| 代表成果 (IF为2013年影响因子) 1. S. R. Li, X. Q. Lu,* W. Y. Guo, H. Y. Zhu, M. Li, L. M. Zhao, Y. Li, H. H. Shan. Formaldehyde oxidation on the Pt/TiO2(101) surface: A DFT investigation. J. Organomet. Chem., 2012, 704, 38-48. (IF=2.302) 2. X. Q. Lu, S. X. Wei, C.-M. L. Wu, N. Ding, S. R. Li, L. M. Zhao, W. Y. Guo. Theoretical insight into the spectral characteristics of Fe(II)-based complexes for dye-sensitized solar cells. Part I: Polypyridyl ancillary ligands. Int. J. Photoenergy, 2011, art. no. 316952. (IF=2.663) 3. W. Y. Guo, M. Li, X. Q. Lu,* H. Y. Zhu, Y. Li, S. R. Li, L. M. Zhao. Ethanol decomposition on a Pd(110) surface: a density functional theory investigation. Dalton Trans., 2013, 42, 2309-2318. (IF=4.097) 4. X. Q. Lu, S. X. Wei, C.-M. L. Wu, S. R. Li, W. Y. Guo. Can polypyridyl Cu(I)-based complexes provide promising sensitizers for dye-sensitized solar cells? A theoretical insight into Cu(I) versus Ru(II) sensitizers. J. Phys. Chem. C, 2011, 115, 3753-3761. (IF=4.835) 5. Y. Li, W. Y. Guo, H. Y. Zhu, L. M. Zhao, S. R. Li, D. L. Fu, X. Q. Lu, H. H. Shan. Initial hydrogenations of pyridine on MoP(001): A density functional study. Langmuir, 2012, 28, 3129-3137. (IF=4.384) 6. H. Y. Zhu, W. Y. Guo, M. Li, L. M. Zhao, S. R. Li, Y. Li, X. Q. Lu, H. H. Shan. Adsorption and desulfurization of thiophene and its hydrogenated derivatives on Pt(111): implication for the mechanism of hydrodesulfurization over noble metal catalysts. ACS Catal., 2011, 1, 1498-1510. (IF=7.572) 7. 李邵仁, 鲁效庆, 朱后禹, 郭文跃. MoP(001)表面苯胺C―N键断裂机理[J]. 物理化学学报, 2016,32(2): 465-473. LI Shao-Ren, LU Xiao-Qing, ZHU Hou-Yu, GUO Wen-Yue. C―N Bond Cleavage Mechanism of Aniline on MoP(001) Surface[J]. Acta Phys. -Chim. Sin., 2016,32(2): 465-473. doi: 10.3866/PKU.WHXB201511242 |