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  Subjects -> CHEMISTRY (Total: 891 journals)
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CHEMISTRY (621 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
2D Materials     Hybrid Journal   (Followers: 14)
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: 43)
ACS Chemical Neuroscience     Full-text available via subscription   (Followers: 21)
ACS Combinatorial Science     Full-text available via subscription   (Followers: 23)
ACS Macro Letters     Full-text available via subscription   (Followers: 26)
ACS Medicinal Chemistry Letters     Full-text available via subscription   (Followers: 41)
ACS Nano     Full-text available via subscription   (Followers: 274)
ACS Photonics     Full-text available via subscription   (Followers: 14)
ACS Symposium Series     Full-text available via subscription  
ACS Synthetic Biology     Full-text available via subscription   (Followers: 24)
Acta Chemica Iasi     Open Access   (Followers: 5)
Acta Chimica Slovaca     Open Access   (Followers: 2)
Acta Chimica Slovenica     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: 7)
Acta Scientifica Naturalis     Open Access   (Followers: 3)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 6)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 9)
Adsorption Science & Technology     Full-text available via subscription   (Followers: 6)
Advanced Functional Materials     Hybrid Journal   (Followers: 57)
Advanced Science Focus     Free   (Followers: 5)
Advances in Chemical Engineering and Science     Open Access   (Followers: 66)
Advances in Chemical Science     Open Access   (Followers: 18)
Advances in Chemistry     Open Access   (Followers: 21)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 19)
Advances in Drug Research     Full-text available via subscription   (Followers: 23)
Advances in Environmental Chemistry     Open Access   (Followers: 5)
Advances in Enzyme Research     Open Access   (Followers: 10)
Advances in Fluorine Science     Full-text available via subscription   (Followers: 9)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 17)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 11)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 25)
Advances in Nanoparticles     Open Access   (Followers: 15)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 16)
Advances in Polymer Science     Hybrid Journal   (Followers: 43)
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: 6)
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: 3)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 7)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alkaloids: Chemical and Biological Perspectives     Full-text available via subscription   (Followers: 2)
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 64)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 17)
American Journal of Chemistry     Open Access   (Followers: 30)
American Journal of Plant Physiology     Open Access   (Followers: 11)
American Mineralogist     Hybrid Journal   (Followers: 15)
Analyst     Full-text available via subscription   (Followers: 38)
Angewandte Chemie     Hybrid Journal   (Followers: 165)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 244)
Annales UMCS, Chemia     Open Access  
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 5)
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: 9)
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: 13)
Anti-Infective Agents     Hybrid Journal   (Followers: 3)
Antiviral Chemistry and Chemotherapy     Hybrid Journal   (Followers: 2)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 9)
Applied Spectroscopy     Full-text available via subscription   (Followers: 23)
Applied Surface Science     Hybrid Journal   (Followers: 31)
Arabian Journal of Chemistry     Open Access   (Followers: 6)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Biochemistry     Open Access   (Followers: 2)
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  
Biochemical Pharmacology     Hybrid Journal   (Followers: 10)
Biochemistry     Full-text available via subscription   (Followers: 350)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 6)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 10)
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: 2)
Biomacromolecules     Full-text available via subscription   (Followers: 21)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 10)
Biomedical Chromatography     Hybrid Journal   (Followers: 7)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 3)
BioNanoScience     Partially Free   (Followers: 5)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 128)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 84)
Bioorganic Chemistry     Hybrid Journal   (Followers: 10)
Biopolymers     Hybrid Journal   (Followers: 18)
Biosensors     Open Access   (Followers: 2)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 2)
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: 2)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 10)
Canadian Mineralogist     Full-text available via subscription   (Followers: 6)
Carbohydrate Research     Hybrid Journal   (Followers: 26)
Carbon     Hybrid Journal   (Followers: 71)
Catalysis for Sustainable Energy     Open Access   (Followers: 8)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 7)
Catalysis Science and Technology     Free   (Followers: 8)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 3)
Catalysts     Open Access   (Followers: 10)
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: 18)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Full-text available via subscription   (Followers: 73)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 26)
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 3)
Chemical Research in Toxicology     Full-text available via subscription   (Followers: 22)
Chemical Reviews     Full-text available via subscription   (Followers: 191)
Chemical Science     Open Access   (Followers: 24)
Chemical Technology     Open Access   (Followers: 24)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 5)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 56)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 24)
ChemInform     Hybrid Journal   (Followers: 8)
Chemistry & Biodiversity     Hybrid Journal   (Followers: 7)
Chemistry & Biology     Full-text available via subscription   (Followers: 32)
Chemistry & Industry     Hybrid Journal   (Followers: 7)
Chemistry - A European Journal     Hybrid Journal   (Followers: 163)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 16)
Chemistry and Materials Research     Open Access   (Followers: 21)
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: 44)
Chemistry of Materials     Full-text available via subscription   (Followers: 254)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 9)
Chemistry World     Full-text available via subscription   (Followers: 19)
Chemistry-Didactics-Ecology-Metrology     Open Access   (Followers: 1)
ChemistryOpen     Open Access   (Followers: 1)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
Chemoecology     Hybrid Journal   (Followers: 4)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 14)
Chemosensors     Open Access  
ChemPhysChem     Hybrid Journal   (Followers: 11)
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: 11)
Chromatographia     Hybrid Journal   (Followers: 24)
Chromatography     Open Access   (Followers: 2)
Chromatography Research International     Open Access   (Followers: 6)
Clay Minerals     Full-text available via subscription   (Followers: 10)
Cogent Chemistry     Open Access   (Followers: 1)
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 11)
Colloids and Interfaces     Open Access  
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 6)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 4)
Combustion Science and Technology     Hybrid Journal   (Followers: 22)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 2)
Communications Chemistry     Open Access  
Composite Interfaces     Hybrid Journal   (Followers: 7)
Comprehensive Chemical Kinetics     Full-text available via subscription   (Followers: 1)
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: 11)
Computational Chemistry     Open Access   (Followers: 2)
Computers & Chemical Engineering     Hybrid Journal   (Followers: 10)
Coordination Chemistry Reviews     Full-text available via subscription   (Followers: 3)
Copernican Letters     Open Access   (Followers: 1)
Corrosion Series     Full-text available via subscription   (Followers: 6)
Critical Reviews in Biochemistry and Molecular Biology     Hybrid Journal   (Followers: 5)
Croatica Chemica Acta     Open Access  
Crystal Structure Theory and Applications     Open Access   (Followers: 4)
CrystEngComm     Full-text available via subscription   (Followers: 13)
Current Catalysis     Hybrid Journal   (Followers: 2)
Current Chromatography     Hybrid Journal  
Current Green Chemistry     Hybrid Journal  
Current Metabolomics     Hybrid Journal   (Followers: 5)
Current Microwave Chemistry     Hybrid Journal  
Current Opinion in Colloid & Interface Science     Hybrid Journal   (Followers: 9)
Current Opinion in Molecular Therapeutics     Full-text available via subscription   (Followers: 14)
Current Research in Chemistry     Open Access   (Followers: 8)
Current Science     Open Access   (Followers: 69)
Current Trends in Biotechnology and Chemical Research     Open Access   (Followers: 3)
Dalton Transactions     Full-text available via subscription   (Followers: 23)
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  

        1 2 3 4 | Last

Journal Cover
Applied Surface Science
Journal Prestige (SJR): 1.093
Citation Impact (citeScore): 4
Number of Followers: 31  
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 0169-4332
Published by Elsevier Homepage  [3163 journals]
  • Microstructure and mechanical properties from an attractive combination of
           plasma nitriding and secondary hardening of M50 steel
    • Authors: M.F. Yan; B.F. Chen; B. Li
      Abstract: Publication date: 15 October 2018
      Source:Applied Surface Science, Volume 455
      Author(s): M.F. Yan, B.F. Chen, B. Li
      Microstructure and mechanical properties of a quenched M50 steel plasma nitrided for 8 h at temperatures ranging from 480 to 540 °C in a gas mixture of 25% N2 + 75% H2 were investigated in this paper. Results show that, compared with the original specimen, microhardness and wear resistance of M50 steel after nitriding treatment are remarkably improved at various temperatures, wherein the N500 specimen achieved the optimum combination of surface hardness (1186 HV), substrate hardness (643HV) and wear resistance (wear rate reduced by 90% more than original specimen). Such significantly improvement could mainly be attributed to the formation of nanophase FeN0.076, occurrence of further secondary hardening of substrate and generation of a nitrided surface layer of M50 steel during nitriding process. Two types of carbides, identified as MC and M6C, were found to be the stable precipitates present in substrate of N500 specimen. These results provide us with an attractive method of combining nitriding with secondary hardening to achieve a comprehensive performance from surface to substrate of M50 steel.
      Graphical abstract image

