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CHEMISTRY (593 journals)                  1 2 3 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
2D Materials     Hybrid Journal   (Followers: 8)
Accreditation and Quality Assurance: Journal for Quality, Comparability and Reliability in Chemical Measurement     Hybrid Journal   (Followers: 26)
ACS Catalysis     Full-text available via subscription   (Followers: 34)
ACS Chemical Neuroscience     Full-text available via subscription   (Followers: 18)
ACS Combinatorial Science     Full-text available via subscription   (Followers: 23)
ACS Macro Letters     Full-text available via subscription   (Followers: 23)
ACS Medicinal Chemistry Letters     Full-text available via subscription   (Followers: 39)
ACS Nano     Full-text available via subscription   (Followers: 234)
ACS Photonics     Full-text available via subscription   (Followers: 11)
ACS Synthetic Biology     Full-text available via subscription   (Followers: 21)
Acta Chemica Iasi     Open Access   (Followers: 2)
Acta Chimica Sinica     Full-text available via subscription   (Followers: 1)
Acta Chimica Slovaca     Open Access   (Followers: 1)
Acta Chromatographica     Full-text available via subscription   (Followers: 9)
Acta Facultatis Medicae Naissensis     Open Access  
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 5)
Acta Scientifica Naturalis     Open Access   (Followers: 2)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 5)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 7)
Adsorption Science & Technology     Full-text available via subscription   (Followers: 5)
Advanced Functional Materials     Hybrid Journal   (Followers: 50)
Advanced Science Focus     Free   (Followers: 3)
Advances in Chemical Engineering and Science     Open Access   (Followers: 55)
Advances in Chemical Science     Open Access   (Followers: 13)
Advances in Chemistry     Open Access   (Followers: 14)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 18)
Advances in Drug Research     Full-text available via subscription   (Followers: 22)
Advances in Enzyme Research     Open Access   (Followers: 9)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 15)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 8)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 19)
Advances in Nanoparticles     Open Access   (Followers: 15)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 15)
Advances in Polymer Science     Hybrid Journal   (Followers: 41)
Advances in Protein Chemistry     Full-text available via subscription   (Followers: 18)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 19)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 5)
Advances in Science and Technology     Full-text available via subscription   (Followers: 12)
African Journal of Bacteriology Research     Open Access  
African Journal of Chemical Education     Open Access   (Followers: 2)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 7)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Alkaloids: Chemical and Biological Perspectives     Full-text available via subscription   (Followers: 3)
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 69)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 14)
American Journal of Chemistry     Open Access   (Followers: 26)
American Journal of Plant Physiology     Open Access   (Followers: 14)
American Mineralogist     Hybrid Journal   (Followers: 14)
Analyst     Full-text available via subscription   (Followers: 40)
Angewandte Chemie     Hybrid Journal   (Followers: 204)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 214)
Annales UMCS, Chemia     Open Access   (Followers: 1)
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 2)
Annual Reports in Computational Chemistry     Full-text available via subscription   (Followers: 3)
Annual Reports Section A (Inorganic Chemistry)     Full-text available via subscription   (Followers: 4)
Annual Reports Section B (Organic Chemistry)     Full-text available via subscription   (Followers: 8)
Annual Review of Chemical and Biomolecular Engineering     Full-text available via subscription   (Followers: 12)
Annual Review of Food Science and Technology     Full-text available via subscription   (Followers: 15)
Anti-Infective Agents     Hybrid Journal   (Followers: 3)
Antiviral Chemistry and Chemotherapy     Hybrid Journal  
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 7)
Applied Spectroscopy     Full-text available via subscription   (Followers: 23)
Applied Surface Science     Hybrid Journal   (Followers: 28)
Arabian Journal of Chemistry     Open Access   (Followers: 6)
ARKIVOC     Open Access   (Followers: 2)
Asian Journal of Biochemistry     Open Access   (Followers: 1)
Atomization and Sprays     Full-text available via subscription   (Followers: 4)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 7)
Autophagy     Hybrid Journal   (Followers: 2)
Avances en Quimica     Open Access   (Followers: 1)
Biochemical Pharmacology     Hybrid Journal   (Followers: 10)
Biochemistry     Full-text available via subscription   (Followers: 293)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 6)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 9)
Bioinspired Materials     Open Access   (Followers: 5)
Biointerface Research in Applied Chemistry     Open Access   (Followers: 2)
Biointerphases     Open Access   (Followers: 1)
Biology, Medicine, & Natural Product Chemistry     Open Access   (Followers: 1)
Biomacromolecules     Full-text available via subscription   (Followers: 19)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 10)
Biomedical Chromatography     Hybrid Journal   (Followers: 6)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 3)
BioNanoScience     Partially Free   (Followers: 4)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 124)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 98)
Bioorganic Chemistry     Hybrid Journal   (Followers: 10)
Biopolymers     Hybrid Journal   (Followers: 18)
Biosensors     Open Access   (Followers: 2)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 1)
Bitácora Digital     Open Access  
Boletin de la Sociedad Chilena de Quimica     Open Access  
Bulletin of the Chemical Society of Ethiopia     Open Access   (Followers: 2)
Bulletin of the Chemical Society of Japan     Full-text available via subscription   (Followers: 24)
Bulletin of the Korean Chemical Society     Hybrid Journal   (Followers: 1)
C - Journal of Carbon Research     Open Access   (Followers: 3)
Cakra Kimia (Indonesian E-Journal of Applied Chemistry)     Open Access  
Canadian Association of Radiologists Journal     Full-text available via subscription   (Followers: 3)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 10)
Canadian Mineralogist     Full-text available via subscription   (Followers: 3)
Carbohydrate Research     Hybrid Journal   (Followers: 26)
Carbon     Hybrid Journal   (Followers: 66)
Catalysis for Sustainable Energy     Open Access   (Followers: 7)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 8)
Catalysis Science and Technology     Free   (Followers: 6)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 3)
Catalysts     Open Access   (Followers: 8)
Cellulose     Hybrid Journal   (Followers: 7)
Cereal Chemistry     Full-text available via subscription   (Followers: 4)
ChemBioEng Reviews     Full-text available via subscription   (Followers: 1)
ChemCatChem     Hybrid Journal   (Followers: 8)
Chemical and Engineering News     Free   (Followers: 13)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Full-text available via subscription   (Followers: 71)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 23)
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 3)
Chemical Research in Toxicology     Full-text available via subscription   (Followers: 19)
Chemical Reviews     Full-text available via subscription   (Followers: 176)
Chemical Science     Open Access   (Followers: 22)
Chemical Technology     Open Access   (Followers: 16)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 5)
Chemical Week     Full-text available via subscription   (Followers: 8)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 57)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 26)
ChemInform     Hybrid Journal   (Followers: 8)
Chemistry & Biodiversity     Hybrid Journal   (Followers: 6)
Chemistry & Biology     Full-text available via subscription   (Followers: 30)
Chemistry & Industry     Hybrid Journal   (Followers: 5)
Chemistry - A European Journal     Hybrid Journal   (Followers: 143)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 15)
Chemistry and Materials Research     Open Access   (Followers: 18)
Chemistry Central Journal     Open Access   (Followers: 4)
Chemistry Education Research and Practice     Free   (Followers: 5)
Chemistry in Education     Open Access   (Followers: 9)
Chemistry International     Hybrid Journal   (Followers: 2)
Chemistry Letters     Full-text available via subscription   (Followers: 45)
Chemistry of Materials     Full-text available via subscription   (Followers: 260)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 9)
Chemistry World     Full-text available via subscription   (Followers: 22)
Chemistry-Didactics-Ecology-Metrology     Open Access   (Followers: 1)
ChemistryOpen     Open Access   (Followers: 2)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
Chemoecology     Hybrid Journal   (Followers: 3)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 15)
Chemosensors     Open Access  
ChemPhysChem     Hybrid Journal   (Followers: 9)
ChemPlusChem     Hybrid Journal   (Followers: 2)
ChemTexts     Hybrid Journal  
CHIMIA International Journal for Chemistry     Full-text available via subscription   (Followers: 2)
Chinese Journal of Chemistry     Hybrid Journal   (Followers: 6)
Chinese Journal of Polymer Science     Hybrid Journal   (Followers: 10)
Chromatographia     Hybrid Journal   (Followers: 24)
Clay Minerals     Full-text available via subscription   (Followers: 10)
Cogent Chemistry     Open Access  
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 10)
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 7)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 4)
Combustion Science and Technology     Hybrid Journal   (Followers: 18)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 2)
Composite Interfaces     Hybrid Journal   (Followers: 6)
