焦海军 - 中国科学院山西煤炭化学研究所 -

研究领域

从事物理有机和无机化学、材料科学、反应机理、均相和多相催化过程中量子化学计算等方面的理论研究工作。

近期论文

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Coverage Dependent CO Adsorption and Activation Mechanisms on Iron Surfaces from DFT Computations. Wang, T.; Tian, X.-X.; Li, Y.-W.; Wang, J.; Beller, M.; Jiao, H. ACS Catal. 2014, 4, 1991-2005. Stable Surface Terminations of Orthorhombic Mo2C Catalysts and Their CO Activation Mechanisms. Wang, T.; Luo, Q.; Li, Y.-W.; Wang, J.; Beller, M.; Jiao, H. Appl. Catal. A 2014, 478C, 147-156. Dissociative hydrogen adsorption on the hexagonal Mo2C surfaces at high coverage. Wang, T.; Li, Y.-W.; Wang, J.; Beller, M.; Jiao, H. J. Phys. Chem. C 2014, 118, 8079–8089. Hydrogen Adsorption Structures and Energetics on Iron Surfaces at High Coverage. Wang, T.; Wang, S.; Luo Q.; Li, Y.-W.; Wang, J.; Beller, M.; Jiao, H. J. Phys. Chem. C 2014, 118, 4181-4188. High Coverage CO Adsorption And Dissociation On The Orthorhombic Mo2C(100) Surface. Wang, T.; Li, Y.-W.; Wang, J.; Beller, M.; Jiao, H. J. Phys. Chem. C 2014, 118, 3162-3171. Adsorption and Energetics of H2O Molecules and O Atoms on the Fe5C2(111), (-411) and (001) Surfaces from DFT Computations. Gao, R.; Cao, D.-B.; Yang, Y.; Li, Y.-W.; Jiao, H. Appl. Catal. A 2014, 475, 186–194. High coverage CO activation mechanisms on Fe(100) from computations. Wang, T.; Tian, X.-X.; Li, Y.-W.; Wang, J.; Beller, M.; Jiao, H. J. Phys. Chem. C 2014, 118, 1095-1101 "