      PubDate: 2018-05-28T07:09:04Z
      DOI: 10.1016/j.apsusc.2018.04.213
      Issue No: Vol. 455 (2018)
  • Low energy ion scattering (LEIS) of as-formed and chemically modified
           display glass and peak-fitting of the Al/Si LEIS peak envelope
    • Authors: Cody V. Cushman; Philipp Brüner; Julia Zakel; Cameron Dahlquist; Brandon Sturgell; Thomas Grehl; Barry M. Lunt; Joy Banerjee; Nicholas J. Smith; Matthew R. Linford
      Abstract: Publication date: 15 October 2018
      Source:Applied Surface Science, Volume 455
      Author(s): Cody V. Cushman, Philipp Brüner, Julia Zakel, Cameron Dahlquist, Brandon Sturgell, Thomas Grehl, Barry M. Lunt, Joy Banerjee, Nicholas J. Smith, Matthew R. Linford
      Flat panels displays (FPDs) are commonly manufactured on highly-engineered glass substrates known as display glasses. As FPD pixel sizes decrease and pixel densities increase, the surface composition and surface properties of these glasses have an increasingly important impact on device yield, influencing static electricity buildup and discharge, particulate adhesion, rate of contamination, and device lifetime. Here, we apply low energy ion scattering (LEIS) to the analysis of Eagle XG®, a widely used display glass. Surfaces were treated with production-line relevant chemistries including acids, bases, etchants, industrial detergents, and plasmas. The resulting surfaces were compared to as-formed melt surfaces, fracture surfaces, and fibers formed from remelted Eagle XG®. LEIS revealed the elemental composition of the outermost atomic layer of these materials, detecting all major Eagle XG® constituents except boron. The surface composition of the glass differed as a function of forming process used to fabricate it as well as surface treatment. The surface concentration of aluminum on the as-formed melt surface differs significantly from the bulk composition (1–5% vs. 30–31% Al2O3 surface coverage, respectively). HCl treatment depleted the surface of all species except silica. HF treatment depleted modifier species from the glass surface to a lesser extent. An alkaline industrial detergent produced an increase in alumina relative to the as-formed glass surface (8–12% vs. 1–5% Al2O3 surface coverage, respectively). Treatment with an atmospheric-pressure plasma had no detectable impact on the elemental surface composition of the glass. Aluminum and silicon generally give overlapping signals in LEIS, and these signals could only be resolved here through a combination of optimized experimental conditions and data fitting. Various approaches to this data analysis were explored, including a guided least-squares approach referred to herein as informed sample model approach (ISMA), wherein the pure spectral components required for the fit were mathematically derived from the sample spectra. Most commercial display glasses contain both Al and Si, but there is little discussion of the deconvolution of these LEIS signals in the technical literature.

      PubDate: 2018-05-28T07:09:04Z
      DOI: 10.1016/j.apsusc.2018.04.127
      Issue No: Vol. 455 (2018)
  • One-pot fabrication of β-Bi2O3@Bi2S3 hierarchical hollow spheres with
           advanced sunlight photocatalytic RhB oxidation and Cr(VI) reduction
    • Authors: Chongfei Yu; Pengyan Yang; Luna Tie; Siyu Yang; Shuying Dong; Jingyu Sun; Jianhui Sun
      Abstract: Publication date: 15 October 2018
      Source:Applied Surface Science, Volume 455
      Author(s): Chongfei Yu, Pengyan Yang, Luna Tie, Siyu Yang, Shuying Dong, Jingyu Sun, Jianhui Sun
      Herein, we demonstrate the design and fabrication of β-Bi2O3 @Bi2S3 hollow microspheres with sheet-like hierarchical nanostructures targeting an advanced visible-light-responsive photocatalytic system. In comparison with pure Bi2S3 and β-Bi2O3, the as-obtained β-Bi2O3@Bi2S3 heterojunction photocatalyst exhibits a markedly enhanced sunlight photocatalytic activity towards the photo-degradation of rhodamine B. Following, the property of the β-Bi2O3@Bi2S3 on the Cr6+ photocatalytic reduction was then evaluated. Operating conditions such as β-Bi2O3@Bi2S3 mass, tartaric acid concentration, and initial Cr6+ concentration were analyzed. The results showed that a suitable reduction condition was selected as, β-Bi2O3@Bi2S3 dosage 25 mg, initial concentration 20 mg·L−1 and molar ratio of Cr6+/tartaric acid 1:20. The outstanding photocatalytic performances of the hybrid photocatalyst are mainly attributed to the reduced recombination rates of photo-generated electrons/holes, enhanced light harvesting, increased active sites as well as the improved photo/chemical stability. Moreover, the photocatalytic mechanism of β-Bi2O3@Bi2S3 for oxidation of RhB and reduction of Cr6+ was investigated in detail. The enhanced photocatalytic activity and excellent chemical stability render the thus-fabricated heterostructure a promising candidate to remediate aquatic contaminants and meet the demands of future photocatalytic materials.

      PubDate: 2018-05-28T07:09:04Z
      DOI: 10.1016/j.apsusc.2018.04.201
      Issue No: Vol. 455 (2018)
  • Adherent and low friction nanocrystalline diamond films via adsorbing
           organic molecules in self-assembly seeding process
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Tao Wang, Lei Huang, Stephan Handschuh-Wang, Songquan Zhang, Xingxing Li, Bo Chen, Yang Yang, Xuechang Zhou, Yongbing Tang
      Deposition of adherent and low friction nanocrystalline diamond films on cemented carbide cutting tools has been realized by application of a self-assembly seeding process with the help of lysine as stabilizing and directing agent. The colloidal stability of as-received detonated nanodiamond (DND) particles was enhanced by simply adding lysine into the nanodiamond seeding solution and adjusting the pH. Due to the two amine moieties it enhances the adsorption of oxidized nanodiamond on negatively charged cemented carbide substrate. The DND particle adsorption and adhesion of nanocrystalline diamond films on WC-Co substrate strongly depended on factors, such as concentration of lysine, pH of seeding solution and concentration of DND particles. The highest nucleation density of 6.5 × 1010 cm−2 was achieved with optimal colloidal stability, which was 10–100 times higher than most earlier published results on WC-Co substrate. Moreover, nanocrystalline diamond thin films were deposited uniformly and densely on cutting inserts while the film adhesion was significantly improved. Compared to diamond films prepared without the addition of lysine, the friction coefficient was 3-times lower. Therefore, electrostatic induced adsorption of diamond nanoparticles can serve to increase tool lifetime and enhance surface quality of a workpiece.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • ALD growth of metal oxide on carbon nitride polymorphs
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): P.C. Ricci, N. Laidani, D. Chiriu, M. Salis, C.M. Carbonaro, R. Corpino
      The implementation of a graphitic Carbon Nitride (g-C3N4) based organic-inorganic hybrid is discussed. The inorganic coating was deposited by Atomic Layer Deposition (ALD), allowing full control of thickness and homogeneity of deposited layer. We tested two different coating layers, alumina and titania, deposited by classical ALD, to discuss the effects of the precursor and gas reactivity on two Carbon Nitride samples with different surface terminations. Morphological (SEM, EDAX, TEM) and structural (Raman, XRD, XPS) measurements as well the study of decay kinetics upon optical excitation (time resolved luminescence) indicate that proper selection of organic substrate and reacting gas allows achieving homogenous covering by Metal oxide with classical ALD. In particular, a hybrid system g-C3N4/TiO2 has been successfully achieved by using tetrakis(dimethylamido)titanium(IV) (TDMAT) as precursor.