Comprehensive Chemical Kinetics     Full-text available via subscription   (Followers: 2)
Comptes Rendus Chimie     Full-text available via subscription  
Comptes Rendus Physique     Full-text available via subscription   (Followers: 1)
Computational and Theoretical Chemistry     Hybrid Journal   (Followers: 9)
Computational Biology and Chemistry     Hybrid Journal   (Followers: 12)
Computational Chemistry     Open Access   (Followers: 2)
Computers & Chemical Engineering     Hybrid Journal   (Followers: 9)
Coordination Chemistry Reviews     Full-text available via subscription   (Followers: 2)
Copernican Letters     Open Access   (Followers: 1)
Critical Reviews in Biochemistry and Molecular Biology     Hybrid Journal   (Followers: 5)
Crystal Structure Theory and Applications     Open Access   (Followers: 3)
CrystEngComm     Full-text available via subscription   (Followers: 12)
Current Catalysis     Hybrid Journal   (Followers: 2)
Current Metabolomics     Hybrid Journal   (Followers: 5)
Current Opinion in Colloid & Interface Science     Hybrid Journal   (Followers: 9)
Current Research in Chemistry     Open Access   (Followers: 8)
Current Science     Open Access   (Followers: 58)
Dalton Transactions     Full-text available via subscription   (Followers: 22)
Detection     Open Access   (Followers: 2)
Developments in Geochemistry     Full-text available via subscription   (Followers: 2)
Diamond and Related Materials     Hybrid Journal   (Followers: 12)
Dislocations in Solids     Full-text available via subscription  
Doklady Chemistry     Hybrid Journal  
Drying Technology: An International Journal     Hybrid Journal   (Followers: 4)
Eclética Química     Open Access   (Followers: 1)
Ecological Chemistry and Engineering S     Open Access   (Followers: 4)
Ecotoxicology and Environmental Contamination     Open Access  
Educación Química     Open Access   (Followers: 1)
Education for Chemical Engineers     Hybrid Journal   (Followers: 5)
EJNMMI Radiopharmacy and Chemistry     Open Access  
Elements     Full-text available via subscription   (Followers: 2)
Environmental Chemistry     Hybrid Journal   (Followers: 9)
Environmental Chemistry Letters     Hybrid Journal   (Followers: 4)
Environmental Science & Technology Letters     Full-text available via subscription   (Followers: 5)
Environmental Science : Nano     Partially Free   (Followers: 1)
Environmental Toxicology & Chemistry     Hybrid Journal   (Followers: 18)

        1 2 3 | Last

Journal Cover Applied Surface Science
  [SJR: 0.93]   [H-I: 125]   [28 followers]  Follow
   Hybrid Journal Hybrid journal (It can contain Open Access articles)
   ISSN (Print) 0169-4332
   Published by Elsevier Homepage  [3044 journals]
  • Highly adhesive and high fatigue-resistant copper/PET flexible electronic
    • Authors: Sang Jin Park; Tae-Jun Ko; Juil Yoon; Myoung-Woon Moon; Kyu Hwan Oh; Jun Hyun Han
      Pages: 1 - 9
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Sang Jin Park, Tae-Jun Ko, Juil Yoon, Myoung-Woon Moon, Kyu Hwan Oh, Jun Hyun Han
      A voidless Cu/PET substrate is fabricated by producing a superhydrophilic PET surface comprised of nanostructures with large width and height and then by Cu electroless plating. Effect of PET surface nanostructure size on the failure mechanism of the Cu/PET substrate is studied. The fabricated Cu/PET substrate exhibits a maximum peel strength of 1300Nm−1 without using an interlayer, and virtually no increase in electrical resistivity under the extreme cyclic bending condition of 1mm curvature radius after 300k cycles. The authors find that there is an optimum nanostructure size for the highest Cu/PET adhesion strength, and the failure mechanism of the Cu/PET flexible substrate depends on the PET surface nanostructure size. Thus, this work presents the possibility to produce flexible metal/polymer electronic substrates that have excellent interfacial adhesion between the metal and polymer and high fatigue resistance against repeated bending. Such metal/polymer substrates provides new design opportunities for wearable electronic devices that can withstand harsh environments and have extended lifetimes.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.195
      Issue No: Vol. 427 (2017)
  • A novel TFC forward osmosis (FO) membrane supported by polyimide (PI)
           microporous nanofiber membrane
    • Authors: Xiang-Yu Chi; Ping-Yun Zhang; Xue-Jiao Guo; Zhen-Liang Xu
      Pages: 1 - 9
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Xiang-Yu Chi, Ping-Yun Zhang, Xue-Jiao Guo, Zhen-Liang Xu
      A novel interfacial polymerization (IP) procedure on polyimide (PI) microporous nanofiber membrane support with mean pore size 1.27μm was reported. Using m-phenylenediamine (MPD) as aqueous phase monomer, trimesoyl chloride (TMC) as organic phase monomer, ethanol as aqueous phase co-solvent, thin-film composite (TFC) forward osmosis (FO) membrane was fabricated by two IP procedures. The first IP procedure with the unconventional order (ie, the membrane was immersed in the TMC organic phase first, then in the co-solvent ethanol-water MPD aqueous phase) was used to diminish the pore size of PI microporous nanofiber membrane support for the formation of the polyamide layer. The secondary IP procedure was employed to form the relatively dense polyamide layer with conventional order (ie, the membrane was immersed in the co-solvent ethanol-water MPD aqueous phase first, then in the TMC organic phase). The experimental results showed that higher ethanol concentration led to the relatively higher pure water permeability in RO process and osmotic water flux in FO process, whereas NaCl rejection in RO process decreased and reverse salt flux increased. The specific salt flux (Js/Jv) of TFC FO PI nanofiber membrane (PIN-2-4) could be as low as 0.095g/L in FO mode. These results could be attributed to influence of the addition of ethanol into aqueous phase on the surface morphology, hydrophilicity and polyamide layer structure.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.07.259
      Issue No: Vol. 427 (2017)
  • Tunable Rashba spin splitting in two-dimensional graphene/As-I
    • Authors: Niannian Yu; Junhui Yuan; Kaixuan Li; Jiafu Wang
      Pages: 10 - 14
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Niannian Yu, Junhui Yuan, Kaixuan Li, Jiafu Wang
      Interlayer distance induced Rashba spin splitting is predicted in graphene and monolayer iodinated arsenene (As-I) van der Waals heterostructures based on first-principle calculations. The equilibrium structure of graphene/As-I exhibits a linear Dirac-like dispersion relation at K point in Brillouin zone. With the change of interlayer distance, large and tunable Rashba spin splitting can be realized from zero to more than 100meV. Projected band structure analysis is performed, which indicates a strong relation between the extent of band splitting and the hybridization of C and As orbitals near the Fermi level. Meanwhile, charge density difference calculations reveal a pronounce charge transfer between graphene and As-I with varying interlayer distances, leading to the change of built-in electric filed along z direction that modifies the electronic structures significantly. Our work may make a special contribution to the realization and application of spintronic devices based on van der Waals heterostructures.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.188
      Issue No: Vol. 427 (2017)
  • Fabrication mechanism and photocatalytic activity for a novel graphene
           oxide hybrid functionalized with tetrakis-(4-hydroxylphenyl)porphyrin and
           1-pyrenesulfonic acid
    • Authors: Qiang Luo; Riyue Ge; Shi-Zhao Kang; Lixia Qin; Guodong Li; Xiangqing Li
      Pages: 15 - 23
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Qiang Luo, Riyue Ge, Shi-Zhao Kang, Lixia Qin, Guodong Li, Xiangqing Li
      A new type of nanohybrid (GO/THPP/PSA) was noncovalently constructed by anchoring 5, 10, 15, 20-tetrakis-(4-hydroxylphenyl)porphyrin (THPP) and 1-pyrenesulfonic acid hydrate (PSA) in graphene oxide (GO). The assembly mechanism of the nanohybrid was explored in detail. The results showed that THPP and PSA were attached in the GO by π–π stacking interaction and hydrogen bond. Compared with pure GO, GO/THPP or GO/PSA, the GO/THPP/PSA nanohybrid showed better photocatalytic activity for hydrogen evolution. The mechanism of electron transfer in the GO/THPP/PSA nanohybrid was investigated. It was shown that light absorption and separation of electron/hole pairs were improved dramatically due to wider light response and multi-channel electrons transfer in the hybrid. The results could initiate new ideas for constructing other graphene-based functionalized materials with high photocatalytic activity.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.152
      Issue No: Vol. 427 (2017)
  • Antibacterial surface modified of novel nanocomposite sulfonated
           polyethersulfone/polyrhodanine membrane
    • Authors: Abbas Babaei Rostam; Majid Peyravi; Mohsen Ghorbani; Mohsen Jahanshahi
      Pages: 17 - 28
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Abbas Babaei Rostam, Majid Peyravi, Mohsen Ghorbani, Mohsen Jahanshahi
      In this study, sulfonated-polyethersulfone/polyrhodanine (SPES/PRh) membranes with antibacterial behavior were fabricated. Polyethersulfone (PES) sulfonation was performed to enhance its hydrophilicity and next polyrhodanine nanoparticles (PRhNPs) were synthesized along with the sulfonated PES (SPES) by polyrhodanine (PRh) in situ polymerization. The sulfonation step also helps making composite membrane due to development of probable bondings and polymers engagements. The constructed membranes characterization was performed by FTIR, FESEM, contact angle, 1H NMR, TGA and EDS analyses. SPES/PRh membrane had enhanced hydrophilicity and consequently better fluxes for aqueous solutions. The composite SPES/PRh membrane flux was improved to 139/78L/m2 h comparing 58.21L/m2 h for SPES one. Membrane operational performances, antibacterial and antibiofouling tests showed improved flux, better rejection and appropriate antibacterial and antibiofouling properties for SPES/PRh membrane. The 100% bacteria mortality for specified concentrations and appropriate inhibition zones up to 9mm have been achieved. It is generally a suitable membrane to provide proper performance beside antibacterial and antibiofouling behavior.

