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Acta Acustica united with Acustica     Full-text available via subscription   (Followers: 7)
Acta Mechanica     Hybrid Journal   (Followers: 15)
Advanced Composite Materials     Hybrid Journal   (Followers: 14)
Advanced Functional Materials     Hybrid Journal   (Followers: 34)
Advanced Materials     Hybrid Journal   (Followers: 338)
Advances in Condensed Matter Physics     Open Access   (Followers: 6)
Advances in Exploration Geophysics     Full-text available via subscription   (Followers: 3)
Advances in Geophysics     Full-text available via subscription   (Followers: 4)
Advances in High Energy Physics     Open Access   (Followers: 12)
Advances in Imaging and Electron Physics     Full-text available via subscription   (Followers: 1)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 13)
Advances in Natural Sciences: Nanoscience and Nanotechnology     Open Access   (Followers: 14)
Advances in OptoElectronics     Open Access   (Followers: 3)
Advances In Physics     Hybrid Journal   (Followers: 7)
Advances in Physics Theories and Applications     Open Access   (Followers: 4)
Advances in Remote Sensing     Open Access   (Followers: 8)
Advances in Synchrotron Radiation     Hybrid Journal   (Followers: 1)
AIP Advances     Open Access   (Followers: 4)
AIP Conference Proceedings     Full-text available via subscription   (Followers: 1)
American Journal of Applied Sciences     Open Access   (Followers: 28)
American Journal of Condensed Matter Physics     Open Access   (Followers: 2)
American Journal of Signal Processing     Open Access   (Followers: 8)
Analysis and Mathematical Physics     Hybrid Journal   (Followers: 1)
Annalen der Physik     Hybrid Journal   (Followers: 2)
Annales Geophysicae (ANGEO)     Open Access   (Followers: 3)
Annales Henri PoincarĂ©     Hybrid Journal   (Followers: 2)
Annales UMCS, Physica     Open Access  
Annals of Nuclear Medicine     Hybrid Journal   (Followers: 3)
Annals of Physics     Hybrid Journal   (Followers: 2)
Annual Reports on NMR Spectroscopy     Full-text available via subscription   (Followers: 1)
Annual Review of Analytical Chemistry     Full-text available via subscription   (Followers: 9)
Annual Review of Condensed Matter Physics     Full-text available via subscription   (Followers: 1)
Annual Review of Materials Research     Full-text available via subscription   (Followers: 4)
APL Materials     Open Access   (Followers: 4)
Applied Composite Materials     Hybrid Journal   (Followers: 9)
Applied Physics A     Hybrid Journal   (Followers: 9)
Applied Physics Frontier     Open Access   (Followers: 1)
Applied Physics Letters     Hybrid Journal   (Followers: 25)
Applied Physics Research     Open Access   (Followers: 6)
Applied Physics Reviews     Hybrid Journal   (Followers: 7)
Applied Radiation and Isotopes     Hybrid Journal   (Followers: 5)
Applied Remote Sensing Journal     Open Access   (Followers: 9)
Applied Spectroscopy     Full-text available via subscription   (Followers: 12)
Applied Spectroscopy Reviews     Hybrid Journal   (Followers: 2)
Archive for Rational Mechanics and Analysis     Hybrid Journal   (Followers: 3)
Astronomy & Geophysics     Hybrid Journal   (Followers: 1)
Astrophysical Journal Letters     Full-text available via subscription   (Followers: 3)
Astrophysical Journal Supplement Series     Full-text available via subscription   (Followers: 3)
Atoms     Open Access  
Attention, Perception & Psychophysics     Full-text available via subscription   (Followers: 5)
Autonomous Mental Development, IEEE Transactions on     Hybrid Journal   (Followers: 5)
Axioms     Open Access  
Bangladesh Journal of Medical Physics     Open Access  
Bauphysik     Hybrid Journal   (Followers: 1)
Biomaterials     Hybrid Journal   (Followers: 30)
Biomedical Engineering, IEEE Reviews in     Full-text available via subscription   (Followers: 15)
Biomedical Engineering, IEEE Transactions on     Hybrid Journal   (Followers: 12)
Biomedical Imaging and Intervention Journal     Open Access   (Followers: 5)
Biophysical Reviews     Hybrid Journal  
Biophysical Reviews and Letters     Hybrid Journal   (Followers: 3)
BMC Biophysics     Open Access   (Followers: 7)
BMC Nuclear Medicine     Open Access   (Followers: 5)