      PubDate: 2018-06-21T15:07:31Z
  • Facile and efficient in situ synthesis of silver nanoparticles on diverse
           filtration membrane surfaces for antimicrobial performance
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Longbin Qi, Zhongyun Liu, Ning Wang, Yunxia Hu
      Membrane biofouling remains a major limiting factor for the membrane-based water purification technology. The development of antibacterial membrane surfaces is very important for membrane biofouling mitigation. In this study, we developed a one-pot method of synthesizing silver nanoparticles (Ag NPs) and immobilizing them onto membranes via simply soaking the membranes in a mixture solution of silver nitrate, poly (ethylene glycol) methyl ether thiol (mPEG-SH) and dopamine. Results illustrate that mPEG-SH works as a ligand to slow down the reduction process of silver ions by dopamine for the synthesis of Ag NPs in a controllable manner and also the prevention of Ag NPs aggregation in solution. Moreover, the Ag NPs could be in situ immobilized onto polysulfone ultrafiltration membrane, glass fiber membrane and stainless steel, regardless of their surface properties, but the size of Ag NPs was affected by the substrates. In addition, the Ag NPs immobilization on the polysulfone ultrafiltration membranes increased the bovine serum albumin rejection rate of membrane by 16%, but decreased membrane permeability by 14% compared to that of the pristine membranes. The Ag NPs containing membranes exhibited outstanding antibacterial properties with more than 90% antibacterial efficiency against both Gram-negative bacteria Escherichia coli and Gram-positive bacteria Staphylococcus aureus. During the filtration test, the silver release from the Ag NPs containing polysulfone ultrafiltration membranes was very slow and the total accumulation of silver ions released from the membranes was only 7% of its initial Ag NPs loading after 24 h filtration operation. The silver ion concentration in the permeate water was 0.35 ± 0.16 ppb, far below the maximal contaminant limit of silver ions in drinking water with no risk for the application of Ag NPs incorporated membranes to treat water. Our work provides a facile and universal approach of synthetizing and simultaneously immobilizing Ag NPs onto diverse membranes for antibacterial properties.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • Enhanced electrochemical supercapacitor and excellent amperometric sensor
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Gunasekaran Manibalan, Govindhasamy Murugadoss, Rangasamy Thangamuthu, Pitchai Ragupathy, Rangasamy Mohan Kumar, Ramasamy Jayavel
      Heterostructure CeO2-CuO (0.01–0.1 M) nanocomposites were successfully prepared by one-step method. The CeO2-CuO nanocomposites has been developed for electrochemical supercapacitor and sensor applications. Structural and surface information of the product were investigated by high resolution TEM. XPS energy bands indicated the presence of Ce 3d and Cu 2p in nanocomposites. Also, a significant Raman shift from 468 to 460 cm−1 supported the formation of nanocomposites. The CeO2-CuO/GCE modified electrode exhibits an excellent sensitivity of 356.3 μA cm−2 mM−1 and low detection limit of 0.01 mM over a linear concentration range upto 5 mM nitrite. In addition, the CeO2-CuO nanocomposite exhibits excellent specific capacitance of 396 F g−1 at a current density of 1 A g−1 in 1 M LiClO4 electrolyte. The novel electrode demonstrated with a high energy density of 96 Wh kg−1 and a maximum power density of 2 W kg−1. This work demonstrates that CeO2-CuO nanocomposites have great potential to contribute significantly toward multi-functional energy applications.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • Superhydrophilic and underwater superoleophobic Ti foam with fluorinated
           hierarchical flower-like TiO2 nanostructures for effective oil-in-water
           emulsion separation
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Bin Jiang, Zhenxing Chen, Haozhen Dou, Yongli Sun, Hongjie Zhang, Zi Qiang Gong, Luhong Zhang
      In this work, a superhydrophilic Ti foam was designed and fabricated by applying a novel one-step hydrothermal approach to achieve highly efficient oil in water emulsion separation. Attributed to the synergistic effect of the surface roughness constructed by hierarchical flower-like TiO2 nanostructures and the surface hydrophilicity induced by titanium oxy-fluoride groups, the as-prepared Ti foam exhibited superhydrophilicity and underwater superoleophobicity. The formation of flower-like TiO2 nanostructures was studied and a possible “partial replacement” fluorinated process was proposed. Oil in water emulsion separation test showed that the superhydrophilic Ti foam could handle with various emulsions only under gravity with high separation efficiency over 99%. The separation efficiency remained high even after 20 times of reusing, demonstrating good reusability. More importantly, the superhydrophilic Ti foam could still maintain its wettability after immersed corrosive solutions for 48 h or stored under ambient atmosphere for three months, indicating excellent anti-corrosion property and long-term storage stability. We envision the methodology for the construction of a superhydrophilic surface by a simple and low-cost hydrothermal process will shed light on the Ti-based material design and also pave the way for applications in other fields such as liquid manipulation, fluidic devices and bioadhesion control.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • Comparison of performance and optoelectronic processes in ZnO and TiO2
           nanorod array-based hybrid solar cells
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Fan Wu, Qiquan Qiao, Behzad Bahrami, Ke Chen, Rajesh Pathak, Sally Mabrouk, Yanhua Tong, Xiaoyi Li, Tiansheng Zhang, Ronghua Jian
      The reported efficiencies of pristine ZnO nanorod array (NRA)-based polymer-inorganic hybrid solar cells (HSCs) are normally lower than those of their pristine TiO2 NRA-based counterparts. This difference typically results from the lower short-circuit current density (J sc) of the ZnO NRA device. This paper presents a comparative study of pristine ZnO and TiO2 NRA-based HSCs. We investigate the morphological structure (length, diameter, number density, area of nanorod laterals), photovoltaic performance (current density-voltage J–V, external quantum efficiency EQE), and optoelectronic processes related to electron transfer (electron mobility μ e, electron diffusion length L D, electron lifetime τ e and electron transit time τ t related electron collecting efficiency η cc, electron injection η inj, surface potential SP, photoluminescence PL, bound charge pairs BCP) in HSCs, with ZnO and TiO2 NRA as electron acceptor. Our comparative investigations reveal that the factors relating to the interface area, μ e, L D, and η cc are not the key factors responsible for the difference in the value of J sc in ZnO and TiO2 NRA-based HSCs with the same device structure. In fact, the crucial step for a lower J sc in ZnO NRA-based HSCs than in TiO2 NRA-based HSCs is attributed to the less efficient transfer of photo-generated electrons at the charge separation interface in ZnO NRA-based HSCs. Dynamic characterizations indicate that the transfer of interfacial photo-generated electrons in TiO2 NRA-based HSCs is more efficient than ZnO NRA-based HSCs, and is confirmed by Kelvin probe force microscopy (KPFM) and PL studies. The reason for the better interface charge transfer property in MEH-PPV/TiO2 NRA than that of in MEH-PPV/ZnO NRA is further investigated by Marcus model, we find that more trapped BCP states are generated in the ZnO NRA based HSCs, which resulting in lower interfacial electron injection efficiency from polymer to ZnO NRA.
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      PubDate: 2018-06-21T15:07:31Z
  • Enhanced photocatalytic activity of nonmetal doped monolayer MoSe2 by
           hydrogen passivation: First-principles study
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Yafei Zhao, Wei Wang, Can Li, Yizhe Sun, Huanfeng Xu, Jian Tu, Jiai Ning, Yongbing Xu, Liang He
      Using first-principle calculations, we have systematically investigated the enhancement of photocatalytic activity in nonmetal (NM) (B, C, Si, N, P and As) doped monolayer MoSe2 after hydrogen (H) passivation. We have found that incorporation of the NM atoms into MoSe2 will be easier in the presence of H. Moreover, H-passivation can enhance the photocatalytic activity of doped MoSe2 by suppressing the recombination of photogenerated electron/hole pairs and increasing the reduction ability of photogenerated electrons, especially in C-2H doped MoSe2. This work provides a useful guidance of H passivation, since H is abundant in the processing or application environment and its interaction with NM acceptors is inevitable.

      PubDate: 2018-06-21T15:07:31Z
  • Insights into the synergy between recyclable magnetic Fe3O4 and zeolite
           for catalytic aquathermolysis of heavy crude oil
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Dong Lin, Xiang Feng, Yining Wu, Baodong Ding, Teng Lu, Yibin Liu, Xiaobo Chen, De Chen, Chaohe Yang
      Understanding the synergy between metal and zeolite for catalytic aquathermolysis harbours tremendous scientific and industrial importance. Herein, HZSM-5 is used as a model zeolite due to uniform physico-chemical structure, which is required to elucidate the intrinsic structure-performance relationship. We first devise a novel and scalable strategy to synthesize recyclable magnetic Fe3O4/HZSM-5 catalyst, which shows enhanced catalytic aquathermolysis performance compared to pure HZSM-5 catalyst. Moreover, the underlying synergy effect is then systematically elucidated by multi-techniques such as 1H NMR, HRTEM, Py-IR, NH3-TPD, SARA and EL. Importantly, it is found that the change of acidity is not the dominating reason for enhanced performance. The synergy not only favors dispersion of Fe3O4 nanoparticles on zeolite, but also effectively breaks CS bond and reduces the percentages of resin and asphaltene. Furthermore, the designed Fe3O4/zeolite catalyst effectively reduces the viscosity of heavy crude oil by 85.0%. This work sheds new light on the design of highly efficient heterogeneous catalysts for catalytic aquathermolysis.
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      PubDate: 2018-06-21T15:07:31Z
  • The influence of alumina nanoparticles on lattice defects,
           crystallographic texture and residual stresses in electrodeposited
           Ni/Al2O3 composite coatings
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Anna Góral, Stanisław J. Skrzypek
      This paper presents how various additions of Al2O3 nanoparticles in the electrolytic bath modified the Ni/Al2O3 nanocomposite coating microstructure. The residual stresses, lattice defects, and crystallographic texture of the obtained deposits were studied. The investigations showed that the tensile residual stresses corresponded to the ceramic nanoparticles content in the deposited coating. The high level of measured stresses in the Ni/Al2O3 coatings indicated the presence of strengthening mechanisms caused by the Al2O3 nanoparticles. The density of crystal lattice defects and grain refinement contributed to the strengthening of the Ni matrix. The main texture components and lattice parameters were more sensitive to deposit thickness changes than to the amount of alumina nanoparticles embedded in the coatings. The Ni/Al2O3 with the smallest thickness showed the highest lattice parameters of the Ni matrix.

      PubDate: 2018-06-21T15:07:31Z
  • Enhancement of g-C3N4 cathode for inactivation of marine microorganisms in
           ZnWO4 photocatalytic system
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Zhenyu Zhu, Feng Zhou, Su Zhan, Naibao Huang, Qiuchen He
      Generated from photoelectrocatalytic (PEC) reaction systems, hydroxyl radicals can be applied for the treatment of ballast water contaminated with various microorganisms. However, main cathodic and hydrogen evolution reactions have no effect on the inactivation efficiency, which reduces the overall reaction efficiency. Inactivation efficiency can be improved by inducing the oxygen reduction reactions (ORRs) on a cathode. Oxygen can be reduced to H2O2 under 2e− reactions with ORR catalysts, and OH can be produced by H2O2 under ultraviolet (UV) irradiation, which is beneficial to microorganism deactivation. This work investigated the contributions of ORR in a graphene-like carbon nitride (g-C3N4) to the PEC activities of a ZnWO4 anode. Results indicated that microorganisms were deactivated completely after 18 min under 0.7 V bias potential when ORR was used on the g-C3N4 cathode, and thus approximately one of the total time was conserved. ORR on the g-C3N4 cathode plays a key role in PEC inactivation under low voltage potential. The g-C3N4 ORR in seawater involves two electron reactions and generates H2O2, which results in high inactivation efficiency under UV irradiation. This work shows that the search for an efficient 2e− reaction ORR catalyst is of considerable importance in improving ballast water treatment.
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      PubDate: 2018-06-21T15:07:31Z
  • Hierarchical Ni3S2-NiOOH hetero-nanocomposite grown on nickel foam as a
           noble-metal-free electrocatalyst for hydrogen evolution reaction in
           alkaline electrolyte
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Xiuxiu Wang, Renpin Liu, Yan Zhang, Lingxing Zeng, Aihua Liu
      It is a challenge to explore inexpensive noble-metal-free catalysts with long-term stability at low overpotential for water electrolysis to produce hydrogen. Herein, we constructed hierarchical Ni3S2-NiOOH hetero-nanocomposite on nickel foam (NF@Ni3S2-NiOOH) through a two-step hydrothermal and electrodeposition method. The as-prepared NF@Ni3S2-NiOOH catalyst was capable of catalyzing hydrogen evolution reaction effectively with a low overpotential of 160 mV at a current density of 10 mA/cm2 in 1.0 M NaOH, and maintained excellent performance for 45 h without obvious attenuation.