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.025
      Issue No: Vol. 427 (2017)
  • The promotional role of Ni in FeVO4/TiO2 monolith catalyst for selective
           catalytic reduction of NOx with NH3
    • Authors: Ganxue Wu; Xi Feng; Hailong Zhang; Yanhua Zhang; Jianli Wang; Yaoqiang Chen; Yi Dan
      Pages: 24 - 36
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Ganxue Wu, Xi Feng, Hailong Zhang, Yanhua Zhang, Jianli Wang, Yaoqiang Chen, Yi Dan
      The promotional effect of nickel additive on the catalytic performance of the representative FeVO4/TiO2 for NH3-SCR reaction is systematically studied for the first time in the present work. The experimental results showed that NO x conversion at low temperature and N2 selectivity could be significantly improved by Ni doping and 0.4Ni-FeV-Ti exhibited the highest NO x removal efficiency. Analysis by XRD, SEM/HR-TEM, Raman, TPD, DRIFTS, TPR and XPS showed that nickel doping effectively promoted the interaction of FeVO4 nanoparticles with TiO2, consequently resulting in an enhanced acidity property, improved redox activity and giving rise to the formation of the surface oxygen vacancies and defect sites.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.135
      Issue No: Vol. 427 (2017)
  • Effect of Li doping on the electric and pyroelectric properties of ZnO
           thin films
    • Authors: L.M. Trinca; A.C. Galca; A.G. Boni; M. Botea; L. Pintilie
      Pages: 29 - 37
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): L.M. Trinca, A.C. Galca, A.G. Boni, M. Botea, L. Pintilie
      Un-doped ZnO (UDZO) and Li-doped ZnO (LZO) polycrystalline thin films were grown on platinized silicon by pulsed laser deposition (PLD). The electrical properties were investigated on as-grown and annealed UDZO and LZO films with capacitor configuration, using top and bottom platinum electrodes. In the case of the as-grown films it was found that the introduction of Li increases the resistivity of ZnO and induces butterfly shape in the C-V characteristic, suggesting ferroelectric-like behavior in LZO films. The properties of LZO samples does not significantly changes after thermal annealing while the properties of UDZO samples show significant changes upon annealing, manifested in a butterfly shape of the C-V characteristic and resistive-like switching. However, the butterfly shape disappears if long delay time is used in the C-V measurement, the characteristic remaining non-linear. Pyroelectric signal could be measured only on annealed films. Comparing the UDZO results with those obtained in the case of Li:ZnO, it was found that the pyroelectric properties are considerably enhanced by Li doping, leading to pyroelectric signal with about one order of magnitude larger at low modulation frequencies than for un-doped samples. Although the results of this study hint towards a ferroelectric-like behavior of Li doped ZnO, the presence of real ferroelectricity in this material remains controversial.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.009
      Issue No: Vol. 427 (2017)
  • Surface modification of thin film composite reverse osmosis membrane by
           glycerol assisted oxidation with sodium hypochlorite
    • Authors: Hiren D. Raval; Mohit D. Samnani; Maulik V. Gauswami
      Pages: 37 - 44
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Hiren D. Raval, Mohit D. Samnani, Maulik V. Gauswami
      Need for improvement in water flux of thin film composite (TFC) RO membrane has been appreciated by researchers world over and surface modification approach is found promising to achieve higher water flux and solute rejection. Thin film composite RO membrane was exposed to 2000mg/l sodium hypochlorite solution with varying concentrations of glycerol ranging from 1 to 10%. It was found that there was a drop in concentration of sodium hypochlorite after the addition of glycerol because of a new compound resulted from the oxidation of glycerol with sodium hypochlorite. The water flux of the membrane treated with 1% glycerol with 2000mg/l sodium hypochlorite for 1h was about 22% more and salt rejection was 1.36% greater than that of only sodium hypochlorite treated membrane for the same concentration and time. There was an increase in salt rejection of membrane with increase in concentration of glycerol from 1% to 5%, however, increasing glycerol concentration further up to 10%, the salt rejection declined. The water flux was found declining from 1% glycerol solution to 10% glycerol solution. The membrane samples were characterized to understand the change in chemical structure and morphology of the membrane.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.132
      Issue No: Vol. 427 (2017)
  • Improved antifouling performance of ultrafiltration membrane via preparing
           novel zwitterionic polyimide
    • Authors: Haitao Huang; Jiayu Yu; Hanxiang Guo; Yibo Shen; Fan Yang; Han Wang; Rong Liu; Yang Liu
      Pages: 38 - 47
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Haitao Huang, Jiayu Yu, Hanxiang Guo, Yibo Shen, Fan Yang, Han Wang, Rong Liu, Yang Liu
      On the basis of the outstanding fouling resistance of zwitterionic polymers, an antifouling ultrafiltration membrane was fabricated through phase inversion induced by immersion precipitation method, directly using the novel zwitterionic polyimide (Z-PI), which was synthesized via a two-step procedure including polycondensation and quaternary amination reaction, as membrane material. The chemical structure and composition of the obtained polymer were confirmed by using FTIR, 1H NMR and XPS analysis, and its thermal stability was thoroughly characterized by TGA measurement, respectively. The introduction of zwitterionic groups into polyimide could effectively increase membrane pore size, porosity and wettability, and convert the membrane surface from hydrophobic to highly hydrophilic. As a result, Z-PI membrane displayed significantly improved water permeability compared with that of the reference polyimide (R-PI) membrane without having an obvious compromise in protein rejection. According to the static adsorption and dynamic cycle ultrafiltration experiments of bovine serum albumin (BSA) solution, Z-PI membrane exhibited better fouling resistant ability, especially irreversible fouling resistant ability, suggesting superior antifouling property and long-term performance stability. Moreover, Z-PI membrane had a water flux recovery ratio of 93.7% after three cycle of BSA solution filtration, whereas only about 68.5% was obtained for the control R-PI membrane. These findings demonstrated the advantages of Z-PI membrane material and aimed to provide a facile and scalable method for the large-scale preparation of low fouling ultrafiltration membranes for potential applications.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.004
      Issue No: Vol. 427 (2017)
  • Low temperature NH3-SCR of NO over an unexpected Mn-based catalyst:
           Promotional effect of Mg doping
    • Authors: De Fang; Feng He; Xiaoqing Liu; Kai Qi; Junlin Xie; Fengxiang Li; Chongqinq Yu
      Pages: 45 - 55
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): De Fang, Feng He, Xiaoqing Liu, Kai Qi, Junlin Xie, Fengxiang Li, Chongqinq Yu
      MnOx/TiO2 catalysts doped with Mg have been prepared with the impregnation method. Surprisingly, 7% Mg-MnOx/TiO2 catalyst containing more Mn3+ ions showed superior low-temperature SCR activity and stability. Mg doping resulted in some adverse effects on the phases, BET surface areas, reducibility, NH3 adsorption, and morphology structures. However, according to the SCR performance, these effects were thought to be rather limited in comparison with the catalytic properties of MgMn2O4 which might stem from the enhancement of NH3-SCR activity and stability. Meanwhile, based on the in situ DRIFTS tests, the NH3-SCR reaction route of MnOx/TiO2 and Mg doped MnOx/TiO2 catalysts depended on the kind of gas (NH3 or NO) pre-adsorbed on the catalyst.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.088
      Issue No: Vol. 427 (2017)
  • Selective AuCl3 doping of graphene for reducing contact resistance of
           graphene devices
    • Authors: Dong-Chul Choi; Minwoo Kim; Young Jae Song; Sajjad Hussain; Woo-Seok Song; Ki-Seok An; Jongwan Jung
      Pages: 48 - 54
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Dong-Chul Choi, Minwoo Kim, Young Jae Song, Sajjad Hussain, Woo-Seok Song, Ki-Seok An, Jongwan Jung
      Low contact resistance between metal-graphene contacts remains a well-known challenge for building high-performance two dimensional materials devices. In this study, CVD-grown graphene film was doped via AuCl3 solution selectively only to metal (Ti/Au) contact area to reduce the contact resistances without compromising the channel properties of graphene. With 10mM-AuCl3 doping, doped graphene exhibited low contact resistivity of ∼897Ωμm, which is lower than that (∼1774Ωμm) of the raw graphene devices. The stability of the contact resistivity in atmospheric environment was evaluated. The contact resistivity increased by 13% after 60days in an air environment, while the sheet resistance of doped graphene increased by 50% after 30 days. The improved stability of the contact resistivity of AuCl3-doped graphene could be attributed to the fact that the surface of doped-graphene is covered by Ti/Au electrode and the metal prevents the diffusion of AuCl3.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.301
      Issue No: Vol. 427 (2017)
  • Characterization of low-dose doxorubicin-loaded silica-based
    • Authors: Magdalena Prokopowicz
      Pages: 55 - 63
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Magdalena Prokopowicz
      In this study, we synthesized multicomponent solid films of low-dose doxorubicin (DOX)-loaded polydimethylsiloxane (PDMS)-SiO2/CaP nanocomposites via sol–gel process combined with the method of evaporation-induced self-assembly (EISA) at low temperature. Nanomechanical properties (elasticity and adhesion) of the synthesized multicomponent films were determined by using atomic force microscopy with a PeakForce™ quantitative nanomechanical mapping imaging technique. Solid state of DOX in the synthesized films was studied by using UV–vis and fluorescence spectroscopy. The release profile of different concentrations of DOX loaded (1, 3, and 5wt%) on the multicomponent films was assessed using USP Apparatus 4 and via UV–vis end analysis. Results indicate drug–component interactions on the overall morphology of domains (size and shape), nanomechanical properties, and release behavior of the DOX-loaded nanocomposites. We observed a progressive increase in surface roughness and mean adhesive value with increasing concentration of DOX loaded (0–5wt%). In addition, for all the different concentrations of DOX-loaded, we observed a diffusion-controlled drug release.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.006
      Issue No: Vol. 427 (2017)
  • Effective preparation of magnetic superhydrophobic Fe3O4/PU sponge for
           oil-water separation
    • Authors: Zeng-Tian Li; Bo Lin; Li-Wang Jiang; En-Chao Lin; Jian Chen; Shi-Jie Zhang; Yi-Wen Tang; Fu-An He; De-Hao Li
      Pages: 56 - 64
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Zeng-Tian Li, Bo Lin, Li-Wang Jiang, En-Chao Lin, Jian Chen, Shi-Jie Zhang, Yi-Wen Tang, Fu-An He, De-Hao Li
      Fe3O4 nanoparticles were modified by tetraethoxysilane and different amounts of trimethoxy (1H,1H,2H,2H-heptadecafluorodecyl) silane in sequence to obtain the magnetic nanoparticles with low surface energy, which could be used to construct the superhydrophobic surfaces for PU sponge, cotton fabric, and filter paper by a simple drop-coating method. Particularly, all the resultant Fe3O4/PU sponges containing different fluoroalkylsilane-modified Fe3O4 nanoparticles possessed both high water repellency with contact angle in the range of 150.2–154.7° and good oil affinity, which could not only effectively remove oil from water followed by convenient magnetic recovery but also easily realize the oil-water separation as a filter only driven by gravity. The Fe3O4/PU sponges showed high absorption capability of peanut oil, pump oil, and silicone oil with the maximum absorptive capacities of 40.3, 39.3, and 46.3g/g, respectively. Such novel sponges might be a potential candidate for oil-water separation as well as oil absorption and transportation accompanied by the advantages of simple process, remote control by magnetic field, and low energy consumption.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.183
      Issue No: Vol. 427 (2017)
  • Preparation of p-type GaN-doped SnO2 thin films by e-beam evaporation and
           their applications in p–n junction
    • Authors: Shuliang Lv; Yawei Zhou; Wenwu Xu; Wenfeng Mao; Lingtao Wang; Yong Liu; Chunqing He
      Pages: 64 - 68
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Shuliang Lv, Yawei Zhou, Wenwu Xu, Wenfeng Mao, Lingtao Wang, Yong Liu, Chunqing He
      Various transparent GaN-doped SnO2 thin films were deposited on glass substrates by e-beam evaporation using GaN:SnO2 targets of different GaN weight ratios. It is interesting to find that carrier polarity of the thin films was converted from n-type to p-type with increasing GaN ratio higher than 15wt.%. The n–p transition in GaN-doped SnO2 thin films was explained for the formation of GaSn and NO with increasing GaN doping level in the films, which was identified by Hall measurement and XPS analysis. A transparent thin film p–n junction was successfully fabricated by depositing p-type GaN:SnO2 thin film on SnO2 thin film, and a low leakage current (6.2×10−5 A at −4V) and a low turn-on voltage of 1.69V were obtained for the p–n junction.

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.297
      Issue No: Vol. 427 (2017)
  • Transformation of silver nanowires into nanoparticles by Rayleigh
           instability: Comparison between laser irradiation and heat treatment
    • Authors: Harim Oh; Jeeyoung Lee; Myeongkyu Lee
      Pages: 65 - 73
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Harim Oh, Jeeyoung Lee, Myeongkyu Lee
      We comparatively study the morphological evolutions of silver nanowires under nanosecond-pulsed laser irradiation and thermal treatment in ambient air. While single-crystalline, pure Ag nanospheres could be produced by laser-driven Rayleigh instability, the particles produced by heat treatment were subject to oxidation and exhibited polyhedron shapes. The different results are attributed to the significantly different time scales of the two processes. In this article, we also show that bimetallic Ag-Au nanospheres can be synthesized by irradiating Ag nanowires coated with a thin Au film using a pulsed laser beam. This may provide a facile route to tune the plasmonic behavior of metal nanoparticles.