Brazilian Journal of Physics     Hybrid Journal  
Broadcasting, IEEE Transactions on     Hybrid Journal   (Followers: 5)
Bulletin of Materials Science     Open Access   (Followers: 39)
Bulletin of the Atomic Scientists     Full-text available via subscription   (Followers: 4)
Bulletin of the Lebedev Physics Institute     Hybrid Journal   (Followers: 1)
Bulletin of the Russian Academy of Sciences: Physics     Hybrid Journal  
Caderno Brasileiro de Ensino de FĂ­sica     Open Access  
Canadian Journal of Physics     Full-text available via subscription   (Followers: 1)
Cells     Open Access   (Followers: 1)
Central European Journal of Physics     Hybrid Journal   (Followers: 1)
CERN courier. International journal of high energy physics     Free  
Chinese Journal of Astronomy and Astrophysics     Full-text available via subscription   (Followers: 1)
Chinese Journal of Chemical Physics     Hybrid Journal   (Followers: 1)
Chinese Physics B     Full-text available via subscription  
Chinese Physics C     Full-text available via subscription  
Chinese Physics Letters     Full-text available via subscription  
Cohesion and Structure     Full-text available via subscription   (Followers: 2)
Colloid Journal     Hybrid Journal   (Followers: 2)
Communications in Mathematical Physics     Hybrid Journal   (Followers: 2)
Communications in Numerical Methods in Engineering     Hybrid Journal   (Followers: 3)
Communications in Theoretical Physics     Full-text available via subscription   (Followers: 1)
Composites Part A : Applied Science and Manufacturing     Hybrid Journal   (Followers: 35)
Composites Part B : Engineering     Hybrid Journal   (Followers: 34)
Computational Materials Science     Hybrid Journal   (Followers: 18)
Computational Mathematics and Mathematical Physics     Hybrid Journal   (Followers: 1)
Computational Particle Mechanics     Hybrid Journal  
Computational Science and Discovery     Full-text available via subscription  
Computer Physics Communications     Hybrid Journal  
Contemporary Concepts of Condensed Matter Science     Full-text available via subscription  
Contemporary Physics     Hybrid Journal   (Followers: 10)
Continuum Mechanics and Thermodynamics     Hybrid Journal   (Followers: 3)
Contributions to Plasma Physics     Hybrid Journal   (Followers: 2)
COSPAR Colloquia Series     Full-text available via subscription   (Followers: 1)
Cryogenics     Hybrid Journal   (Followers: 14)
Current Applied Physics     Full-text available via subscription   (Followers: 4)
Diamond and Related Materials     Hybrid Journal   (Followers: 12)
Differential Equations and Nonlinear Mechanics     Open Access   (Followers: 4)
Doklady Physics     Hybrid Journal   (Followers: 1)

        1 2 3 4 5 6 | Last

Chinese Journal of Chemical Physics
   Journal TOC RSS feeds Export to Zotero [3 followers]  Follow    
   Hybrid Journal Hybrid journal (It can contain Open Access articles)
     ISSN (Print) 1674-0068
     Published by American Institute of Physics (AIP) Homepage  [30 journals]   [SJR: 0.253]   [H-I: 11]
  • Laser-induced Fluorescence Spectroscopy of NiCl in 12900–15000 cm
    • Authors: Cheng-bing Qin; Jian-zheng Zang, Qun Zhang Yang Chen
      First page: 631
      Abstract: Laser-induced fluorescence excitation spectra of jet-cooled NiCl molecules were recorded in the energy range of 12900–15000 cm −1 . Six vibronic bands with rotational structure have been observed and assigned to the [13.0] 2 Π 3/2 (ν′= 0–5)- X 2 Π 3/2 (ν″=0) transition progression. The relevant rotational constants, significant isotopic shifts, and (equilibrium) molecular parameters have been determined. In addition, the lifetimes of the observed bands have also been measured.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Linear and Nonlinear Optical Properties of Novel Multi-branched Oligomers
    • Authors: Li-jing Gong; Ying-hui Wang, Zhi-hui Kang, Tian-hao Huang, Ran Lu Han-zhuang Zhang
      First page: 636