      PubDate: 2018-06-21T15:07:31Z
  • Activation of formyl CH and hydroxyl OH bonds in HMF by the CuO(1 1 1)
           and Co3O4(1 1 0) surfaces: A DFT study
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Jun Ren, Kai-he Song, Zhenhuan Li, Qiang Wang, Jun Li, Yingxiong Wang, Debao Li, Chan Kyung Kim
      The first principle calculations with on-site Coulomb repulsion U terms were carried out to investigate the 5-hydroxymethylfurfural (HMF) adsorption on the CuO(1 1 1) and Co3O4(1 1 0) surfaces, two widely used oxidation catalysts. The adsorption of HMF molecule is energetically favoured in both cases, and HMF is more inclined to bridge adsorption via hydroxyl and formyl groups binding with surface O and metal sites. Moreover, the adsorption energy relies on both the coordination type of surface lattice oxygen to which the H atom binds and the formation of H-bond involving hydroxyl and formyl groups on the adsorbed HMF. Also, the hydroxyl OH bond breaking is very easy and is likely to be the first step in HMF oxidation, and then the OH insertion reaction to produce 2,5-furandicarboxylic acid (FDCA). The corresponding experimental results also show that the CuO and Co3O4 surfaces are promising candidate catalysts.
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      PubDate: 2018-06-21T15:07:31Z
  • Nitrogen-doped porous carbons with ultrahigh specific surface area as
           bifunctional materials for dye removal of wastewater and supercapacitors
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Lijuan Lv, Yan Huang, Dapeng Cao
      In this work, the nitrogen-doped porous carbon (PCM-K) with ultrahigh specific surface areas has been prepared successfully by using biomass pine nut shell as a precursor. The as-synthesized PCM-K exhibits an ultrahigh specific surface area of 3376.1 m2·g−1, a large pore volume of 1.655 cm3·g−1 and a high nitrogen content of 6.25%. By exploring the removal ability of PCM-K for cationic dye methylene blue (MB) in wastewater, and examining the effects of various experimental factors, such as contact time, initial dye concentration, adsorbent dosage and temperature on the MB removal from wastewater, it is found that the PCM-K not only exhibits excellent MB adsorption capacity of 766.9 mg·g−1, which is higher than 704.3 mg·g−1 of rhodamine B and 408.7 mg·g−1 of methyl orange, but also shows almost 100% removal efficiency of MB from wastewater. Owing to the high nitrogen content, the PCM-K also exhibits excellent electrochemical performance as supercapacitors. Galvanostatic charging–discharging measurements showed that the specific capacitance of PCM-K in a three-electrode system reaches 376.4 F·g−1 in 6 M KOH and at a current density of 0.1 A·g−1. The excellent dye removal and electrochemical performances suggest that the biomass-derived nitrogen-doped porous carbons is a promising candidate for wastewater treatment and energy storage.
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      PubDate: 2018-06-21T15:07:31Z
  • Characterization of Ni-Cu matrix, Al2O3 reinforced nano-composite coatings
           prepared by electrodeposition
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Morteza Alizadeh, Hamed Safaei
      In this work, Cu atoms and Al2O3 nanoparticles were simultaneously incorporated into a Ni coating during an electrodeposition process to produce Ni-Cu/Al2O3 nano-composite coatings. Then, the effect of the additions of the Cu and Al2O3 species on some properties of these coatings was investigated. X-ray diffraction and scanning electron microscopy equipped with energy dispersive X-ray spectroscopy were employed for the structural characterization of the products. The mechanical properties of the deposited coatings were also investigated by Vickers microhardness and pin-on-disc wear testing. Also, the corrosion behavior of the produced coatings was investigated in a NaCl solution. Results showed that the addition of Cu atoms and Al2O3 nanoparticles changes the texture of the pure Ni coating and decreases the crystallite size from 91 nm for pure Ni to 16 nm for Ni-Cu/Al2O3 (20 g/L) nano-composite coating. It was also found that the microhardness, wear resistance, and corrosion resistance of the deposited coatings are increased by the incorporation of Cu atoms and Al2O3 nanoparticles in the Ni coating. Typically, the microhardness and wear resistance are increased about 2.4 and 3.75 times, respectively.
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      PubDate: 2018-06-21T15:07:31Z
  • Effect of different zeolite as Pt supports for methanol oxidation reaction
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): A. Medina Ramirez, B. Ruiz Camacho, M. Villicaña Aguilera, I.R. Galindo Esquivel, J.J. Ramírez-Minguela
      In this work, we investigate the effect of zeolite–carbon composite as support of Pt (Pt/zeolite-carbon) on the electrocatalytic activity for methanol oxidation reaction (MOR) in acid media. Three different zeolites were evaluated: faujasite (FAU), merlinoite (W) and analcime (ANA). Zeolite-carbon substrate and Pt nanoparticles were synthesized by sol gel and ultrasound, methods, respectively. FAU zeolite exhibits higher specific surface area constituted by micro and mesoporosity compared to ANA and W zeolites, which are characterized by their mesoporous structure. TEM results shows that Pt/FAU-C enhances the formation of smaller Pt clusters compared to Pt/W-C and Pt/ANA-C which exhibit a homogeneous Pt dispersion. XRD results indicate that Pt/zeolite-C shows different intensity of Pt crystallinity. XPS analysis indicated the presence of Pt0 and Pt2+ on the electrocatalysts. The content of Pt0 was influenced by the nature of the support evaluated. The Pt/FAU-C electrocatalyst exhibited higher electrochemical activity for MOR showing the lowest onset potentials and the highest oxidation current of methanol compared to Pt/W-C, Pt/ANA-C and Pt/C. It was associated with the intrinsic properties of substrates that modify the size, dispersion, crystallinity, electronic density and hydrogen ion spillover for MOR.

      PubDate: 2018-06-21T15:07:31Z
  • Interaction between low rank coal and kaolinite particles: A DFT
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Bao Li, Shengyu Liu, Jianying Guo, Lei Zhang
      In the article, the interaction between low rank coal (LRC) and kaolinite particles was studied using density functional theory (DFT) calculations to interpret the mechanisms of kaolinite coating on LRC flotation. Four representative model molecules with different polarities in LRC, namely, benzoic acid, phenol, benzene and toluene, were taken into account in analyzing the interactions with kaolinite surfaces. The calculated results of adsorption configuration and bonding demonstrate that the interaction of LRC model molecules and kaolinite is the result of the joint actions of benzene rings and oxygen-containing groups. By analyzing adsorption energy, density of state (DOS) and charge transfer, it could be deduced that whether the (0 0 1) or the (0 0  1 ¯ ) surface of kaolinite, van der Waals attraction governs their interaction with LRC model molecules. It also could be concluded that LRC model molecules are more inclined to adsorb on the (0 0 1) surface in comparison with the (0 0  1 ¯ ) surface. However, due to the strong adsorption between the water molecule and the kaolinite (0 0 1) surface, it should be difficult to replace the adsorbed water molecules on the (0 0 1) surface for LRC model molecules. Therefore, the van der Waals attraction between the LRC model molecules and the kaolinite (0 0  1 ¯ ) surface is responsible for the kaolinite coating on LRC flotation. The available literature is in accord with our results.

      PubDate: 2018-06-21T15:07:31Z
  • Fe3+ coordination induced selective fluorination of aramid fiber to
           suppress surface chain scission behavior and improve surface polarity
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Zheng Cheng, Chan Jiang, Yu Dai, Chenbo Meng, Longbo Luo, Xiangyang Liu
      The selective fluorination of aramid fiber surface was reported by Fe3+ coordination on the benzimidazole unit. After the coordination, both of the two parts in benzimidazole unit, benzene ring and imidazole ring, take priority in the reaction with the fluorine gas, while the reaction with the amide bond is restrained. In this way, selective fluorination on benzimidazole unit is achieved, with the surface polarity increasing and chain scission behavior suppressed simultaneously. What’s more, the increased surface polarity enables the improvement of the interfacial shear strength by 24%, compared with that in a traditional fluorination way. In all, the study offers an easy and effective strategy for the regulation and controlling of direct fluorination reaction, and it provides a guideline for further adjustment of the reaction mechanism to meet the requirement in other applications.
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      PubDate: 2018-06-21T15:07:31Z
  • A novel composite of network-like tungsten phosphide nanostructures grown
           on carbon fibers with enhanced electrocatalytic hydrogen evolution
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Keke Xu, Xiuli Fu, Hong Li, Zhijian Peng
      Enhancing the electrocatalytic activity of transition metal phosphides (TMPs) for hydrogen evolution has become an attractive way for noble-metal-free electrocatalysts. In this work, a novel composite of network-like tungsten phosphide nanostructures on carbon fibers (CFs@WP) was prepared by a two-step high-temperature calcination strategy. Owing to the high electrochemical active surface area originating from the WP nanostructures of network-like morphology and the enhanced conductivity caused by the introduction of carbon fibers, the obtained CFs@WP composite, as an integrated hydrogen evolution cathode, exhibits much higher electrocatalytic activity for hydrogen evolution than pure WP nano-/micro-particles after toasting their corresponding suspension onto bare CFs. This catalyst could, in 0.5 mol·L−1 H2SO4, deliver a current density of 10 and 100 mA·cm−2 respectively at the over-potential of merely 137 mV and 215 mV, and present a small Tafel slope of 69 mV·dec−1 as well as excellent stability at various current densities, although it may exhibit relatively inferior catalytic activity in hydrogen evolution in neutral and alkaline conditions. The present strategy may also offer a straight-forward model to enhance the hydrogen evolution activity of other TMPs catalysts.
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      PubDate: 2018-06-21T15:07:31Z
  • Iodine-doped graphene – Catalyst layer in PEM fuel cells
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Adriana Marinoiu, Mircea Raceanu, Elena Carcadea, Mihai Varlam
      Graphene base materials have received appreciable attention as substrate or nanocomposite with nonmetallic catalysts in alternative energy devices and technologies. The end application of iodine-doped (I-doped) graphene in fuel cells has been recently investigated as innovative nanomaterial for oxygen reduction reaction (ORR). Microscopic and spectroscopic techniques (SEM, FTIR, XRF, XPS) have been combined with structural investigation (BET) and electrochemical techniques for a comprehensive characterization of developed ORR catalysts. Moreover, the durability as ORR electrode have been evaluated in order to assess long-term performance. I-doped graphene was prepared by nucleophilic substitution of graphene oxide (GrO) by reduction with HI. The as-synthesized graphene with incorporation of iodine possesses unique structure revealing high surface area, mesopores and vacancies. The structural characteristics and their synergistic effects could not only improve the ions and electrons transportation but also limits the ohmic resistance. Thus the I-doped graphene exhibited superior electrochemical performances as well as long-term stability, which demonstrate that the I-doped graphene with great potential to be an efficient electrode material.