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      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.102
      Issue No: Vol. 427 (2017)
  • Flame retardant and hydrophobic properties of novel sol-gel derived phytic
           acid/silica hybrid organic-inorganic coatings for silk fabric
    • Authors: Xian-Wei Cheng; Cheng-Xi Liang; Jin-Ping Guan; Xu-Hong Yang; Ren-Cheng Tang
      Pages: 69 - 80
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Xian-Wei Cheng, Cheng-Xi Liang, Jin-Ping Guan, Xu-Hong Yang, Ren-Cheng Tang
      In this work, a novel phosphorus-rich hybrid organic-inorganic silica coating for improving the flame retardancy of silk fabric was prepared using naturally occurring phytic acid as phosphorus precursor and catalyst for the hydrolysis of tetraethoxysilane. In addition, three silane coupling agents, namely 3-aminopropyldimethoxymethylsilane, 3-chloropropyltrimethoxysilane and 3-methacryloxypropyltrimethoxysilane, were added in the hybrid sol as cross-linkers with the aim of developing hydrophobic coatings and improving the washing durability of the treated silk fabric. The condensation degree of the hybrid sol was characterized by solid-state 29Si nuclear magnetic resonance spectroscopy. The flammability and thermal degradation properties of the treated silk fabrics were determined in terms of limiting oxygen index, vertical burning, pyrolysis combustion flow calorimetry and thermogravimetric analyses. The surface morphology and hydrophobicity of the treated silk fabrics were evaluated by scanning electron microscopy, atomic force microscopy and water contact angle tests. The flammability tests revealed that the silicon sol could endow silk fabric with excellent flame retardancy when doped with phytic acid, and the treated silk fabrics self-extinguished immediately when the ignition source was removed. The silk fabrics treated with the modified hybrid sols exhibited hydrophobic surface and also better durability to washing.
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      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.021
      Issue No: Vol. 427 (2017)
  • Mussel-inspired tough hydrogels with self-repairing and tissue adhesion
    • Authors: Zijian Gao; Lijie Duan; Yongqi Yang; Wei Hu; Guanghui Gao
      Pages: 74 - 82
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Zijian Gao, Lijie Duan, Yongqi Yang, Wei Hu, Guanghui Gao
      The mussel-inspired polymeric hydrogels have been attractively explored owing to their self-repairing or adhesive property when the catechol groups of dopamine could chelate metal ions. However, it was a challenge for self-repairing hydrogels owning high mechanical properties. Herein, a synergistic strategy was proposed by combining catechol-Fe3+ complexes and hydrophobic association. The resulting hydrogels exhibited seamless self-repairing behavior, tissue adhesion and high mechanical property. Moreover, the pH-dependent stoichiometry of catechol-Fe3+ and temperature-sensitive hydrophobic association endue hydrogels with pH/thermo responsive characteristics. Subsequently, the self-repairing rate and mechanical property of hydrogels were investigated at different pH and temperature. This bio-inspired strategy would build an avenue for designing and constructing a new generation of self-repairing, tissue-adhesive and tough hydrogel.
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      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.157
      Issue No: Vol. 427 (2017)
  • Fabrication of Eu-TiO2 NCs functionalized cotton textile as a
           multifunctional photocatalyst for dye pollutants degradation
    • Authors: Daniela Caschera; Fulvio Federici; Tilde de Caro; Barbara Cortese; Pietro Calandra; Alessio Mezzi; Raffaella Lo Nigro; Roberta G. Toro
      Pages: 81 - 91
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Daniela Caschera, Fulvio Federici, Tilde de Caro, Barbara Cortese, Pietro Calandra, Alessio Mezzi, Raffaella Lo Nigro, Roberta G. Toro
      A modified one step and cost-effective chemical green route has been used to synthesize oleate-capped TiO2 anatase nanocrystals (NCs) doped with different amounts of europium, with high yields and without high-temperature post-calcination processes. Europium doping endowed TiO2 NCs with an intense red luminescence associated with the 5D0 → 7F2 transition of the electronic structure of Eu3+ and was responsible for both the morphological change of the NCs structure (from nanorods to spherical nanoparticles) and the blue shift in the absorption edge respect to the undoped TiO2 NCs. Furthermore, photocatalytic experiments revealed that a low-content (0.5mol%) Eu3+ doped TiO2 NCs showed the best ability as photocatalyst for the degradation of methylene blue (MB) under both UV and visible light irradiation, even if all the Eu3+ doped oleate-capped TiO2 NCs were more effective under visible light. Moreover, taking advantage of their photocatalytic activity, the 0.5% Eu3+ doped oleate-capped TiO2 photocatalysts has been employed on cotton fabrics. Our results highlighted that functionalization of cotton textile with Eu3+ doped oleate-capped TiO2 NCs imparted new functionalities, such as a high photocatalytic activity toward MB degradation under visible light. In addition, it determined also the change in the wetting behaviour of cotton that switches to a superhydrophobic nature. The obtained fabric also showed stable and robust superhydrophobicity against strong acid and alkaline environments. Multifunctional materials having simultaneously luminescence, superhydrophobicity and visible light photocatalysis are expected to be very useful in many technological applications.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.015
      Issue No: Vol. 427 (2017)
  • Concave Pd–Ru nanocubes bounded with high active area for boosting
           ethylene glycol electrooxidation
    • Authors: Zhiping Xiong; Hui Xu; Shumin Li; Zhulan Gu; Bo Yan; Jun Guo; Yukou Du
      Pages: 83 - 89
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Zhiping Xiong, Hui Xu, Shumin Li, Zhulan Gu, Bo Yan, Jun Guo, Yukou Du
      This paper reported our extensive efforts in the design of concave PdRu nanocubes via a facile wet-chemical strategy. Different from the previously reported PdRu nanostructures, the as-prepared concave PdRu nanocubes combined the advantages of fascinating nanocube structure, synergistic and electronic effect as well as high surface area. All of these beneficial terms endow them to exhibit superior electrocatalytic activity and long-term stability towards ethylene glycol oxidation as compared with commercial Pd/C. Our work highlights the significance of shape-controlled of PdRu nanostructures over the electrocatalytic performances towards the electrooxidation of ethylene glycol (EG), which will pave up a new strategy for boosting the development of renewable and clean energy technology.
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      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.170
      Issue No: Vol. 427 (2017)
  • Characterization of atmospheric pressure plasma treated wool/cashmere
           textiles: Treatment in nitrogen
    • Authors: Stefano Zanini; Attilio Citterio; Gabriella Leonardi; Claudia Riccardi
      Pages: 90 - 96
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Stefano Zanini, Attilio Citterio, Gabriella Leonardi, Claudia Riccardi
      We performed atmospheric pressure plasma treatments of wool/cashmere (15/85%) textiles with a dielectric barrier discharge (DBD) in nitrogen. The chemical properties of the plasma treated samples were investigated with attenuated total reflectance Fourier transform infrared (FTIR/ATR) spectroscopy, X-ray photoelectron microscopy (XPS), and fatty acid gas chromatographic analysis. Changes in mechanical properties and tactile performance of textiles after the plasma treatment were determined using the KES-F system. The analyses reveal significant surface modification of the treated fabrics, which enhances their surface wettability.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.07.280
      Issue No: Vol. 427 (2017)
  • Vapor-liquid interfacial reaction to fabricate superhydrophilic and
           underwater superoleophobic thiol-ene/silica hybrid decorated fabric for
           oil/water separation
    • Authors: Hongqiang Li; Tao Liang; Xuejun Lai; Xiaojing Su; Lin Zhang; Xingrong Zeng
      Pages: 92 - 101
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Hongqiang Li, Tao Liang, Xuejun Lai, Xiaojing Su, Lin Zhang, Xingrong Zeng
      With oil spill accidents and oil industrial wastewater increasing, oil/water separation has attracted much attention in recent years. Herein, we report the fabrication of superhydrophilic and underwater superoleophobic thiol-ene/silica hybrid decorated fabrics for oil/water separation via vapor-liquid interfacial reaction. It is based on sol-gel reaction of tetraethyl orthosilicate (TEOS) to generate silica and thiol-ene reaction between poly(ethylene glycol) dimethacrylate (PEGDMA) and trimethylolpropane tris(3-mercaptopropionate) (TTMP) to form crosslinked hydrophilic polymer on polyester fabric under the catalysis of butylamine/ammonia vapor. The chemical structure of the surfaces on thiol-ene/silica hybrid decorated fabric was confirmed by FTIR and XPS, and obvious micro-nano morphology and roughness were observed with SEM and AFM. The water contact angle of the fabric attained 0° in 0.36s, and the underwater oil contact angle reached up to 160°. Importantly, the fabric exhibited high separation efficiency at 99.5%, fast water flux above 71600Lm−2 h−1 and excellent recyclability in oil/water separation. Our findings open a new strategy to fabricate organic-inorganic hybrid superhydrophobic and underwater superoleophobic materials for oil/water separation.
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      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.022
      Issue No: Vol. 427 (2017)
  • Study of polymorphism using patterned self-assembled monolayers approach
           on metal substrates
    • Authors: Rosalynn Quiñones; Ryanne T. Brown; Noah Searls; Lauren Richards-Waugh
      Pages: 97 - 105
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Rosalynn Quiñones, Ryanne T. Brown, Noah Searls, Lauren Richards-Waugh
      Polymorphism is a molecule’s ability to possess altered physical crystalline structures and has become an active interest in pharmaceuticals due to its ability to influence a drug’s physical and chemical properties. Crystal stability and solubility are crucial in determining a drug’s pharmacokinetics and pharmacodynamics. Changes in these properties due to polymorphisms have contributed to recalls and modifications in industrial production. For this study, the effects of surface interactions with pharmaceuticals were examined through surface modification methodology using organic phosphonic and sulfonic acid self-assembled monolayers (SAMs) developed on a nickel or zinc oxide metal substrate. Drugs analyzed included carbamazepine, cimetidine, tolfenamic acid, and flufenamic acid. All drugs were thermodynamically applied to the reformed surface to aid in recrystallization. It was hypothesized and confirmed that intermolecular bonds, especially hydrogen bonds between the SAMs and pharmaceutical drugs, were the force that assisted in polymorph development. The study was successful in revealing multiple forms for each drug, including their commercial form and at least one additional form using micro FT-IR, Raman spectroscopy, and PXRD. Visual comparisons of crystal polymorphisms were performed with IR microscopy.
