2008 CASTEP发表文章汇总

49. Robin K. Harris et al., Characterization of Polymorphs and Solvates of Terbutaline Sulfate, Cryst. Growth Des. 8 (2008)

80–90 ( abstract )

50. Xi Liu and Guo-Cong Guo, A Volcano-Group-like Halogeno(cyano)cuprate with Efficient Green Luminescence,

Cryst. Growth Des. 8 (2008) 776–778 ( abstract )

51. Yinyan Li, Guoli Zheng, Cuikun Lin, and Jun Lin, New Organic-Inorganic Perovskite Materials with Different Optical

Properties Modulated by Different Inorganic Sheets, Cryst. Growth Des. 8 (2008) 1990–1996 ( abstract )

52. Alejandro Fernandez-Martinez et al., Arsenate Incorporation in Gypsum Probed by Neutron, X-ray Scattering and Density

Functional Theory Modeling, J. Phys. Chem. A 112 (2008) 5159–5166 ( abstract )

53. T. Van Regemorter and K. Larsson, Effect of Coadsorbed Dopants on Diamond Initial Growth Processes: CH3 Adsorption,

J. Phys. Chem. A 112 (2008) 5429–5435 ( abstract )

54. P. E. Lippens, A. V. Chadwick, A. Weibel, R. Bouchet, and P. Knauth, Structure and Chemical Bonding in Zr-Doped

Anatase TiO2 Nanocrystals, J. Phys. Chem. C 112 (2008) 43–47 ( abstract )

55. Jyh Shing Lin and Wen-Chi Chou, DFT Study of Selective α-Fluoride Elimination of Adsorbed CF3(ads) on Both Ag(111)

and Cu(111) Surfaces, J. Phys. Chem. C 112 (2008) 768–773 ( abstract )

56. Anthony M. Reilly et al., The Phonon Spectrum of Phase-I Ammonia: Reassignment of Lattice Mode Symmetries from

Combined Molecular and Lattice Dynamics Calculations, J. Phys. Chem. C 112 (2008) 1322–13293 ( abstract )

57. Cuimiao Zhang et al., Enhanced Luminescence of BPO4 by Mixing with SiO2 and Al2O3, J. Phys. Chem. C 112 (2008)

2183–2192 ( abstract )

58. Shuxin Ouyang et al., Correlation of Crystal Structures, Electronic Structures, and Photocatalytic Properties in a Series of

Ag-based Oxides: AgAlO2, AgCrO2, and Ag2CrO4, J. Phys. Chem. C 112 (2008) 3134–3141 ( abstract )

59. Chun-Fang Huo, Yong-Wang Li, Jianguo Wang, and Haijun Jiao, Adsorption and Dissociation of CO as Well as CHx

Coupling and Hydrogenation on the Clean and Oxygen Pre-covered Co(0001) Surfaces,

J. Phys. Chem. C 112 (2008) 3840–3848 ( abstract )

60. Z. H. Guo et al., Dissociation of Water Molecules Induced by Charged-Defective Carbon Nanotubes,

J. Phys. Chem. C 112 (2008) 4618–4621 ( abstract )

61. Sahar Sharifzadeh, Patrick Huang, and Emily Carter, Embedded Configuration Interaction Description of CO on Cu(111):

Resolution of the Site Preference Conundrum, J. Phys. Chem. C 112 (2008) 4649–4657 ( abstract )

62.

63. Tao Yang et al., Carburization of the Fe3O4(111) Surface, J. Phys. Chem. C 112 (2008) 6372–6379 ( abstract ) Michael J. Gladys, Oliver R. Inderwildi, Sofia Karakatsani, Vittorio Fiorin, and Georg Held,

Synergetic Effects of the Cu/Pt{110} Surface Alloy: Enhanced Reactivity of Water and Carbon Monoxide,

J. Phys. Chem. C 112 (2008) 6422–6429 ( abstract )

64. A. V. Gavrilenko et al., Optical Absorption of Poly(thienylene vinylene)-Conjugated Polymers: Experiment and First

Principle Theory, J. Phys. Chem. C 112 (2008) 7908–7912 ( abstract )

65. Tanushree Bhattacharjee, Oliver R. Inderwildi, Stephen J. Jenkins, Uwe Riedel, and Jurgen Warnatz,

Oxidation of Hydrocarbons at Surface Defects: Unprecedented Confirmation of the Oxomethylidyne Pathway on a Stepped Rh Surface, J. Phys. Chem. C 112 (2008) 8751–8753 ( abstract )