Density functional theory study of surface catalysis and adsorption on several elements in Group I-B and VIII

doi:10.1007/s11467-009-0038-2

Frontiers of Physics

2009, Vol. 4

Issue (3): 337-355 https://doi.org/10.1007/s11467-009-0038-2

本期目录

Density functional theory study of surface catalysis and adsorption on several elements in Group I-B and VIII

Wang GAO (高旺), Qing JIANG (蒋青,

)

Key Laboratory of Automobile Materials (Ministry of Education), and Department of Materials Science and Engineering, Jilin University, Changchun 130022, China

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Abstract：

This review deals with the high-throughput field in surface catalysis and adsorption. Special focus is placed on advanced methods for knowledge discovery such as density functional theory (DFT) simulations. An inventory of successful cases on several elements in Group I-B and VIII is reported, including the relevant data and knowledge management, which are very important in chemical industry, fuel cell, and environment protection, for both scientific and economical reasons.

Key words： density functional theory ethylene epoxidation benzene dehydrogenation acetylene methanol carbon monoxide

收稿日期: 2009-01-07 出版日期: 2009-09-05

Corresponding Author(s): null,Email:jiangq@jlu.edu.cn

引用本文:

. Density functional theory study of surface catalysis and adsorption on several elements in Group I-B and VIII[J]. Frontiers of Physics, 2009, 4(3): 337-355.
Wang GAO (高旺), Qing JIANG (蒋青). Density functional theory study of surface catalysis and adsorption on several elements in Group I-B and VIII. Front. Phys. , 2009, 4(3): 337-355.

链接本文:

https://academic.hep.com.cn/fop/CN/10.1007/s11467-009-0038-2
https://academic.hep.com.cn/fop/CN/Y2009/V4/I3/337

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