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研究领域

研究方向一:催化反应动力学多尺度模拟的理论研究,包括: ² 基于第一性原理的催化反应热力学、静态动力学的理论计算; ² 基于统计方法的催化反应动态模拟; ² 催化反应本征与宏观动力学计算; ² 催化反应器的模拟与设计。 研究方向二:基于第一性原理的催化材料模拟与设计;包括: ² 基于第一性原理的铈基催化材料构效关系研究; ² 基于第一性原理与统计方法的金属铈基催化剂模拟与设计。 研究方向三:多相催化反应的实验研究,具体包括: ² 低温高效铈基催化剂材料的制备、评价及表征; ² 先进实验设计方法在催化剂研发中的应用; ² 催化反应动力学实验及计算。 从事F-T合成动力学的实验与理论研究

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Bo-Tao Teng*, Feng-Min Wu, Wei-Xin Huang*, Xiao-Dong Wen, Lei-Hong Zhao, Meng-Fei Luo, A density functional theory study of the structures of Aux clusters on a CeO2(111) surface, ChemPhysChem 2012, in press DOI: 10.1002/cphc.201101007. Jie-Li Quan, Bo-Tao Teng*, Xiao-Dong Wen, Yue Zhao, Rui Liu, Meng-Fei Luo, Hydrogen Fluoride Adsorption and Reaction on the α-Al2O3(0001) Surface, A Density Functional Theory Study, J. Chem. Phys. 2012, 136, 114701. Ping Li, Bo-Tao Teng, Fa-Gen Jin, Xin-Sheng Li, Wei-Dong Zhu, Jian-Wu Xie*, Synthesis of functionalized 2,3-dihydroisoxazoles by domino reactions in water and unexpected ring-opening reactions of 2,3-dihydroisoxazoles, Org. Biomol. Chem. 2012, 10, 244. Yun Zhao, Bo-Tao Teng*, Zong-Xian Yang*, Yue Zhao, Lei-Hong Zhao, Meng-Fei Luo, Density functional theory study of Sn adsorption on the CeO2 surface, J. Phys. Chem. C 2011, 115, 16461. Ling-Shun Xu, Yun-Sheng Ma, Yu-Lin Zhang, Bo-Tao Teng*, Zhi-Quan Jiang, Wei-Xin Huang*, Revisiting H/Pt(111) by a combined H-D exchange reaction and first-principle calculation study Science China Chemistry 2011, 54, 745. 郭晓伟, 滕波涛*, 袁金焕, 赵云, 赵越, 刘莎, O与O2在Au团簇上吸附的密度泛函理论研究, 物理化学学报 2011, 27, 1068. Bo-Tao Teng*, Wei-Xin Huang*, Feng-Min Wu, You-Zhao Lan, Dong-Bo Cao, A density functional theory study of the CH2I2 reaction on Ag(111): Thermodynamics, kinetics, and electronic structures, J. Chem. Phys. 2010, 132, 024715. Bo-Tao Teng*, Shi-Yu Jiang, Zong-Xian Yang, Meng-Fei Luo, You-Zhao Lan, A density functional theory study of formaldehyde adsorption and oxidation on CeO2(111) surface, Surf. Sci. 2010, 604, 68. 滕波涛*, 蒋仕宇, 赵雷洪, 罗孟飞, 铈基催化剂的密度泛函理论研究进展, 中国稀土学报 2010, 129. 滕波涛*, 蒋仕宇, 郭晓伟, 袁金焕, 罗孟飞, CeO2(110)表面上CO氧化反应的密度泛函理论研究, 化学学报 2009, 2765. 蒋仕宇, 滕波涛*, 袁金焕, 郭晓伟, 罗孟飞, CO在CeO2(111)表面的吸附与氧化, 物理化学学报 2009, 1629. Bo-Tao Teng*, Wei-Xin Huang, Feng-Min Wu, Xiao-Dong Wen, Shi-Yu Jiang, CH2I2 adsorption and dissociation on Ag(111) surface using density functional theory study, Chem. Phys. Lett. 2008, 461, 47. Juan-Mei Hu, Bo-Tao Teng, Feng-Min Wu*, Yun-Zhang Fang, Fe nanostructures stabilized by long-range interactions on Cu(111): kinetic Monte Carlo simulations, New J. Phys. 2008, 10, 023033. 蒋仕宇, 滕波涛*, 鲁继青, 刘雪松, 杨培芳, 杨飞勇, 罗孟飞, 甲醛在CeO2(111)表面吸附的密度泛函理论研究, 物理化学学报 2008, 2025. Bo-Tao Teng*, Jie Chang, Hai-Jun Wan, Ji-Qing Lu, Shao-Cheng Zheng, Ya Liu, Ying Liu, Xiao-Hui Guo, A Corrected Comprehensive Kinetic Model of Fischer-Tropsch Synthesis, Chin. J. Catal. 2007, 28, 687. Bo-Tao Teng, Jie Chang, Cheng-Hua Zhang, Dong-Bo Cao, Jun Yang, Ying Liu, Xiao-Hui Guo, Hong-Wei Xiang, Yong-Wang Li*, A comprehensive kinetics model of Fischer-Tropsch synthesis over an industrial Fe-Mn catalyst, Appl. Catal. A 2006, 301, 39. Bo-Tao Teng, Cheng-Hua Zhang, Jun Yang, Dong-Bo Cao, Jie Chang, Hong-Wei Xiang, Yong-Wang Li*, Oxygenate kinetics in Fischer-Tropsch synthesis over an industrial Fe-Mn catalyst, Fuel 2005, 84, 791. Bo-Tao Teng, Jie Chang, Jun Yang, Gang Wang, Cheng-Hua Zhang, Yuan-Yuan Xu, Hong-Wei Xiang, Yong-Wang Li*, Water gas shift reaction kinetics in Fischer-Tropsch synthesis over an industrial Fe-Mn catalyst, Fuel 2005, 84, 917. Cheng-Hua Zhang, Bo-Tao Teng, Yong Yang, Zhi-Chao Tao, Qing-Lan Hao, Hai-Jun Wan, Fan Yi, Bin-Fu Xu, Hong-Wei Xiang, Yong-Wang Li*, Effect of air-exposure on reduction behavior of a Fe-Mn-Cu-K/SiO2 Fischer-Tropsch synthesis catalyst, J. Mol. Catal. A 2005, 239, 15. Cheng-Hua Zhang, Yong Yang, Bo-Tao Teng, Ting-Zhen Li, Hong-Yan Zheng, Hong-Wei Xiang, Yong-Wang Li*, Study of an iron-manganese Fischer-Tropsch synthesis catalyst promoted with copper, J. Catal. 2006, 237, 405.

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