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      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.164
      Issue No: Vol. 427 (2017)
  • Electrochemical behaviour of manganese & ruthenium mixed oxide@
           reduced graphene oxide nanoribbon composite in symmetric and asymmetric
    • Authors: Preety Ahuja; Sanjeev Kumar Ujjain; Rajni Kanojia
      Pages: 102 - 111
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Preety Ahuja, Sanjeev Kumar Ujjain, Rajni Kanojia
      This paper reports the interaction of 3d-4d transition metal mixed oxide as simultaneous existence of M(3d) and M(4d) expectedly enhance the electrochemical performance of the resulting composite. Electrochemical performance of MnO2-RuO2 nanoflakes reduced graphene oxide nanoribbon composite (MnO2-RuO2@GNR) is intensively explored in symmetric and asymmetric supercapacitor assembly. In situ incorporation of graphene oxide nanoribbon (GONR) during synthesis provides efficient binding sites for growth of MnO2-RuO2 nanoflakes via their surface functionalities. The interconnected MnO2-RuO2 nanoflakes via GNR form a network with enhanced diffusion kinetics leading to efficient supercapacitor performance. Fabricated asymmetric supercapacitor reveals energy density 60Whkg−1 at power density 14kWkg−1. Based on the analysis of impedance data in terms of complex power, quick response time of supercapacitor reveals excellent power delivery of the device. Improved cycling stability after 7000 charge discharge cycles for symmetric and asymmetric supercapacitor highlights the buffering action of GNR and can be generalized for next generation high performance supercapacitor.
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      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.028
      Issue No: Vol. 427 (2017)
  • Preparation of bimetallic Cu-Co nanocatalysts on poly
           (diallyldimethylammonium chloride) functionalized halloysite nanotubes for
           hydrolytic dehydrogenation of ammonia borane
    • Authors: Yang Liu; Jun Zhang; Huijuan Guan; Yafei Zhao; Jing-He Yang; Bing Zhang
      Pages: 106 - 113
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Yang Liu, Jun Zhang, Huijuan Guan, Yafei Zhao, Jing-He Yang, Bing Zhang
      In present work, we prepared the bimetallic Cu-Co nanocatalysts on poly (diallyldimethylammonium chloride) functionalized halloysite nanotubes (Cu-Co/PDDA-HNTs) by a deposition-reduction technique at room temperature. The analysis of XRD, SEM, TEM, HAADF-STEM and XPS were employed to systematically investigate the morphology, particle size, structure and surface properties of the nanocomposite. The results reveal that the PDDA coating with thickness of ∼15nm could be formed on the surface of HNTs, and the existence of PDDA is beneficial to deposit Cu and Co nanoparticles (NPs) with high dispersibility on the surface. While the cost-effective nanocomposite was used for the hydrolytic dehydrogenation of ammonia-borane (NH3BH3), the nanocatalyst showed extraordinary catalytic properties with high total turnover frequency of 30.8molH2/(molmetal min), low activation energy of 35.15kJmol−1 and high recycling stability (>90% conversion at 10th reuse). These results indicate that the bimetallic Cu-Co nanocatalysts on PDDA functionalized HNTs have particular potential for application in release hydrogen process.
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      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.171
      Issue No: Vol. 427 (2017)
  • Investigation of carboxylation of carbon nanotube in the adsorption of
           anti-cancer drug: A theoretical approach
    • Authors: Maryam Hesabi; Reza Behjatmanesh-Ardakani
      Pages: 112 - 125
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Maryam Hesabi, Reza Behjatmanesh-Ardakani
      Nowadays, an important process applied in the design of novel composite materials and drug delivery fields is the carboxylation of carbon nanotubes. In this work, we study the interaction of the anti-cancer drug hydroxyurea with carboxyl-functionalized zigzag carbon nanotubes (CNTs) by employing the method of the density functional theory (DFT) at B3LYP and CAM-B3LYP levels in gas and solvent phases. The results show that all complexes are energetically favorable, especially in the aqueous phase. The enthalpy energy values are negative in all cases, which indicate their exothermic adsorption nature. The presence of COOH groups would create enough free space on the nanotube surface for the adsorption between interacting atoms. Thus, these can increase the activity of CNTs. Data indicates that adsorption is dependent on the carboxyl sites of the nanotube as well as on the sites of the drug. Furthermore, the hydrogen-bonding interactions between drug and COOH-CNTs play an important role for the different kinds of adsorption observed.
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      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.044
      Issue No: Vol. 427 (2017)
  • CuNi NPs supported on MIL-101 as highly active catalysts for the
           hydrolysis of ammonia borane
    • Authors: Doudou Gao; Yuhong Zhang; Liqun Zhou; Kunzhou Yang
      Pages: 114 - 122
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Doudou Gao, Yuhong Zhang, Liqun Zhou, Kunzhou Yang
      The catalysts containing Cu, Ni bi-metallic nanoparticles were successfully synthesized by in-situ reduction of Cu2+ and Ni2+ salts into the highly porous and hydrothermally stable metal-organic framework MIL-101 via a simple liquid impregnation method. When the total amount of loading metal is 3×10−4 mol, Cu2Ni1@MIL-101 catalyst shows higher catalytic activity comparing to CuxNiy@MIL-101 with different molar ratio of Cu and Ni (x, y=0, 0.5, 1.5, 2, 2.5, 3). Cu2Ni1@MIL-101 catalyst has the highest catalytic activity comparing to mono-metallic Cu and Ni counterparts and pure bi-metallic CuNi nanoparticles in hydrolytic dehydrogeneration of ammonia borane (AB) at room temperature. Additionally, in the hydrolysis reaction, the Cu2Ni1@MIL- 101 catalyst possesses excellent catalytic performances, which exhibit highly catalytic activity with turn over frequency (TOF) value of 20.9molH2 min−1 Cumol−1 and a very low activation energy value of 32.2kJmol−1. The excellent catalytic activity has been successfully achieved thanks to the strong bi-metallic synergistic effects, uniform distribution of nanoparticles and the bi-functional effects between CuNi nanoparticles and the host of MIL-101. Moreover, the catalyst also displays satisfied durable stability after five cycles for the hydrolytically releasing H2 from AB. The non-noble metal catalysts have broad prospects for commercial applications in the field of hydrogen-stored materials due to the low prices and excellent catalytic activity.
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      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.167
      Issue No: Vol. 427 (2017)
  • Fabricating 3D porous PANI/TiO2–graphene hydrogel for the enhanced
           UV-light photocatalytic degradation of BPA
    • Authors: Fangyuan Chen; Weijia An; Yao Li; Yinghua Liang; Wenquan Cui
      Pages: 123 - 132
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Fangyuan Chen, Weijia An, Yao Li, Yinghua Liang, Wenquan Cui
      Polyaniline (PANI)/TiO2 composite graphene hydrogel was successfully prepared by chemical reduction method. TiO2 and PANI were uniformly dispersed in the three-dimensional network of graphene hydrogels. This rich network of macroscopic structures not only provides desirable conditions for synergistic adsorption and photocatalytic degradation of pollutants, but also improves the chemical stability of composites. Specifically, 80% PANI/TiO2-reduced graphene oxide hydrogel (rGH) can completely degrade BPA in 40min, and BPA was almost completely mineralized into small molecules in 65min. After five cycles of experiments, the degradation rate of PANI/TiO2-rGH for BPA was more than 90%. XPS analysis indicated that there is a strong interaction between PANI and TiO2. Hydrogen bonding between TiO2 and rGH was also demonstrated. Quenching experiments indicated •O2 − and h+ are the main active species in the degradation of BPA by PANI/TiO2-rGH and •OH and h+ are the main active species by PANI/TiO2, suggesting that rGH and PANI acts as a transmitter for e− and h+, respectively.
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      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.146
      Issue No: Vol. 427 (2017)
  • Multicomponent patterned ultrathin carbon nanomembranes by laser ablation
    • Authors: Natalie Frese; Julian Scherr; André Beyer; Andreas Terfort; Armin Gölzhäuser; Norbert Hampp; Daniel Rhinow
      Pages: 126 - 130
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Natalie Frese, Julian Scherr, André Beyer, Andreas Terfort, Armin Gölzhäuser, Norbert Hampp, Daniel Rhinow
      Carbon nanomembranes (CNMs) are a class of two-dimensional materials, which are obtained by electron beam-induced crosslinking of aromatic self-assembled monolayers (SAMs) on solid substrates. CNMs made from a single type of precursor molecule are uniform with homogeneous chemical and physical properties. We have developed a method for the fabrication of internally patterned CNMs resembling a key feature of biological membranes. Direct laser patterning is used to obtain multicomponent patterned SAMs on gold, which are subsequently crosslinked by electron irradiation. We demonstrate that the structure of internally patterned CNMs is preserved upon transfer to different substrates. The method enables rapid fabrication of patterned 2D materials with local variations in chemical and physical properties on the micrometer to centimeter scale.