      Abstract: We investigate the fluorene-vinylene unit dependent photo-physical properties of multi-branched truxene based oligomers (Tr-OFV n , n =1–4) employing steady-state absorption and emission spectroscopy, transient absorption spectroscopy, two-photon fluorescence, and z-scan technique. The results show that the increasing of fluorene-vinylene unit leads to a red-shift in the spectra of absorption and fluorescence, and shortens the excited state lifetime. Meanwhile, two-photon fluorescence efficiency and two-photon absorption cross section of truxene based oligomers gradually enhance in company with the extension of π-conjugated length. In addition, the values of two-photon absorption cross section modeled on the sum-over-state approach agree well with the experimental ones. The results indicate multi-branched truxene based oligomers bearing oligo(fluorene-vinylene) arms are promising organic materials for two-photon applications.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Density Functional Theory Study on Interaction between Catechin and
    • Authors: Wan-fei Cai; Yan Zheng, Lai-cai Li An-min Tian
      First page: 642
      Abstract: The interacting patterns and mechanism of the catechin and thymine have been investigated with the density functional theory Becke's three-parameter nonlocal exchange functional and the Lee, Yang, and Parr nonlocal correlation functional (B3LYP) method by 6−31+G * basis set. Thirteen stable structures for the catechin-thymine complexes have been found which form two hydrogen bonds at least. The vibrational frequencies are also studied at the same level to analyze these complexes. The results indicated that catechin interacted with thymine by three different hydrogen bonds as N—H···O, C—H···O, O—H···O and the complexes are mainly stabilized by the hydrogen bonding interactions. Theories of atoms in molecules and natural bond orbital have been adopted to investigate the hydrogen bonds involved in all systems. The interaction energies of all complexes have been corrected for basis set superposition error, which are from −18.15 kJ/mol to −32.99 kJ/mol. The results showed t...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Softening of C—H Symmetric Stretching Vibrational Modes for CH 2 and
           CH 3 Radicals Adsorbed on Cu n ( n =1–6) Clusters
    • Authors: Xi-hui Cheng; Da-jun Ding, Yong-gang Yu Ming-xing Jin
      First page: 649
      Abstract: The properties of C—H vibration softening for CH 2 and CH 3 radicals absorbed on Cu n ( n =1–6) clusters have been investigated, using the density functional theory with hybrid functional. The results indicate that the absorption of CH 2 on Cu clusters is stronger than the case of CH 3 . The vibrational frequencies of C—H bonding agree with the experimental results obtained for CH 2 and CH 3 absorbed on Cu(111). With the increase of cluster size, the softening (Einstein shift) of C—H vibrational modes become stronger.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Hydrogen-bonded Intramolecular Charge Transfer Excited State of
           Dimethylaminobenzophenone using Time Dependent Density Functional
    • Authors: Yu-ling Chu; Zhong Yang, Zhe-feng Pan, Jing Liu, Yue-yi Han, Yong Ding Peng Song
      First page: 654
      Abstract: Density functional theory and time-dependent density-functional theory have been used to investigate the photophysical properties and relaxation dynamics of dimethylaminobenzophenone (DMABP) and its hydrogen-bonded DMABP-MeOH dimer. It is found that, in non-polar aprotic solvent, the transitions from S 0 to S 1 and S 2 states of DMABP have both n→π * and π→π * characters, with the locally excited feature mainly located on the C=O group and the partial CT one characterized by electron transfer mainly from the dimethylaminophenyl group to the C=O group. But when the intermolecular hydrogen bond C=O···H—O is formed, the highly polar intramolecular charge transfer character switches over to the first excited state of DMABP-MeOH dimer and the energy difference between the two low-lying electronically excited states increases. To gain insight into the relaxation dynamics of DMABP and DMABP-MeOH dimer in the excited state, the potential...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • First Principles Study of Al-Li Intermetallic Compounds
    • Authors: Hai-li Yu; Xiao-hui Duan, Yong-jun Ma Min Zeng
      First page: 659
