中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
DFT study of the adsorption properties of single Pt, Pd, Ag, In and Sn on the gamma-Al2O3 (110) surface

文献类型:期刊论文

作者Gao, HW (Gao, Hongwei)
刊名CHEMICAL PHYSICS LETTERS
出版日期2016
卷号657期号:7页码:11-17
关键词DFT Catalyst Pt/gamma-Al2O3 Adsorption properties (110) surface
英文摘要GGA/PW91 exchange-correlation functional within periodic density functional theory (DFT) has been used to investigate the adsorption properties of different metal atoms (Pt, Pd, Ag, Sn and In) on the O-terminated and Al-terminated gamma-Al2O3 (110) surface. The predicted adsorption energies follow the order Sn > In > Ag > Pd > Pt. It is found that O-bridge position is the most favorable site for single Pt, Pd, Ag, Sn and In adsorption on the O-terminated gamma-Al2O3 (110) surface. It is found that the most favorable site on the Al- terminated gamma-Al2O3 (110) surface is O-top position.
收录类别SCI
WOS记录号WOS:000383444700003
源URL[http://ir.xjipc.cas.cn/handle/365002/4650]  
专题新疆理化技术研究所_省部共建新疆特有药用资源利用重点实验室
作者单位Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Plant Resources & Chem Arid Reg, Urumqi 830011, Peoples R China
推荐引用方式
GB/T 7714
Gao, HW . DFT study of the adsorption properties of single Pt, Pd, Ag, In and Sn on the gamma-Al2O3 (110) surface[J]. CHEMICAL PHYSICS LETTERS,2016,657(7):11-17.
APA Gao, HW .(2016).DFT study of the adsorption properties of single Pt, Pd, Ag, In and Sn on the gamma-Al2O3 (110) surface.CHEMICAL PHYSICS LETTERS,657(7),11-17.
MLA Gao, HW ."DFT study of the adsorption properties of single Pt, Pd, Ag, In and Sn on the gamma-Al2O3 (110) surface".CHEMICAL PHYSICS LETTERS 657.7(2016):11-17.

入库方式: OAI收割

来源:新疆理化技术研究所

浏览0
下载0
收藏0
其他版本

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。