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      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.303
      Issue No: Vol. 427 (2017)
  • The role of nanocrystalline binder metallic coating into WC after additive
    • Authors: A.J. Cavaleiro; C.M. Fernandes; A.R. Farinha; C.V. Gestel; J. Jhabvala; E. Boillat; A.M.R. Senos; M.T. Vieira
      Pages: 131 - 138
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): A.J. Cavaleiro, C.M. Fernandes, A.R. Farinha, C.V. Gestel, J. Jhabvala, E. Boillat, A.M.R. Senos, M.T. Vieira
      Tungsten carbide with microsized particle powders are commonly used embedded in a tough binder metal. The application of these composites is not limited to cutting tools, WC based material has been increasingly used in gaskets and other mechanical parts with complex geometries. Consequently, additive manufacturing processes as Selective Laser Sintering (SLS) might be the solution to overcome some of the manufacturing problems. However, the use of SLS leads to resolve the problems resulting from difference of physical properties between tungsten carbide and the metallic binder, such as laser absorbance and thermal conductivity. In this work, an original approach of powder surface modification was considered to prepare WC-metal composite powders and overcome these constraints, consisting on the sputter-coating of the WC particle surfaces with a nanocrystalline thin film of metallic binder material (stainless steel). The coating improves the thermal behavior and rheology of the WC particles and, at the same time, ensures a binder homogenous distribution. The feasibility of the SLS technology as manufacturing process for WC powder sputter-coated with 13wt% stainless steel AISI 304L was explored with different laser power and scanning speed parameters. The SLS layers were characterized regarding elemental distribution, phase composition and morphology, and the results are discussed emphasizing the role of the coating on the consolidation process.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.039
      Issue No: Vol. 427 (2017)
  • Laser fabrication of periodic arrays of microsquares on silicon for SERS
    • Authors: Ashwani Kumar Verma; Rupali Das; R.K. Soni
      Pages: 133 - 140
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Ashwani Kumar Verma, Rupali Das, R.K. Soni
      Two dimensional periodic arrays of microsquares of different dimensions are fabricated by direct ns-laser writing on silicon substrate. The micro/nano structures pattern on the Si surface significantly minimizes the optical reflection by light trapping effect, but enhances the SERS signal intensity of analyte dye molecule Rhodamine B (RhB) and Methylene Blue (MB) in presence of gold nanoparticles. The dependence of surface roughness, optical reflection and SERS intensity on the laser pulse energy and line scan interval is investigated. The SEM images clearly show well-ordered features on the surface of patterned Si substrates and aggregation of micro/nanoparticles on the substrate surface. The optical reflection from the patterned surfaces reduces below 11% over a broad range of wavelengths from 300nm to 1200nm. The patterned surface can be used as a reproducible SERS substrate with a spatially uniform enhancement factor of 108. This fabrication method can be employed for preparation of multifunctional surfaces for light trapping in solar cells and for Raman signal amplification for versatile and reproducible SERS sensors.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.143
      Issue No: Vol. 427 (2017)
  • A facile method to enhance the uniformity and adhesion properties of
    • Authors: Hoogil Lee; Hyunkyu Jeon; Seokhyeon Gong; Myung-Hyun Ryou; Yong Min Lee
      Pages: 139 - 146
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Hoogil Lee, Hyunkyu Jeon, Seokhyeon Gong, Myung-Hyun Ryou, Yong Min Lee
      To enhance the uniformity and adhesion properties of water-based ceramic coating layers on hydrophobic polyethylene (PE) separators, their surfaces were treated with thin and hydrophilic polydopamine layers. As a result, an aqueous ceramic coating slurry consisting of Al2O3 particles, carboxyl methyl cellulose (CMC) binders, and water solvent was easily spread on the separator surface, and a uniform ceramic layer was formed after solvent drying. Moreover, the ceramic coating layer showed greatly improved adhesion properties to the PE separator surface. Whereas the adhesion strength within the bulk coating layer (F mid) ranged from 43 to 86Nm−1 depending on the binder content of 1.5–3.0wt%, the adhesion strength at the interface between the ceramic coating layer and PE separator (F sepa-Al2O3) was 245–360Nm−1, a value equivalent to an increase of four or five times. Furthermore, an additional ceramic coating layer of approximately 7μm did not degrade the ionic conductivity and electrochemical properties of the bare PE separators. Thus, all the LiMn2O4/graphite cells with ceramic-coated separators delivered an improved cycle life and rate capability compared with those of the control cells with bare PE separators.

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.276
      Issue No: Vol. 427 (2017)
  • BiVO4/α-Fe2O3 catalytic degradation of gaseous benzene: Preparation,
           characterization and photocatalytic properties
    • Authors: Rong Chen; Chengzhu Zhu; Jun Lu; Jun Xiao; Yu Lei; Zhimin Yu
      Pages: 141 - 147
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Rong Chen, Chengzhu Zhu, Jun Lu, Jun Xiao, Yu Lei, Zhimin Yu
      A new type of composite photocatalyst, BiVO4/α-Fe2O3, was successfully prepared by using hydrothermal-calcinations method and the catalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV–Vis reflection spectrometer (DRS), X-ray photoelectron spectroscopy (XPS), and N2 adsorption–desorption measurement (BET), respectively. It was displayed that the α-Fe2O3 had no effect on the crystal phases of BiVO4 but obviously enhanced the photocatalytic activity of the BiVO4. The composite α-FeOOH/BiVO4 with the mass ratio of 5:5 and the calcinations of 350°C had the highest photocatalytic activity. The degradation rate of benzene was up to 66.87% when initial benzene concentration was 100mg/m3 and after 365nm UV irradiation 210min O2 − and h+ played a key role in the photo-degradation of benzene, and the enhanced performance of BiVO4/α-Fe2O3 composite could be attributed to the synergistic effect between α-Fe2O3 and BiVO4.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.153
      Issue No: Vol. 427 (2017)
  • Biochar-supported reduced graphene oxide composite for adsorption and
           coadsorption of atrazine and lead ions
    • Authors: Ying Zhang; Bo Cao; Lulu Zhao; Lili Sun; Yan Gao; Jiaojiao Li; Fan Yang
      Pages: 147 - 155
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Ying Zhang, Bo Cao, Lulu Zhao, Lili Sun, Yan Gao, Jiaojiao Li, Fan Yang
      To explore potential in application for simultaneous removal of atrazine and lead ions (Pd2+), the adsorption and coadsorption of atrazine and Pd2+ is evaluated onto a novel biochar-supported reduced graphene oxide composite (RGO-BC), which has been successfully developed via slow pyrolysis of graphene oxide (GO) pretreated corn straws. Structure and morphology analysis reveal that GO nanosheets are coated on the surface of biochar (BC) mainly through π-π interactions, notably, GO nanosheets after annealing reduction can basically retain the original morphology, meanwhile, the change of physico-chemical properties on the surface endow excellent adsorption capaities of 26.10mgg−1 for Pb2+ and 67.55mgg−1 for atrazine. A significant difference is in sorption of Pb2+ and atrazine on RGO-BC sample in both single- and binary-solute systems. The adsorption capacity of RGO-BC still remained above 54.58mgg−1 after four times regeneration (81% adsorption capacity remained), demonstrating a promising candidate for the application of removal contaminant in the environment.

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.237
      Issue No: Vol. 427 (2017)
  • Inhibition effect of glycine on molybdenum corrosion during CMP in
           alkaline H2O2 based abrasive free slurry
    • Authors: Guang Yang; Peng He; Xin-Ping Qu
      Pages: 148 - 155
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Guang Yang, Peng He, Xin-Ping Qu
      The inhibitory effect of glycine on corrosion and chemical mechanical polishing (CMP) of Mo in hydrogen peroxide (H2O2) based abrasive-free alkaline slurry has been investigated. Results show that, in H2O2 based slurry, both static etching rate (SER) and removal rate (RR) of Mo during chemical mechanical polishing were reduced by adding glycine and the inhibition efficiency was around 50%. From ex-situ and in-situ open circuit potential (OCP), current density transient and potentiodynamic polarization measurements, it is found that formation of oxides was delayed due to blocked contact between oxidizer and the sample surface by electrostatic adsorption of glycine zwitterion on the surface. Glycine can form complex with MoO3 and promote dissolution of surface oxide, MoO3, resulting in a reduced passivation layer. The slowed oxidation reaction dominates the whole process, resulting inhibited Mo corrosion and leading to a smoother Mo surface.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.140
      Issue No: Vol. 427 (2017)
  • Theoretical investigation on the adsorption and dissociation behaviors of
           TiCl4 on pyrolytic carbon surface
    • Authors: Na Jin; Yanqing Yang; Xian Luo; Shuai Liu; Pengtao Li
      Pages: 156 - 165
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Na Jin, Yanqing Yang, Xian Luo, Shuai Liu, Pengtao Li
      We present a theoretical investigation of the reaction mechanism of TiCl4 dissociation on pyrolytic carbon surface and discuss the influence of H atom on adsorption and dissociation behaviors of TiCl4 by using density functional theory. The adsorption behaviors of TiClx (x=4-0) and the interactions between pre-adsorbed H atom and TiClx are studied by calculating adsorption energies Eads and interaction energies HTi , respectively. The pre-adsorbed H atom significantly facilitates the adsorption of TiClx on pyrolytic carbon surface. Specially, TiCl3 adsorption on pyrolytic carbon surface converts from an endothermic process into an exothermic process due to the present of pre-adsorbed H atom. The calculation results of HTi show that the interactions between pre-adsorbed H atom and TiClx are attractive. The dissociation of TiCl4 on pre-adsorbed H pyrolytic carbon surface is an exothermic process, and TiCl4 →TiCl3 is the limited step. The dissociation barriers of each step are less than 1.5eV except for TiCl→Ti, which does not need to overcome any barriers, that is to say, once TiCl is adsorbed on pre-adsorbed H surface the reaction of TiCl→Ti spontaneously occurs. It thus can be concluded that the dissociation of TiCl4 on pyrolytic carbon surface is a favorable process as long as H2 molecular have decomposed into atomic H and adsorbed on pyrolytic carbon surface, and the intermediate species (TiCl3, TiCl2 and TiCl) play an important role on the titanium CVD deposition. We also study the adsorption behavior of H atom and the dissociation behavior of H2 molecular on pyrolytic carbon surface.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.162
      Issue No: Vol. 427 (2017)
  • Electric field induced spin polarization oscillation in nonmagnetic
           benzene/Cu(100) interface: First principles calculations
    • Authors: X.B. Yuan; L.L. Cai; Y.L. Tian; G.C. Hu; J.F. Ren
      Pages: 156 - 161
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): X.B. Yuan, L.L. Cai, Y.L. Tian, G.C. Hu, J.F. Ren
      First-principles calculation are presented to study the influences of external electric fields on the spin polarization properties of benzene/Cu(100) system which do not contain any magnetic atom. Our simulations show that an obvious spontaneous spin polarization oscillation occurred in the benzene molecule when the electric fields are applied. The density of states (DOS), spin density distributions, charge transfer properties are also obtained. It is found that the p-d orbital coupling between the benzene molecule and the electrode leads to spin non-degeneration of the DOS near the fermi energy, so the transferred charges from the Cu atoms to the molecule will fill these spin non-degenerate coupled orbitals, and then the benzene molecule becomes spin polarized. The strength of the p-d orbital coupling as well as the transferred charges oscillated with the external electric fields, which induce spin polarization oscillation. The results are favorable for the understanding of spin polarization properties in organic/nonmagnetic metal structures.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.045
      Issue No: Vol. 427 (2017)
  • Insights into the activation mechanism of calcium ions on the sericite
           surface: A combined experimental and computational study