      Abstract: The structural properties, heats of formation, elastic properties, and electronic structures of four compositions of binary Al-Li intermetallics, Al 3 Li, AlLi, Al 2 Li 3 , and Al 4 Li 9 , are analyzed in detail by using density functional theory. The calculated formation heats indicate a strong chemical interaction between Al and Li for all the Al-Li intermetallics. In particular, in the Li-rich Al-Li compounds, the thermodynamic stability of intermetallics linearly decreases with increasing concentration of Li. According to the computational single crystal elastic constants, all the four Al-Li intermetallic compounds considered here are mechanically stable. The polycrystalline elastic modulus and Poisson's ratio have been deduced by using Voigt, Reuss, and Hill approximations, and the calculated ratios of bulk modulus to shear modulus indicate that the four compositions of binary Al-Li intermetallics are brittle materials. With the ...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Protonation Effect on One- and Two-photon Absorption Property of a Newly
           Synthesized Octupolar Chromophore
    • Authors: Hong-juan Ding; Jie Sun Chuan-kui Wang
      First page: 666
      Abstract: The protonation effects on one- and two-photon absorption properties of an octupolar molecule TA with 1,3,5-triazine core and pyrrole electron-donating end-groups have been studied at hybrid density functional theory level. A computational scheme is developed to simulate a proton attached to an atom. The numerical results show that large changes in both one- and two-photon absorption properties are observed when the compound is transformed from neutral to threefold protonated states. When the compound is protonated, more charge transfer states appear and the absorption band has a red-shift. Furthermore, the two-photon absorption cross-section is largely enhanced. The theoretical calculations demonstrate the protonation effect on promoting the intramolecular charge transfer strength. The results present qualitative agreement with the experimental observations. A two-photon absorption switch with the compound TA based on the protonation effect is proposed.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • First Principles Study on Encapsulation of Alkali Metals into ZnO Nanocage
    • Authors: Mohammad T. Baei; Ali Ahmadi Peyghan Zargham Bagheri
      First page: 671
      Abstract: Encapsulation of alkali metals (Li, Na, K, and Rb) into Zn 12 O 12 nanocage has been investigated using density functional theory. Encapsulation of Li and Na atoms is found to be thermodynamically favorable at 298 K and 100 kPa, with negative Gibbs free energy change Δ G of about −130.12 and −68.43 kJ/mol, respectively. By increasing the size of encapsulated atom the process become less favorable so that in the cases of K and Rb encapsulations the Δ G values are positive. The results indicate that the LUMO, Fermi level, and specially HOMO of the cluster are shifted to higher energies so that the HOMO-LUMO gap of the cluster is significantly narrowed in all the cases. After encapsulation of the alkali metals the work function of cluster is decreased due to the shift of the Fermi level to higher energies. Therefore, the emitted electron current density from the Zn 12 O 12 cluster will be increased.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Theoretical Studies on Dehydrogenation Reactions in Mg 2 (BH 4 ) 2 (NH 2 )
           2 Compounds
    • Authors: Zheng Chen; Zhe-ning Chen, An-an Wu, Guo-tao Wu, Zhi-tao Xiong, Ping Chen Xin Xu
      First page: 676
      Abstract: Borohydrides have been recently hightlighted as prospective new materials due to their high gravimetric capacities for hydrogen storage. It is, therefore, important to understand the underlying dehydrogenation mechanisms for further development of these materials. We present a systematic theoretical investigation on the dehydrogenation mechanisms of the Mg 2 (BH 4 ) 2 (NH 2 ) 2 compounds. We found that dehydrogenation takes place most likely via the intermolecular process, which is favorable both kinetically and thermodynamically in comparison with that of the intramolecular process. The dehydrogenation of Mg 2 (BH 4 ) 2 (NH 2 ) 2 initially takes place via the direct combination of the hydridic H in BH 4 − and the protic H in NH 2 − , followed by the formation of Mg—H and subsequent ionic recombination of Mg—H δ− ··· H δ+ −N.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Local Structures and Chemical Properties of Deprotonated Arginine
