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
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