    • Authors: Yuehua Hu; Jianyong He; Chenhu Zhang; Chenyang Zhang; Wei Sun; Dongbo Zhao; Pan Chen; Haisheng Han; Zhiyong Gao; Runqing Liu; Li Wang
      Pages: 162 - 168
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Yuehua Hu, Jianyong He, Chenhu Zhang, Chenyang Zhang, Wei Sun, Dongbo Zhao, Pan Chen, Haisheng Han, Zhiyong Gao, Runqing Liu, Li Wang
      The adsorption behaviors and the activation mechanism of calcium ions (Ca2+) on sericite surface have been investigated by Zeta potential measurements, Fourier transform infrared spectroscopy (FT-IR), Micro–flotation tests and First principle calculations. Zeta potential tests results show that the sericite surface potential increases due to the adsorption of calcium ions on the surface. Micro-flotation tests demonstrate that sericite recovery remarkably rise by 10% due to the calcium ions activation on sericite surface. However, the characteristic adsorption bands of calcium oleate do not appear in the FT-IR spectrum, suggesting that oleate ions just physically adsorb on the sericite surface. The first principle calculations based on the density functional theory (DFT) further reveals the microscopic adsorption mechanism of calcium ions on the sericite surface before and after hydration.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.265
      Issue No: Vol. 427 (2017)
  • Biomimetic PDMS-hydroxyurethane terminated with catecholic moieties for
           chemical grafting on transition metal oxide-based surfaces
    • Authors: Kelen R. de Aguiar; Klaus Rischka; Linda Gätjen; Paul-Ludwig Michael Noeske; Welchy Leite Cavalcanti; Ubirajara P. Rodrigues-Filho
      Pages: 166 - 175
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Kelen R. de Aguiar, Klaus Rischka, Linda Gätjen, Paul-Ludwig Michael Noeske, Welchy Leite Cavalcanti, Ubirajara P. Rodrigues-Filho
      The aim of this work was to synthesize a non-isocyanate poly(dimethylsiloxane) hydroxyurethane with biomimetic terminal catechol moieties, as a candidate for inorganic and metallic surface modification. Such surface modifier is capable to strongly attach onto metallic and inorganic substrates forming layers and, in addition, providing water-repellent surfaces. The non-isocyanate route is based on carbon dioxide cycloaddition into bis-epoxide, resulting in a precursor bis(cyclic carbonate)-polydimethylsiloxane (CCPDMS), thus fully replacing isocyanate in the manufacture process. A biomimetic approach was chosen with the molecular composition being inspired by terminal peptides present in adhesive proteins of mussels, like Mefp (Mytilus edulis foot protein), which bear catechol moieties and are strong adhesives even under natural and saline water. The catechol terminal groups were grafted by aminolysis reaction into a polydimethylsiloxane backbone. The product, PDMSUr-Dopamine, presented high affinity towards inhomogeneous alloy surfaces terminated by native oxide layers as demonstrated by quartz crystal microbalance (QCM-D), as well as stability against desorption by rinsing with ethanol. As revealed by QCM-D, X-ray photoelectron spectroscopy (XPS) and computational studies, the thickness and composition of the resulting nanolayers indicated an attachment of PDMSUr-Dopamine molecules to the substrate through both terminal catechol groups, with the adsorbate exposing the hydrophobic PDMS backbone. This hypothesis was investigated by classical molecular dynamic simulation (MD) of pure PDMSUr-Dopamine molecules on SiO2 surfaces. The computationally obtained PDMSUr-Dopamine assembly is in agreement with the conclusions from the experiments regarding the conformation of PDMSUr-Dopamine towards the surface. The tendency of the terminal catechol groups to approach the surface is in agreement with proposed model for the attachment PDMSUr-Dopamine. Remarkably, the versatile PDMSUr-Dopamine modifier facilitates such functionalization for various substrates such as titanium alloy, steel and ceramic surfaces.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.142
      Issue No: Vol. 427 (2017)
  • Uncovering a new quasi-2D CuO2 plane between the YBa2Cu3O7 and CeO2 buffer
           layer of coated conductors
    • Authors: Zhi-Xin Li; Jin-Jin Cao; Xiao-Fan Gou; Tian-Ge Wang; Feng Xue
      Pages: 169 - 173
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Zhi-Xin Li, Jin-Jin Cao, Xiao-Fan Gou, Tian-Ge Wang, Feng Xue
      We report a discovery of the quasi-two-dimensional (quasi-2D) CuO2 plane between the superconductor YBa2Cu3O7 (YBCO) and CeO2 buffer layer (mostly used in the fabrication) of coated conductors through the atomistic computer simulations with the molecular dynamics (MD) and first-principle calculations. For an YBCO coated conductor with multilayer structures, the buffer layers deposited onto a substrate are mainly considered to transfer a strong biaxial texture from the substrate to the YBCO layer. To deeply understand the tuning mechanism of the texture transfer, exploring the complete atomic-level picture of the structure between the YBa2Cu3O7/CeO2 interfaces is firstly required. However, the related observation data have not been available due to some big challenges of experimental techniques. With the MD simulations, having tested the accuracy of the potential functions for the YBa2Cu3O7/CeO2 interface, we constructed a total of 54 possible atom stacking models of the interface and identified its most appropriate and stable structure according to the criterion of the interface adhesion energy and the coherent characterization. To further verify the stability of the identified structure, we performed the first-principle calculations to obtain the adhesion energy and developed the general knowledge of the interface structure. Finally, a coherent interface formed with a new built quasi-2D CuO2 plane that is structurally similar to the CuO2 plane inside bulk YBCO was determined.

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.264
      Issue No: Vol. 427 (2017)
  • Self-template synthesis of yolk-shelled NiCo2O4 spheres for enhanced
           hybrid supercapacitors
    • Authors: Liang Wang; Xinyan Jiao; Peng Liu; Yu Ouyang; Xifeng Xia; Wu Lei; Qingli Hao
      Pages: 174 - 181
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Liang Wang, Xinyan Jiao, Peng Liu, Yu Ouyang, Xifeng Xia, Wu Lei, Qingli Hao
      A self-template method is developed for hierarchically yolk-shelled NiCo2O4 spheres (YS-NiCo2O4) through a controlled hydrolysis process and followed by a thermal annealing treatment. The yolk-shelled NiCo2O4 spheres possess out-shell consisting of hundreds of ultrathin sheets with 3–5nm in thickness and solid yolk composing of a large number of nanoparticles. The YS-NiCo2O4 generates a large specific surface area of 169.6m2 g−1. Benefit from the large specific surface area and rich oxygen vacancy, the as-fabricated YS-NiCo2O4 as electrode materials for supercapacitor exhibits high specific capacitance of 835.7Fg−1 at 0.5Ag−1, an enhanced rate capability and excellent electrochemical stability with 93% retention after 10,000 cycles even at 10Ag−1. Moreover, a hybrid supercapacitor combined with YS-NiCo2O4 and graphene shows a high energy density of 34.7Whkg−1 at the power density of 395.0Wkg−1 at 0.5Ag−1, even at 20Ag−1, the hybrid supercapacitor still delivers the energy density of about 12.1Whkg−1 and the power density of 11697Wkg−1. The desirable performance of yolk-shelled NiCo2O4 suggests it to be a promising material as supercapacitor electrodes.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.221
      Issue No: Vol. 427 (2017)
  • Selective gas adsorption and I–V response of monolayer boron phosphide
           introduced by dopants: A first-principle study
    • Authors: Yongfa Cheng; Ruishen Meng; Chunjian Tan; Xianping Chen; Jing Xiao
      Pages: 176 - 188
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Yongfa Cheng, Ruishen Meng, Chunjian Tan, Xianping Chen, Jing Xiao
      Two-dimensional (2D) materials have gained tremendous research interests for gas sensing applications because of their ultrahigh theoretical specific surface areas and unique electronic properties. Here, we investigate the adsorption of CO, SO2, NH3, O2, NO and NO2 gas molecules on pure and doped boron phosphide (BP) systems using first-principles calculations to exploit their potential in gas sensing. Our results predict that all six gas molecules show stronger adsorption interactions on impurities-doped BP over the pristine monolayer BP. Al-doped BP shows the highest sensitivity to all gas molecules, but N-doped BP is more suitable as a sensing material for SO2, NO and NO2 due to the feasibility of desorption. We further calculated the current–voltage (I–V) relation by mean of nonequilibrium Green’s function (NEGF) formalism. The I–V curves indicate that the electronic properties of the doping systems change significantly with gas adsorption by studying the nonparamagnetic molecules NH3 and the paramagnetic molecules NO, which can be more likely to be measured experimentally compared to graphene and phosphorene. This work explores the possibility of BP as a superior sensor through introducing the appropriate dopants.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.187
      Issue No: Vol. 427 (2017)
  • XPS and SEM analysis of the surface of gas atomized powder precursor of
           ODS ferritic steels obtained through the STARS route
    • Authors: E. Gil; J. Cortés; I. Iturriza; N. Ordás
      Pages: 182 - 191
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): E. Gil, J. Cortés, I. Iturriza, N. Ordás
      An innovative powder metallurgy route to produce ODS FS, named STARS, has succeeded in atomizing steel powders containing the oxide formers (Y and Ti) and, hence, avoids the mechanical alloying (MA) step to dissolve Y in the matrix. A metastable oxide layer forms at the surface of atomized powders and dissociates during HIP consolidation at high temperatures, leading to precipitation of more stable Y-Ti-O nanoparticles.

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.205
      Issue No: Vol. 427 (2017)
  • Sodium adsorption and diffusion on monolayer black phosphorus with
           intrinsic defects
    • Authors: Xiaoli Sun; Zhiguo Wang
      Pages: 189 - 197
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Xiaoli Sun, Zhiguo Wang
      Monolayer black phosphorus is a potential anode material for rechargeable ion batteries. In this work, the effects of intrinsic defects including mono-vacancy (MV), di-vacancy, and Stone-Wales (SW) defects on the adsorption and diffusion of sodium on monolayer black phosphorus were investigated using first-principles calculations. The adsorption energies for sodium on monolayer black phosphorus are in the range of −1.80 to −0.56eV, which is lower than the value of −0.48eV for sodium adsorbed on pristine monolayer phosphorus. This indicates that these defects can enhance the adsorption of sodium on monolayer black phosphorus. The diffusivity of sodium on monolayer phosphorus with SW and MV defects is 2.35×10−4–3.36×10−6 cm2/s, and 7.38×10−5–1.48×10−9 cm2/s, respectively. Although these values are smaller than that of the pristine monolayer phosphorus at 7.38×10−5 cm2/s, defects are inevitably introduced during these fabrication processes. These diffusivity values are reasonable for defective monolayer phosphorus used as an effective anode for sodium ion batteries.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.199
      Issue No: Vol. 427 (2017)
  • New properties of Fe3O4@SnO2 core shell nanoparticles following interface
           charge/spin transfer
    • Authors: C. Leostean; O. Pana; M. Stefan; A. Popa; D. Toloman; M. Senila; S. Gutoiu; S. Macavei
      Pages: 192 - 201
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): C. Leostean, O. Pana, M. Stefan, A. Popa, D. Toloman, M. Senila, S. Gutoiu, S. Macavei
      The synthesis and properties of Fe3O4@SnO2 core-shell nanoparticles are reported in the present paper. To form Fe3O4@SnO2 nanocomposites (FeSn-Ox), the magnetite (Fe3O4) nanoparticles were covered with SnO2 semiconductor through the use of the seeding method followed by a thermal treatment. XRD studies reveal that the synthesized composite nanoparticles contain mainly Fe3O4 and SnO2 in different proportions depending on the preparation conditions. The composition of nanoparticles and their core-shell architecture were evidenced by XPS and confirmed by Fourier analysis of HRTEM images. Magnetic studies also indicated that FeSn-Ox samples exhibit superparamagnetic behavior at room temperature. It was found that the SnO2 shell nanocrystals contain ordered magnetic moments formed through a charge/spin transfer process across the interface (carrier-mediated ferromagnetism). The analysis of UV–vis and photoluminescence (PL) spectra of FeSn-Ox composites shows position modifications of SnO2 impurity band gap levels in accordance with the charge/spin transfer between Fe3O4 and SnO2 outer shell.