    • Authors: Hong-bao Li; Zi-jing Lin Yi Luo
      First page: 681
      Abstract: The potential energy surface of gaseous deprotonated arginine has been systematically investigated by first principles calculations. At the B3LYP/6-31G(d) level, apart from the identification of several stable local structures, a new global minimum is located which is about 6.56 kJ/mol more stable than what has been reported. The deprotonated arginine molecule has two distinct forms with the deprotonation at the carboxylate group (COO − ). These two forms are bridged by a very high energy barrier and possess very different IR spectral profiles. Our calculated proton dissociation energy and gas-phase acidity of arginine molecule are found to be in good agreement with the corresponding experimental results. The predicted geometries, dipole moments, rotational constants, vertical ionization energies and IR spectra of low energy conformers will be useful for future experimental measurements.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Feature Designed Growth of 3D Flower-like SiO 2 Growing on
           Polyethyleneimine Modified CaCO 3 Microparticles
    • Authors: Xin-mei Zheng; Yan-xing Qi Gong-xuan Lu
      First page: 687
      Abstract: We report on the ability to create complex 3D flower-like SiO 2 in vitro via CaCO 3 microparicles supported by polyethyleneimine mediated biosilicification under experimentally altered chemical influences. The morphology, structure, composition of the product have been investigated with the X-ray photoelectron spectrum, scanning electron microscope, transmission electron microscope, and energy-dispersive spectroscopy. The overall morphologies could be controlled to shift from a characteristic network of flower-like silica sphere to a sheet-like structure by adjusting physical adsorption of different amount of polyethyleneimine onto the surface of the CaCO 3 microparticles.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Interaction of Egg-Sphingomyelin with DOPC in Langmuir Monolayers
    • Authors: Chang-chun Hao; Run-guang Sun Jing Zhang
      First page: 691
      Abstract: Lipid rafts are a dynamic microdomain structure found in recent years, enriched in sphingolipids, cholesterol and particular proteins. The change of structure and function of lipid rafts could result in many diseases. In this work, the monolayer miscibility behavior of mixed systems of Egg-Sphingomyelin (ESM) 1 with 2-dioleoyl-sn-glycero-3-phosphocholine was investigated in terms of mean surface area per molecule and excess molecular area Δ A ex at certain surface pressure, surface pressure and excess surface pressure Δπ ex at certain mean molecular area. The stability and compressibility of the mixed monolayers was assessed by the parameters of surface excess Gibbs free energy Δ G ex , excess Helmholtz energy Δ H ex and elasticity. Thermodynamic analysis indicates Δ A ex and Δπ ex in the binary systems with positive deviations from the ideal behavior, sug...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Red Emission of Eu(III) Complex Based on 1-(7-(
           tert -butyl)-9-ethyl-9H-carbazol-2-yl)-4,4,4-trifluorobutane-1,3-dione
           Excited by Blue Light
    • Authors: Sheng-gui Liu; Wen-yi Su, Rong-kai Pan Xiao-ping Zhou
      First page: 697
      Abstract: A new Eu(III) complex, EuL 3 (phen), was synthesized, where L is the abbreviation of deprotonated 1-(7-( tert -butyl)-9-ethyl-9H-carbazol-2-yl)-4,4,4-trifluorobutane-1,3-dione(HL), phen is the abbreviation of 1,10-phenanthroline. The Eu(III) complex was characterized by element analysis, IR, 1 H NMR, UV-visible absorption spectroscopy, thermogravimetric analysis (TGA), and photoluminescence measurements (PL). TGA shows that thermal stability of the complex is up to 325 °C. PL measurement indicates that the Eu(III) complex exhibits intense red-emission and extends their excitation bands to visible region. LEDs device was successfully fabricated by precoating complex EuL 3 (phen) onto 460 nm blue-emitting InGaN chip. The emission of device shows that the complex can act as red phosphor in combination with 460 nm blue-emitting chips. This europium complex based on 1-(7-( tert -butyl)-9-ethyl-9H-carbazol-2-yl)-4,4,4-trifluorobutane-1,3-dione is ...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Electrical Properties of NASICON-type Structured Li 1.3 Al 0.3 Ti 1.7 (PO