      PubDate: 2018-06-21T15:07:31Z
  • Inkjet printed doped polyaniline: Navigating through physics and chemistry
           for the next generation devices
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Sergio Bocchini, Micaela Castellino, Cristina Della Pina, Krishna Rajan, Ermelinda Falletta, Alessandro Chiolerio
      Innovative benzidine-free PANI-based inks for electrically conductive inkjet printed devices were developed and tested and the results compared with those obtained by traditional PANI. NMR investigations evidenced the presence of quinones and phenolic groups on the backbone of the innovative PANIs that are thought being responsible for the higher solubility in DMSO. A mechanism of reaction was proposed. The numerous characterizations (NMR, UV–Vis, FTIR, XPS and electrical investigations) allowed to compare protonation level, doping level, valence band maximum for both the type of PANI. The correlation among structural properties, printability, conductivity and solubility was discussed.
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      PubDate: 2018-06-21T15:07:31Z
  • Self-assembly of tungstophosphoric acid/acidified carbon nitride hybrids
           with enhanced visible-light-driven photocatalytic activity for the
           degradation of imidacloprid and acetamiprid
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Yanhong Sun, Pengcheng Meng, Xia Liu
      In this paper, a novel efficient hybrid photocatalyst consisting of tungstophosphoric acid (HPW) and acidified carbon nitride (ACN) was successfully prepared. HPW and ACN interact through hydrogen bonding interactions to improve the photocatalytic activity of the HPW/ACN composite by means of enhanced photogenerated hole-electron separation efficiency. Graphitic carbon nitride was treated with a mixture of concentrated nitric acid and sulfuric acid to obtain porous ACN. The composite photocatalyst was then prepared by self-assembly of acidified carbon nitride and HPW under acidic conditions. The characterization results of HPW/ACN indicated the successful introduction of HPW and the effective interaction between HPW and ACN. Based on photocatalytic degradation experiments, it was concluded that HPW could act as the photogenerated electron trapping agent, providing adsorption sites as well as photocatalytic redox reaction sites. Moreover, the HPW/ACN showed excellent performance in the degradation of imidacloprid and acetamiprid under visible light irradiation (λ > 400 nm). The results of photocatalytic degradation revealed that the degradation rate constant of HPW/ACN (0.0058 min−1) was 16 times higher than that of ACN (3.55 × 10−4 min−1) in the photocatalytic degradation of imidacloprid and that the photocatalytic degradation rate constant of HPW/ACN (0.0017 min−1) was 30 times higher than that of ACN (5.64 × 10−5 min−1) in degrading acetamiprid.
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      PubDate: 2018-06-21T15:07:31Z
  • A CO2-triggered hydrophobic/hydrophilic switchable polyurethane
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Gongwen Yang, Xiaotong He, Sheng Cheng, Xueliang Li, Shanzhong Yang, Haibing Wei, Yunsheng Ding
      How to construct a high-performance water-borne polyurethane (WPU) without compromising the properties of traditional solvent-borne PU is a challenging and practical topic. Here we report a CO2-triggered hydrophobic/hydrophilic switchable polyurethane (S-PU) that can regulate its hydrophobicity and hydrophilicity by introducing functional monomer containing tertiary amine group into normal polyurethane chains. By bubbling with carbon dioxide (CO2), the S-PU could be emulsified in water easily and the resulting emulsion displayed high stability (in a sealed vial for more than 120 days at 0–4 °C); On the contrary, by bubbling with inert gas or simply heating, the emulsion could be broken with releasing CO2, so the S-PU flocculated from the water-borne dispersion again. In comparing with a normal water-borne polyurethane, which usually had hydrophilic film surface and showed severe swelling behavior in water, the films of S-PU exhibited excellent water resistance with a lower water absorption (4.50%, 24 h) and higher water contact angle (WCA, 110°). So a new approach to synthesize high-performance WPU was realized, and it could remarkably enhance the practical potential of WPU.

      PubDate: 2018-06-21T15:07:31Z
  • DFT modelling of ethanol on BaTiO3 (0 0 1) surface
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Frank Maldonado, Richard Rivera, Luis Villamagua, Jimmy Maldonado
      The Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA) approach and van der Waals (vdW) corrections have been used to study the molecular adsorption of ethanol over the BaTiO3 (0 0 1) surface. Two kinds of surfaces have been considered: (i) a non-defective surface, and, to model a more realistic system, (ii) a surface with the presence of an oxygen vacancy (VO). Chemisorption and physisorption has been found to occur. The O deficiency included at surface provokes the appearance of a small magnetic moment (−0.48 µB), and the presence of non-confined electrons, which leads to n-type electrical conductivity. In chemisorption, the oxygen of the molecule binds with 2 barium atoms at the surface, while a hydrogen atom is dissociated from the molecule to bind with an oxygen atom at the surface or to occupy the VO region; attained adsorption energies fluctuate from −1.00 eV to −2.26 eV (VO surface). In physisorption, the oxygen of the molecule seems to bind with a barium at the surface, however, no impact over the structure and atomic charges of the molecule or surface has been perceived; obtained adsorption energies range from −0.20 eV to −0.50 eV (VO surface). Computed adsorption energies for clean and VO surfaces show that VO sites are more suitable for molecular adsorption to occur.
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      PubDate: 2018-06-21T15:07:31Z
  • Electronic structure tuning of stanene monolayers from DFT calculations:
           Effects of substitutional elemental doping
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Amirali Abbasi, Jaber Jahanbin Sardroodi
      Stanene is one of the most important quantum spin hall insulators and can be considered as an efficient material for the fabrication electronic and optoelectronic devices and next-generation integrated circuits. Density functional theory calculations were carried out to investigate the band gap variations in stanene, and the effects of elemental doping were taken into account. For the pristine stanene sheet, the valence and conduction bands of stanene consist of Sn 5p orbitals. The pristine stanene system is a zero band gap material with a Dirac cone located at the K point. The Al-doped, B-doped, N-doped and P-doped systems show metallic characteristics. In the Al-doped and B-doped stanene, the Fermi level is shifted towards the valence band edge, while in the N-doped and P-doped ones, the Fermi level shifts towards the conduction band edge. These doped systems behave as degenerate semiconductors, due to the significant shifts in the Fermi levels. Other doping elements such as Si and Ge were also considered in this study. Both Si and Ge-doped stanene show the properties similar to the pristine stanene, which is a consequence of the similar electronic structure of Si, Ge and Sn atoms. In the N-doped stanene, the Dirac cone vanishes, whereas in the other doping patterns, the Dirac cone exists around the Fermi level. The electronic band structure of the Si and Ge-doped systems is principally the same as that of pristine one. Our results thus suggest a theoretical basis for the potential application of such doped systems in electronic and optoelectronic devices.