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.267
      Issue No: Vol. 427 (2017)
  • First principles study of P-doped borophene as anode materials for lithium
           ion batteries
    • Authors: Hui Chen; Wei Zhang; Xian-Qiong Tang; Yan-Huai Ding; Jiu-Ren Yin; Yong Jiang; Ping Zhang; Haibao Jin
      Pages: 198 - 205
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Hui Chen, Wei Zhang, Xian-Qiong Tang, Yan-Huai Ding, Jiu-Ren Yin, Yong Jiang, Ping Zhang, Haibao Jin
      In this paper, Li storage in P-doped borophene nanosheet was stimulated by Density Functional Theory (DFT). Without destroying the nanosheet structure, borophene doped with P atom possessed high binding energy of 3.42eV. The electronic properties, binding energy, capacity and open-circuit voltage of P-doped borophene were calculated. These results demonstrated that P-doping has a positive effect on the Li storage of borophene nanosheet. Besides, the maximum adsorption number of Li atoms in P-doped borophene is 18, accompanied with an ultra-high theoretical capacity of 1732mAh/g.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.178
      Issue No: Vol. 427 (2017)
  • Non-covalently anchored multi-walled carbon nanotubes with
           hexa-decafluorinated zinc phthalocyanine as ppb level chemiresistive
           chlorine sensor
    • Authors: Anshul Kumar Sharma; Aman Mahajan; R.K. Bedi; Subodh Kumar; A.K. Debnath; D.K. Aswal
      Pages: 202 - 209
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Anshul Kumar Sharma, Aman Mahajan, R.K. Bedi, Subodh Kumar, A.K. Debnath, D.K. Aswal
      A cost effective solution assembly method has been explored for preparing zinc(II)1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexa-decafluoro-29H,31H-phthalocyanine/multi-walled carbon nanotubes (F16ZnPc/MWCNTs-COOH) hybrid. Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy, transmission electron microscopy (TEM) and field emission scanning electron microscopy (FE-SEM) investigations confirm the non-covalent anchoring of F16ZnPc onto MWCNTs-COOH through п-п stacking interactions. Further, a highly sensitive and selective chemiresistive Cl2 sensor has been fabricated using F16ZnPc/MWCNTs-COOH hybrid. The response of sensor is found to be 21.28% for 2ppm of Cl2 with a response time of 14s and theoretical detection limit of the sensor is found down to 0.06ppb. The improved Cl2 sensing characteristics of hybrid are found to be originated from the synergetic interaction between F16ZnPc and MWCNTs-COOH. The underlying mechanism for improved gas sensing performance of F16ZnPc/MWCNTs-COOH sensor towards Cl2 has been explained using Raman, X-ray photoelectron spectroscopy (XPS) and electrochemical impedance spectroscopy (EIS) studies.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.040
      Issue No: Vol. 427 (2017)
  • Aminopropyl-functionalized mesoporous carbon (APTMS-CMK-3) as effective
           phosphate adsorbent
    • Authors: Yanju Yang; Juanjuan Wang; Xiaoqing Qian; Yuhua Shan; Haipeng Zhang
      Pages: 206 - 214
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Yanju Yang, Juanjuan Wang, Xiaoqing Qian, Yuhua Shan, Haipeng Zhang
      Excess phosphate discharge into water bodies can lead to severe eutrophication. Adsorption has been considered as one of the most effective approaches for phosphate removal and recovery. A new aminopropyl-functionalized mesoporous carbon CMK-3 (denoted as APTMS-CMK-3) was prepared and the materials were used as adsorbents for the removal of phosphate in water. The structure, functional groups and surface charge of the materials were characterized by X-ray powder diffraction, transmission electron microscope, N2 adsorption-desorption, elemental analysis, Fourier transform infrared spectra, X-ray photoelectron spectroscopy and zeta potential measurements. The effects of contact time, initial phosphate concentration, solution pH, coexisting anions and dissolved humic acid were studied. The adsorption capacity of APTMS-CMK-3 was 38.09mgg−1 at the equilibrium concentration of 49.06mgL−1, and the adsorption data were well fitted with the Freundlich model. As for the reuse of APTMS-CMK-3, a relatively stable adsorption performance was observed after five adsorption-desorption cycles. Therefore, the way of grafting aminopropyl groups on the CMK-3 efficiently enhanced the capability for phosphate adsorption, indicating that it could be used as potential adsorbents for the removal of phosphate in water.
      Graphical abstract image

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.213
      Issue No: Vol. 427 (2017)
  • Green preparation of gold nanoparticles with Tremella fuciformis for
           surface enhanced Raman scattering sensing
    • Authors: Bin Tang; Jun Liu; Linpeng Fan; Daili Li; Xinzhu Chen; Ji Zhou; Jingliang Li
      Pages: 210 - 218
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Bin Tang, Jun Liu, Linpeng Fan, Daili Li, Xinzhu Chen, Ji Zhou, Jingliang Li
      A simple in-situ synthesis method was developed to fabricate complex of Tremella fuciformis (TF) and gold nanoparticles (Au NPs). TF, one of the most popular fungi in the cuisine and medicine, acted as a biomass reducing agent and scaffold in the preparation of Au NPs. The intensities of the localized surface plasmon resonance (LSPR) of the complex of TF and Au NPs (Au@TFs) increased as the complex shrunk due to drying. The textures of TF prevent the aggregation of Au NPs during the drying process. The TFs show strong adsorption capacity for cationic dyes. It is suggested that the adsorption of the dyes onto TFs are achieved through electrostatic interactions between the TF and the dyes. Kinetics studies indicated that adsorption process could be well described by a pseudo-second-order model. Furthermore, the as-prepared Au@TFs were used as surface enhanced Raman scattering (SERS) substrates for analyzing trace dye molecules. The shrinkage of the TFs caused by drying concentrated dyes on their fruiting bodies, which led to the enhancement of Raman signals of dyes. The Au NPs on TF further enhanced the Raman signals. In-situ synthesis of Au NPs on TF may promote the applications of fungus materials in optical sensing of targets.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.08.008
      Issue No: Vol. 427 (2017)
  • Fabrication and gas sensing properties of vertically aligned Si nanowires
    • Authors: Ali Mirzaei; Sung Yong Kang; Sun-Woo Choi; Yong Jung Kwon; Myung Sik Choi; Jae Hoon Bang; Sang Sub Kim; Hyoun Woo Kim
      Pages: 215 - 226
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part B
      Author(s): Ali Mirzaei, Sung Yong Kang, Sun-Woo Choi, Yong Jung Kwon, Myung Sik Choi, Jae Hoon Bang, Sang Sub Kim, Hyoun Woo Kim
      In this study, a peculiar configuration for a gas sensor consisting of vertically aligned silicon nanowires (VA-Si NWs) synthesized by metal-assisted chemical etching (MACE) is reported. Si NWs were prepared via a facile MACE method and subsequent thermal annealing. Etching was performed by generation of silver nanoparticles (Ag NPs) and subsequent etching in HF/H2O2 aqueous solution; the growth conditions were optimized by changing the process parameters. Highly vertically oriented arrays of Si NWs with a straight-line morphology were obtained, and a top–top electrode configuration was applied. The VA-Si NW gas sensor showed good sensing performance, and the VA-Si NWs exhibited a remarkable response (R g/R a =11.5∼17.1) to H2 gas (10–50ppm) at 100°C which was the optimal working temperature. The formation mechanism and gas sensing mechanism of VA-Si NWs are described. The obtained results can suggest new approaches to making inexpensive, versatile, and portable sensors based on Si NWs having a novel top–top electrode structure that are fully compatible with well-developed Si technologies.

      PubDate: 2017-09-08T01:47:27Z
      DOI: 10.1016/j.apsusc.2017.08.182
      Issue No: Vol. 427 (2017)
  • Shock-induced stacking fault pyramids in Ni/Al multilayers
    • Authors: Henggao Xiang; Haitao Li; Tao Fu; Weibin Zhu; Cheng Huang; Bo Yang; Xianghe Peng
      Pages: 219 - 225
      Abstract: Publication date: 1 January 2018
      Source:Applied Surface Science, Volume 427, Part A
      Author(s): Henggao Xiang, Haitao Li, Tao Fu, Weibin Zhu, Cheng Huang, Bo Yang, Xianghe Peng
      The formations of stacking fault tetrahedra in {111}fcc/{111}fcc multilayers have been studied extensively, but the researches related to {001}fcc/{001}fcc interfaces can rarely be found in the literature. Using molecular dynamics (MD) simulations, the shock-induced dislocation structure in Ni/Al multilayers was studied in this article, the stacking fault pyramids (SFPs) initiated from Ni/Al interface was firstly observed, and the corresponding mechanism was explored. It was shown that the Shockley partial dislocations dissociated from the rectangular misfit dislocations along Ni/Al interface are first emitted into the Al interlayer and subsequently intersect with each other to form SFPs. With the propagation of the shock front in the multilayers, two adjacent SFPs interact with each other and form Lomer-Cottrell locks. The dislocation sheet composed of SFPs and Lomer-Cottrell locks can act as a barrier to dislocation transmission. The effect of shock piston velocity on the nucleation site of dislocation was also studied. It was shown that dislocations would originate from the interface at a low piston speed (<1.1km/s), and appear at the shock front if the piston speed exceeds 1.2km/s.
      Graphical abstract image

      PubDate: 2017-09-02T16:23:12Z
      DOI: 10.1016/j.apsusc.2017.07.268
      Issue No: Vol. 427 (2017)
School of Mathematical and Computer Sciences
Heriot-Watt University
Edinburgh, EH14 4AS, UK
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