           4 ) 3 Solid Electrolyte Prepared by 1,2-Propylene glycol-assisted
           Sol-gel Method
    • Authors: Lin-chao Zhang; Peng Chen, Zhang Hu Chun-hua Chen
      First page: 703
      Abstract: Lithium-ion conductor Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 with an ultrapure NASICON-type phase is synthesized by a 1,2-propylene glycol (1,2-PG)-assisted sol-gel method and characterized by differential thermal analysis-thermo gravimetric analysis, X-ray diffraction, scanning electron microscopy, electrochemical impedance spectroscopy, and chronoamperometry test. Due to the use of 1,2-PG, a homogeneous and light yellow transparent precursor solution is obtained without the precipitation of Ti 4+ and Al 3+ with PO 4 3− . Well crystallized Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 can be prepared at much lower temperatures from 850 °C to 950 °C within a shorter synthesis time compared with that prepared at a temperature above 1000 °C by a conventional solid-state reaction method. The lithium ionic conductivity of the sintered pellets is up to 0.3 mS/cm at 50 °C with a...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Melamine/Stearic Acid Composite Nanowires and Vesicles with an
           Intercalated Nanostructure Prepared through NCCM Method
    • Authors: Juan Guo; Dao-yong Chen
      First page: 708
      Abstract: A solvent-non-solvent method invented in our laboratory for preparing non-covalently connected micelles (NCCM) was used to intercalate melamine (MA) molecules into stearic acid (SA) bilayers to form the composite nanoparticles with an intercalated nanostructure in which a melamine bilayer is sandwiched between two stearic acid bilayers, NCCM method helps to sufficiently mix the two components in nanospace and meanwhile inhibits the strong tendency of self-crystallization of MA, leading to the intercalation. Although the nanoparticles have a regular inner structure, the primary MA/SA nanoparticles have an irregular morphology. Regular nanoparticles were obtained through annealing the suspension of the primary nanoparticles. Through annealing at different temperatures, the MA/SA composite nanowires and vesicles with an intercalated structure were prepared respectively. It is proposed that the morphological change results from the change in the intercalated structure.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Growth and Electronic Properties of Ag Nanoparticles on Reduced CeO
           2− x (111) Films
    • Authors: Dan-dan Kong; Yong-he Pan, Guo-dong Wang, Hai-bin Pan Jun-fa Zhu
      First page: 713
      Abstract: Ag nanoparticles grown on reduced CeO 2− x thin films have been studied by X-ray photoelectron spectroscopy and resonant photoelectron spectroscopy of the valence band to understand the effect of oxygen vacancies in the CeO 2− x thin films on the growth and interfacial electronic properties of Ag. Ag grows as three-dimensional particles on the CeO 2− x (111) surface at 300 K. Compared to the fully oxidized ceria substrate surface, Ag favors the growth of smaller particles with a larger particle density on the reduced ceria substrate surface, which can be attributed to the nucleation of Ag on oxygen vacancies. The binding energy of Ag3d increases when the Ag particle size decreases, which is mainly attributed to the final-state screening. The interfacial interaction between Ag and CeO 2− x (111) is weak. The resonant enhancement of the 4f level of Ce 3+ species in RPES indicates a partial Ce 4+ →Ce
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Synthesis and Optical Properties of ZnO Nanoparticles in Submicron PS
           Hollow Reactors
    • Authors: Xue-feng Huang; Fei-fei Ju, Mo-zhen Wang Xue-wu Ge
      First page: 719