      PubDate: 2018-06-21T15:07:31Z
  • In situ electrodeposition of mesoporous aligned α-Fe2O3 nanoflakes for
           highly sensitive nonenzymatic H2O2 sensor
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Jiajia Cai, Shilei Ding, Guang Chen, Yunlan Sun, Qian Xie
      Mesoporous aligned hematite nanoflakes (MA-α-Fe2O3) were in situ electrochemically synthesized on the fluorine-doped tin oxide coated glass (FTO) substrate and studied for electrocatalytic reduction and sensing H2O2. Morphology and crystallinity of films were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM). The vertical aligned MA-α-Fe2O3 mesostructured films showed (1 1 0) preferential growth, offering both the fast electron transfer path and diffusion of reactants and products. Thus the sensing performance of MA-α-Fe2O3 displayed an unprecedented sensitivity of 422.5 μA/(mM cm2), a wide linear range up to 3.145 mM and an excellent detection limit of 22 μM. Furthermore, the sensor also exhibited good anti-interference, reproducibility, stability, feasibility for real sample detection. These results indicated that MA-α-Fe2O3 could be a promising electrochemical material as nonenzymatic H2O2 sensor.
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      PubDate: 2018-06-21T15:07:31Z
  • Phase inversion, formation and stability mechanism of
           poly(urethane-acrylate) nanoemulsions based on block-copolymer surfmer
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Haihua Wang, Bei Li, Guiqiang Fei, Yiding Shen, Ke Zhu
      We reported herein the synthesis of block copolymers and their application in the in-situ emulsion polymerization of waterborne poly (urethane-acrylate) (WPUA) nanoemulsions based on phase inversion process. The polymerizable surfmers containing terminal unsaturated double bonds (MSA-r) were successfully synthesized via catalytic chain transfer polymerization (CCTP). Random copolymer (MSA-t) prepared through radical polymerization was utilized as control. The structure, surface tension and aggregation behavior of surfmers were characterized. The phase inversion, formation and stability of WPUA nanoemulsions were systematically investigated. Effects of MSA-r surfmer content and BMA/MMA ratio on the water resistance and thermal stability of the corresponding films were also discussed. It was found that the phase inversion mechanism of PUA prepolymer in the presence of MSA-r surfmers is different from conventional polyurethane prepolymer. The addition of MSA-r and MSA-t surfmers alters the rheological behaviors of PUA prepolymer via PUA-surfmer interactions, as well as the phase inversion process. Compared with WPUA/MSA-t emulsion, WPUA/MSA-r nanoemulsion displayed improved stability at higher solid content. The minimum particle size of WPUA/MSA-r nanoemulsion was 88.7 nm and kept almost constant after 12-month storage, while the particle size of WPUA/MSA-t emulsion was 131.3 nm and increased to 178.9 nm. Moreover, the WPUA/MSA-r film possessed improved water resistance and thermal stability.
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      PubDate: 2018-06-21T15:07:31Z
  • CO2 gas adsorption into graphene oxide framework: Effect of electric and
           magnetic field
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Mohammad Razmkhah, Mohammad Taghi Hamed Mosavian, Fatemeh Moosavi, Ali Ahmadpour
      Effect of external field on CO2 adsorption into graphene oxide framework (GOF) was studied by molecular dynamics simulation. Two regimes of electric and magnetic field in parallel or perpendicular to the linker direction of the GOF were applied. The major changes in CO2 uptake occurs when a strong electric field is applied on the GOF. Magnetization in the both parallel and perpendicular to the linker direction does not affect significantly on adsorption capacity. Results of radial distribution function and potential of mean force showed that the highest CO2-GOF affinity and adsorption energy is responsible for the highest adsorption capacity. A combined radial and angular distribution function analysis showed that a compact perpendicular ordering near the linker is responsible not only for the increase in gas capacity of the GOF by applying strong electric field in the parallel to the linker direction but also diffusion coefficient and transition time from ballistic to Fickian. Furthermore, adsorption capacity of non-treated and magnetized system is affected by temperature; however, applying a stong electric field on the system leads to an insignificant change by temperature variation. It was also observed that increasing electric field leads to increasing the adsorption capacity by an approximately linear correlation. Applying electric field increases selectivity of the CO2.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • Metal oxides and novel metallates coated stable engineered steel for
           corrosion resistance applications
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Sayan Sarkar, Prashant K. Sarswat, Michael L. Free
      Functional materials in the family of ternary metal oxides and metallates have seen surging interest in recent times due to their diverse applications. In this study, we report first-principle calculations and experimental characterization results for a variety of newly mixed metal tungstates and other oxides, which have the potential for corrosion protection of steel in extreme environments. These new mixed oxides/tungstate family have the chemical stoichiometry Fe0.375X0.4375O0.1875, WX0.33O2.66 and FeWX0.5O3.5 (Where X ≡ Ni , Mo , B ), exhibit high electrostatic binding forces resulting in high stabilities as revealed from DFT calculations. Different parameters like entropy, enthalpy, electrostatic forces, and solid solution formability were calculated from first principle calculations for the different stoichiometries, based on which the most stable structure and composition was predicted. By appropriate tuning of chemical composition, such novel mixed metal oxides and metallates were synthesized through a unique solution-based route and further coated on steels. After phase and morphological examination of these coatings, they were subjected to harsh extreme environments, and their corrosion resistive behavior was studied through polarization tests and electrochemical impedance spectroscopy (EIS). The corrosion resistance of many of these coated substrates was observed to be robust with high coating capacitance, and corrosion resistance was found to be highest in the case of boron mixed tungstate oxide, which is also consistent with first principle calculations that reveal high stability. Incorporation of these stable ternary mixed metal oxides/metallates (tungstates) can have great potential for preservation and the protection of steel in harsh environments.

      PubDate: 2018-06-21T15:07:31Z
  • Laser processing of silicon for photovoltaics and structural phase
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Zeming Sun, Mool C. Gupta
      High-power nanosecond-pulse-width laser processing is attracting increasing attention for the manufacturing of low-cost high-performance silicon photovoltaic and microelectronic devices. However, the lack of fundamental understanding of laser induced defect formation and phase transformation hinders the broader application of lasers. To address this, we systematically investigated the laser-induced phase transformation using different laser systems of 532 nm wavelength, 1.3 ns pulse width and 1064 nm wavelength, 50 ns pulse width. In doing this, we carried out cross-sectional transmission electron microscopy (TEM) and Raman spectroscopy line-mapping studies to analyze the local phase information across the laser processed spot. We demonstrate the retention of single-crystalline phase under 1.64 J/cm2 fluence using a 532 nm wavelength laser. This retention of single-crystalline phase is important for ensuring high effective carrier lifetime and hence high photovoltaic conversion efficiency. Moreover, the 1064 nm wavelength laser processed samples under increasing fluences showed a phase evolution from crystalline to amorphous/polycrystalline transformation. After 1064 nm laser processing above 1.47 J/cm2 fluences, microtwins with dislocations were observed, in addition to increasing expansion stress. Additionally, the appearance of extra spots in the (3 1 1) diffraction ring pattern obtained by TEM studies of samples processed at 1.60 J/cm2 fluence using a 1064 nm laser, demonstrates the generation of a high density of dislocations.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • Adsorption sensitivity of Fe decorated different graphene supports toward
           toxic gas molecules (CO and NO)
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Zhengyang Gao, Yao Sun, Minghui Li, Weijie Yang, Xunlei Ding
      Sensitivity of Fe-decorated graphene with three different graphene-based supports (single vacancy, double vacancy and four nitrogen decorated) toward toxic gas CO and NO has been investigated by first-principles density functional theory (DFT) calculations. The adsorption configuration, adsorption energy, charge transfer, density of states, competitive behaviors of CO and NO on Fe/GN are thoroughly discussed. Furthermore, Fermi softness is investigated to evaluate the reactivity of the Fe/GN substrates surface. It is found that NO is strongly adsorbed on Fe/GN with considerable adsorption energy of 2.04–2.41 eV, while CO is relatively weaker adsorbed on the same substrates with adsorption energy of 1.10–1.53 eV. Based on our calculation, when CO and NO exist simultaneously, the possibility of adsorption CO can be neglected on the Fe/GN surface. In addition, Fermi softness is a good descriptor to characterize the reactivity of our Fe/GN surface. Our results could provide crucial information for adsorption sensing of NO on Fe/GN, which may be a useful clue for the design and fabrication of Fe-decorated graphene as NO sensors and adsorbent.

      PubDate: 2018-06-21T15:07:31Z
  • Morphology controlled synthesis of CeTiO4 using molten salts and enhanced
           photocatalytic activity for CO2 reduction
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Reshalaiti Hailili, Daniel L. Jacobs, Ling Zang, Chuanyi Wang
      Incorporation of visible light active semiconductors without doping noble (transition) metals results in remarkably different construction principle of visible light driven photocatalysts in which light absorptions and charge transfer become more flexible and efficiencies are no longer limited in ultraviolet (UV) region. Herein, we provide a strategy to design efficient photocatalysts by introducing visible light sensitive Ce2O3 into UV active TiO2 via molten salt synthesis (MSS) of CeTiO4 for visible light CO2 reduction. By changing salt composition in the MSS process, the nanostructured CeTiO4 was prepared and exhibited distinct morphologies e.g., nanorods (NaClNaH2PO4), polyhedrons (KClNaCl) and cubic (KClNa2SO4), respectively. Of the different morphologies, the nanorods of CeTiO4 showed best photoactiviy with quantum efficiencies of 0.36% and 0.065% for CO and CH4 formation, respectively. The unique morphologies well positioned band edges cause such obvious differences and co-contribute to the high performance effectiveness. This study demonstrates a strategy for the rational design and fabrication of visible light driven photocatalysts with controlled morphology, which in turn, can enhance the control and production of value-added products of CO2 reduction. This is an important step towards realizing the utilization of renewable energy sources, such as solar power, to reduce the concentration of atmospheric CO2 and form green energy sources.