      Abstract: ZnO nanoparticles were first encapsulated in submicron PS hollow microspheres through two-step swelling process of core-shell structured PMMA/PS (PMMA: polymethyl methaorylate) microspheres in acid-alkali solution, and the ZnO precursors, i.e . the ethanol solutions of (CH 3 COO) 2 Zn and LiOH. The transmission electron microscope, X-ray diffraction, and thermogravimetric analysis results show that the feeding order of ethanol solutions of (CH 3 COO) 2 Zn and LiOH in the second swelling step has great influence on the loading efficiency and the size of ZnO nanoparticles, but little on their crystal form. The photoluminescence and UV-Vis absorption behavior of ZnO/PS microspheres show that the PS shell can effectively avoid the fluorescence quenching effect.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • New Li-ion Battery Evaluation Research Based on Thermal Property and Heat
           Generation Behavior of Battery
    • Authors: Zhe Lv; Xun Guo Xin-ping Qiu
      First page: 725
      Abstract: We do a new Li-ion battery evaluation research on the effects of cell resistance and polarization on the energy loss in batteries based on thermal property and heat generation behavior of battery. Series of 18650 cells with different capacities and electrode materials are evaluated by measuring input and output energy which change with charge-discharge time and current. Based on the results of these tests, we build a model of energy loss in cells' charge-discharge process, which include Joule heat and polarization heat impact factors. It was reported that Joule heat was caused by cell resistance, which included DC-resistance and reaction resistance, and reaction resistance could not be easily obtained through routine test method. Using this new method, we can get the total resistance R and the polarization parameter η. The relationship between R , η, and temperature is also investigated in order to build a general model for series of different Li-ion batteries, and ...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Effect of Surface Protonation on Device Performance and Dye Stability of
           Dye-sensitized TiO 2 Solar Cell
    • Authors: Kun-jie Wu; Kai Shen, Yang Yu De-liang Wang
      First page: 733
      Abstract: A flat thin TiO 2 film was employed as the photo-electrode of a dye sensitized solar cell (DSSC), on which only a geometrical mono-layer of dye was attached. The effect of surface protonation by HCl chemical treatment on the performance of DSSCs was studied. The results showed that the short-circuit current J sc increased significantly upon the HCl treatment, while the open-circuit voltage V oc decreased slightly. Compared to the untreated DSSC, the J sc and energy conversion efficiency was increased by 31% and 25%, respectively, for the 1 mol/L HCl treated cell. TiO 2 surface protonation improved electronic coupling between the chemisorbed dye and the TiO 2 surface, resulting in an enhanced electron injection. The decreased open-circuit voltage after TiO 2 surface protonation was mainly due to the TiO 2 conduction band edge downshift and was partially caused by increased electro...
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
  • Optical Remote-sensing Monitoring and Forecasting of Atmospheric Pollution
           in Huaibei Area, China
    • Authors: Su-wen Li; Pin-hua Xie, En-hua Jiang, Yong Zhang Hai-feng Dai
      First page: 739
      Abstract: Huaibei is an energy city. Coal as the primary energy consumption brings a large number of regional pollution in Huaibei area. Differential optical absorption spectroscopy (DOAS) as optical remote sensing technology has been applied to monitor regional average concentrations and inventory of nitrogen dioxide, sulfur dioxide and ozone. DOAS system was set up and applied to monitor the main air pollutants in Huaibei area. Monitoring data were obtained from 7 to 28 August, 2011. Monitoring results show measurements in controlling pollution are effective, and emissions of pollutants are up to the national standard in Huaibei area. Prediction model was also created to track changing trend of pollutions. These will provide raw data support for effective evaluation of environmental quality in Huaibei area.
      Citation: Chinese Journal of Chemical Physics
      PubDate: 2013-01-17T00:00:00Z
      Issue No: Vol. 25, No. 6 (2013)
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