      PubDate: 2018-06-21T15:07:31Z
  • Facile electrostatic self-assembly of silicon/reduced graphene oxide
           porous composite by silica assist as high performance anode for Li-ion
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Ming-Shan Wang, Zhi-Qiang Wang, Ran Jia, Yi Yang, Fang-Yu Zhu, Zhen-Liang Yang, Yun Huang, Xing Li, Wu Xu
      Silicon(Si)/graphene composite has been regarded as one of the most promising candidates for next generation anode materials with high power and energy density in lithium ion batteries. Introduction of graphene in Si anodes could improve the electronic conductivity, suppress the severe volume expansion of Si, and facilitate the formation of stable solid electrolyte interphase, etc. However, traditionally mechanical mixing of Si and graphene cannot realize uniform distribution of Si particles on the graphene sheets, which would largely weaken the effectiveness of the graphene in the composite. In this work, nano-Si/reduced graphene oxide porous composite (p Si/rGO) has been fabricated by a facile electrostatic self-assembly approach via using SiO2 as the sacrificial template. Compared with the simply mechanically mixed nano-Si and rGO (Si/rGO), the nano-Si particles could be more uniformly dispersed among the rGO sheets in the p Si/rGO, which significantly increases its electronic conductivity. Moreover, the drastic volume expansion of nano-Si during repeated lithiation/delithiation cycles also has been effectively accommodated by the large number of pores left after removing the SiO2 template in the composite. Thus, the p Si/rGO presented largely enhanced electrochemical performances, showing a high reversible capacity up to 1849 mA h g−1 at 0.2 A g−1 with good capacity retention, and high rate capability (535 mA h g−1 at 2 A g−1).
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • One-step integration of the C/NiCo2O4 mesoporous nanoneedle arrays on Ni
           foam for high-performance hybrid supercapacitors
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Menghan Ye, Li Ma, Mengyu Gan, You Zhou, Xiurong Li, Feifei Cao, Fabing Yan, Yanfang Zhai
      In this work, the uniform C/NiCo2O4 mesoporous nanoneedle arrays grown on Ni foam (NF) as a composite electrode are synthesized by a facile one-step hydrothermal and annealing processes. Due to the introduction of the carbon originating from glucose in hydrothermal process, the electrochemical performances of the hybrid electrode are effectively improved compared to the NiCo2O4. The unique structure is beneficial for facilitating ion transport between electron and electrolyte and accelerating the redox reaction, which makes the composite deliver prominent electrochemical properties, including a high areal capacitance (4.974 F/cm2 at 2 mA/cm2), remarkable rate capability and cycling stability. In addition, the C/NiCo2O4 electrode has a bright prospect for high performance supercapacitor applications because of excellent electrochemical performances and an easy synthetic method.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • Dual Z-scheme g-C3N4/Ag3PO4/Ag2MoO4 ternary composite photocatalyst for
           solar oxygen evolution from water splitting
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Wei Liu, Jun Shen, Xiaofei Yang, Qinqin Liu, Hua Tang
      Semiconductor-based solar-driven photocatalytic water splitting has been considered as one of the most promising solutions to solve the problem of fossil-based energy crisis, while the development of advanced photocatalytic materials for high-performance oxygen evolution from water splitting is the biggest challenge we are facing. We report the fabrication of novel g-C3N4/Ag3PO4/Ag2MoO4 ternary composite materials and the exploration of heterostructure materials for water oxidation under LED illumination. The hybridization of three semiconductors has been confirmed by microscopic study, chemical and structural analyses. Enhanced oxygen-producing activity over the obtained ternary composite photocatalysts was observed. The reasons responsible for the enhanced oxygen-evolving performance can be ascribed to the improved light absorption toward visible light, faster charge separation and charge transportation, as well as more powerful water oxidation capability originating from the in-situ construction of dual Z-scheme-type channels under visible light irradiation. The key role of in-situ formed metallic Ag as the electron mediator is suggested based on the theoretical and experimental results. The successful synthesis of fascinating ternary water oxidation photocatalysts provides new insights into the development of novel all-solid-state Z-scheme photocatalytic systems for energy and environmental applications.
      Graphical abstract image

      PubDate: 2018-06-21T15:07:31Z
  • Design of a difunctional Zn-Ti LDHs supported PdAu catalyst for selective
           hydrogenation of phenylacetylene
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Yongli Shen, Kangjuan Yin, Cuihua An, Zihui Xiao
      To suppress hydrogenation of alkene at complete alkyne conversion, a difunctional Zn-Ti layered double hydroxides (LDHs) supported bimetallic PdAu alloy catalyst with alkalinity was designed and prepared by a photochemical reduction method. On the basic of TEM and XPS results, the formation of Pd-Au alloy was determined. The alloy nanoparticles had incorporated into the interlayer region of LDHs, giving a strong interaction between them. As expected, the PdAu/ZnTi catalysts exhibited excellent styrene selectivity (over 90%) even when the reaction time was prolonged (6 h) after full conversion of phenylacetylene. Such excellent selectivity is attributed to the synergistic effect between bimetallic alloy nanoparticles and Zn-Ti LDHs. The selective formation of polar hydrogen species derived from the heterolytic dissociation of H2 at the interface between PdAu alloy and basic sites of Zn-Ti LDHs is more favorably reactive to alkyne compared with alkene. Moreover, the Zn-Ti LDHs supported PdAu catalyst exhibited great recyclability. The difunctional catalyst is expected to be potentially promising for industrial applications.
      Graphical abstract image

      PubDate: 2018-06-18T18:46:00Z
  • Kinetic spraying of silver nanowire blended graphite powder to fabricate
           transparent conductive electrode and their application in electrochromic
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Hyungsub Kim, Yunchan Park, Dahyun Choi, Won Shik Chu, Sung-Hoon Ahn, Doo-Man Chun, Caroline Sunyong Lee
      A transparent conductive electrode (TCE) using the mxiture of graphite and silver nanowires (AgNWs) powder was fabricated with a nanoparticle deposition system (NPDS), a facile dry deposition approach using a graphite-AgNW powder mixture. The deposited film formed a composite structure with few-layered graphene, single layered graphene sheets, and AgNWs forming a fused junction under optimal heat treatment at 80 °C. The sheet resistance of the deposited film was measured to be 24–28 Ω/□, in accordance with values measured for commercial TCEs. Transmittance of 58–67% was measured for the deposited sample, which was lower than the 20–30% measured for conventional TCEs, due to scattering of incident light by few-layered graphene and AgNWs within the deposited film. An electrochromic (EC) cell with fabricated TCE performed well, showing a transmittance change of 15% at its wavelength of 630 nm. CV measurements were conducted for 500 cycles to confirm the stability of the EC device and TCE, and no performance degradation was observed for the device after 500 cycles, which represents good cyclic stability. Therefore, a TCE using graphite and AgNWs was successfully fabricated using the facile NPDS process, which represents a new fabrication process for TCEs based on graphene and AgNWs.
      Graphical abstract image

      PubDate: 2018-06-18T18:46:00Z
  • Synthesis and surface characterization of self-assembled monolayers of
           thiazoles incorporating hydrocarbon and fluorocarbon chains on copper
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Shujun Chen, Bin Xiang, Siyi Chen, Xuefeng Zou, Yang Zhou, Jian Hou
      A series of novel thiazoles incorporated with hydrocarbon and fluorocarbon chains using to form self-assembled monolayers (SAMs) on copper substrates were prepared. The SAMs were investigated by Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS) and contact angle measurements, and the results support that these thiazoles are successfully adsorbed on the substrates, forming hydrophobic films. The anti-corrosion effect of the SAMs was determined by weight loss experiments, scanning electron microscopy and electrochemical methods. It is revealed that the protection ability of the SAMs is detected by the thiazoles concentration, immersion time and fluorocarbon chain length. Quantum chemical calculations were employed to correlate the adsorption mechanism with the structure of the thiazoles molecules.
      Graphical abstract image

      PubDate: 2018-06-18T18:46:00Z
  • Density functional theory study of Al/NbB2 heterogeneous nucleation
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Ziming Zhuo, Hongkui Mao, Hong Xu, Yizheng Fu
      By using density functional theory based on the first-principles method, the interfacial adhesion, stability and bonding nature of Al(1 1 1)/NbB2 (0 0 0 1) were studied to investigate the heterogeneous nucleation potential of α-Al grains on NbB2 particles. For Al(1 1 1)/NbB2 (0 0 0 1) interface, there are six different models that are Nb-terminated and B-terminated interfaces with different stacking sequences (top-site, hollow-site, and bridge-site), respectively. The research show that B-terminated-hollow-sited interface with the largest work of adhesion and smallest interfacial energy is the most stable and preferred among six different models, and interfacial energy of the model is lower than that of α-Al/Al melt, 0.15 J/m2. Furthermore, the difference charge density and partial density of states are presented to discuss bonding nature of the interface. B-terminated-hollow-sited interface have more covalent features than that of the others. For Nb-terminated-hollow-sited interface, Nb–Al metallic bonds are formed across interface. As a result, α-Al grains is inclined to form nucleus on the B-terminated-hollow-sited NbB2 (0 0 0 1).
      Graphical abstract image

      PubDate: 2018-06-18T18:46:00Z
  • Highly transparent and flexible NO2 gas sensor film based on MoS2/rGO
           composites using soft lithographic patterning
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Min Wook Jung, Sang Myeoung Kang, Ki-Ho Nam, Ki-Seok An, Bon-Cheol Ku
      The MoS2/GO hybrid composite thin film is prepared by a facile solution mixing process. To reduce the composite film spin-coated on a SiO2 (300 nm)/Si substrate, thermal annealing at 600 °C for 1 h in a N2 atmosphere is used. The thermally reduced GO (rGO) composite film is subjected to line patterning through a soft lithographic patterning method, and the patterned MoS2/rGO composite thin film is re-transferred onto a PET film from the Si substrate. The patterned MoS2/rGO composite thin film has a thickness of about 10 nm and the transmittance of the patterned MoS2/rGO composite thin film on the PET substrate is 93%. The NO2 gas sensor device is fabricated and its basic characteristics are systematically investigated. The patterned MoS2/rGO composite thin film gas sensor has a sensitivity at least four times higher than the pure rGO thin film gas sensor. In addition, the characteristics of the sensor device are also maintained at a bending radius of 14 mm. This transparent and flexible patterned MoS2/rGO composite thin film can be used as a highly sensitive gas sensor that will detect a concentration as low as 0.15 ppm of harmful gases such as NO2.

      PubDate: 2018-06-18T18:46:00Z
  • Molecular dynamics study of the effect of point defects on the stress at
           the Si/Ge interface
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Xian Chen, Jing Zhang, Liang Han, Zhaohuan Tang
      This paper investigates the stress distribution at the Si/Ge interface and the stress release mechanism of the point defect buffer layer with the molecular dynamics simulation method. The results show that the stress relaxation at the Si/Ge interface is closely related to the size of the X-Y plane of the simulation. The vacancy defect is introduced to the Ge film near the Si/Ge interface and a point defect rich buffer layer forms which reduces the stress at the Si/Ge interface significantly. In addition, the point defect buffer layer brings a new interface between the buffer layer and the Ge film called the defect interface, which has great impacts on the stress within the Ge films. Moreover, the thickness of the buffer layer influences stress both at the Si/Ge interface and the defect interface. The paper also examines the mechanism by which the buffer layer affects the interface stress. The examination shows that the introduction of the defect buffer layer into the growth of the pure Ge film on silicon can reduce the probability of the dislocation defect by structuring the defect density and thickness of the buffer layer to reduce interface stress.

      PubDate: 2018-06-18T18:46:00Z
  • Super critically synthesized V2O5 spheres based supercapacitors using
           polymer electrolyte
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): K. Kannagi
      V2O5 spheres were successfully synthesized via solvothermal treatment using a super critical fluid. Structural, morphological and electrochemical properties of the V2O5 spheres were analysed. X-ray diffraction analysis confirms the formation of V2O5 with orthorhombic structure. Scanning electron microscopic images shows the formation of spheres and High resolution transmission electron microscopic images confirms the formation of spheres. The V2O5 sphere exhibits the maximum specific capacitance of 451 F g−1 at a scan rate of 2 mV s−1. Galvanostatic charge discharge (GCD) analysis reveals the maximum specific capacitance of 431 F g−1 at the current density of 0.5 A g−1. Asymmetric V2O5//AC device exhibits the energy density of 27.4 W h kg−1 and a power density of 747.3 W kg−1 with excellent cyclic stability i.e., 94% capacitance retention even at 2000 cycles.
      Graphical abstract image

      PubDate: 2018-06-18T18:46:00Z
  • Hybrid ZnO:Ag core-shell nanoparticles for wastewater treatment : Growth
           mechanism and plasmonically enhanced photocatalytic activity
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Jeevan Jadhav, Somnath Biswas
      Finely dispersed ZnO (core):Ag (shell) nanostructures were prepared following a simple two-step chemical process. The technique allowed a precisely controlled thin surface coating of Ag, and offers a convenient way for surface functionalization of the ZnO nanoparticles. Substantial improvement in the UV emission confirms intense excitation of the surface plasmons supported by a highly effective metal-semiconductor interfacing in the ZnO:Ag hybrid nanostructures. Besides, the surface modification radically enhanced the light-induced catalytic activity of the ZnO nanoparticles. The superior photocatalytic performance was accredited to the Schottky barrier junctions formed between the ZnO core and Ag shell, which efficiently facilitates the separation of electrons (e− ) and holes (h+ ), and formation of reactive oxygen species. Photocatalytic degradation of chemical dyes was studied to evaluate the usefulness of the developed samples for wastewater treatment. A possible charge transfer mechanism to elucidate the improvement in the photocatalytic activity was also discussed.
      Graphical abstract image

      PubDate: 2018-06-18T18:46:00Z
  • Theoretical investigation of selective hydrogenation of 1,3-butadiene on
           Pt doping Cu nanoparticles
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): D. Liu, H.Y. Chen, J.Y. Zhang, J.Y. Huang, Y.M. Li, Q.M. Peng
      Recent results confirm that a single-atom Pt alloy effectively catalyzes hydrogenation of 1,3-butadiene. Here the C4H6 hydrogenation mechanisms on Pt doping Cu nanoparticles are studied using density functional theory simulations. The simulation results indicate that H2 dissociation on the surfaces of pure Cu is impossible at room temperature. However, the structure of Pt-doped Cu makes hydrogen decomposition process easier. The combination of H2 and C4H6 on the Pt single-atom site is possible since the corresponding reaction barrier values are less than 0.71 eV. The generated 1-C4H8 or 2-C4H8 molecule can not be co-adsorbed with H2 on the Pt single-atom site. Even if H2 is pre-decomposed as hydrogen atoms, they also can not react with C4H8 on the Pt single-atom site at room temperature since the corresponding reaction barrier values are more than 0.90 eV. The co-adsorption of H2 and C4H8 on Pt diatomic sites is probable, and the further saturated hydrogenation to generate C4H10 is promising due to a small reaction barrier (∼0.66 eV).
      Graphical abstract image

      PubDate: 2018-06-18T18:46:00Z
  • Influence of ZnCl2 concentration on the structural and optical properties
           of electrochemically deposited nanostructured ZnO
    • Abstract: Publication date: 31 October 2018
      Source:Applied Surface Science, Volume 456
      Author(s): Konstantin Lovchinov, Georgi Marinov, Miroslav Petrov, Nikolay Tyutyundzhiev, Tsvetanka Babeva
      These works present the electrochemical deposition of ZnO nanostructured thin films on glass substrates covered by SnO2 thin films. Nanostructured ZnO films are obtained by an electrochemical process using a three-electrode system with a saturated calomel electrode as reference electrode, in aqueous solution containing ZnCl2 and KCl. The influence of ZnCl2 concentration on the structural properties of the obtained ZnO layers is investigated by X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and optical profilometry. The SEM micrographs show that the ZnO films consist of nanograins at lower ZnCl2 concentrations that transform in a shape of walls at the highest one. The XRD spectra demonstrate the polycrystalline nature of the films at all studied concentrations with the presence of (1 0 0), (0 0 2), (1 0 1), (1 0 2), (1 1 0) and (1 0 3) characteristic reflexes of the ZnO. The influence of the ZnCl2 concentration on the transmittance and reflectance spectra and haze ratio of ZnO thin films is presented and discussed. The ZnO nanostructured layers exhibit high values of the diffuse transmission and reflection in the 400–900 nm spectral range; they can be applied as rear contacts of thin films solar cells thus increasing the light trapping.

      PubDate: 2018-06-18T18:46:00Z
  • Comprehensive theoretical prediction of the dynamics and stability
           properties of Tegafur pharmaceutical agent on the Graphene based
           nanostructures in aqueous environment
    • Authors: Mahnaz Shahabi; Heidar Raissi
      Abstract: Publication date: 15 October 2018
      Source:Applied Surface Science, Volume 455
      Author(s): Mahnaz Shahabi, Heidar Raissi
      In this study, the molecular dynamics (MD) simulations are applied to elucidate the mechanisms governing the dynamics and binding strength of Tegafur (TG) anticancer drug interacting with two-dimensional carbon-based nanomaterials including hydroxyl (G-OH) and carbonyl (G-CO) functionalized Graphene nanosheets as well as Graphene oxide (GO). It is found that Tegafur drug exhibits the strongest affinity for the adsorption on Graphene oxide in terms of van der walls (vdW) amount energy. Furthermore, the total number of hydrogen bonding (HB) for the interaction of TG drug with GO is more than those with G-OH and G-CO models which be associated with maximum number of contacts between Tegafur molecules and Graphene oxide and higher stability. Based on these results, selection of Graphene oxide nanosheet as the suitable nano-carrier plays an important role in the greater effectiveness of TG drug with further experimental and theoretical investigations of nanoscale drug delivery systems.

      PubDate: 2018-05-28T07:09:04Z
  • Evolution of wrinkles with spiral crack on stiff film/compliant substrate
           under controllable micro-probe loading
    • Authors: Sun Liping; Yan Chaorong Benyong Chen
      Abstract: Publication date: 15 October 2018
      Source:Applied Surface Science, Volume 455
      Author(s): Yi Sun, Liping Yan, Chaorong Li, Benyong Chen
      Global wrinkling can be widely observed in nature and engineering materials, however, the dynamic evolution of localized wrinkles is seldom observed in experiments. In this paper, a controllable micro-probe is applied to an ultrathin Au film deposited onto a thick PDMS substrate to demonstrate the co-evolution of the localized wrinkles and crack. The experiment shows that the film subjected to the increasing indentation will produce two stress relief mechanisms: the tensile stress is relieved by the formation of spiral crack and the compressive stress is relieved by the formation of radial wrinkles. The crack forms near the edge of the probe tip and then propagates along right- or left-handed spiral path. Meanwhile, the high compressive stress is generated and contained in a narrow strip between consecutive passes of the spiral crack, which causes the propagation of the crack to be always accompanied by wrinkles. As the indentation increases, circular crack tends to be formed in the film and the crack propagation is ceased. The localized wrinkling and cracking patterns may have potential applications in some fields.
      Graphical abstract image

      PubDate: 2018-05-28T07:09:04Z
  • Two-dimensional WS2-based nanosheets modified by Pt quantum dots for
           enhanced room-temperature NH3 sensing properties
    • Authors: Chao Ouyang; Yunxiang Chen Ziyu Qin Dawen Zeng Jian Zhang
      Abstract: Publication date: 15 October 2018
      Source:Applied Surface Science, Volume 455
      Author(s): Chao Ouyang, Yunxiang Chen, Ziyu Qin, Dawen Zeng, Jian Zhang, Hao Wang, Changsheng Xie
      As a typical two-dimensional (2D) layered transition metal dichalcogenides (TMDs), tungsten disulfide (WS2) has been considered as a promising sensing material for room-temperature NH3 detection. However, the bulk WS2-based room-temperature NH3 sensors can hardly recover to its initial state after turning off gas. Although the recovery rate of bulk WS2 was accelerated by thinning method, the response of few- or monolayer WS2 nanosheets (NSs) to NH3 was sharply decreased. Here, in premise of keeping fast recovery rate, few- or monolayer WS2 NSs modified with Pt quantum dots (QDs) were prepared for room-temperature NH3 detection, which exhibited significantly enhanced sensing properties with fast recovery speeds. Especially, the response of nanocomposite to 250 ppm NH3 is nearly 10 times than that of WS2 NSs, which could be attributed to the significantly decreased initial conductivity caused by electrons flowing from higher Fermi level of Pt QDs to that of WS2 NSs and the higher catalytic activity. Furthermore, the PtS bonds confirmed by XPS results could benefit electrons transfer between the interface. We hope that the 0D/2D heterostructure system in this work could provide a direction to improve sensing properties of 2D TMDs-based room-temperature sensors.
      Graphical abstract image

      PubDate: 2018-05-28T07:09:04Z
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