firstprinciplescalculationofcorelevelbindingenergyshiftinsurfacechemicalprocesses
文献类型：期刊论文
| 作者 | Zeng Zhenhua; Ma Xiufang; Ding Wuchen; Li Weixue |
| 刊名 | sciencechinachemistry
 |
| 出版日期 | 2010-01-01 |
| 卷号 | 53期号:2页码:402 |
| ISSN号 | 1674-7291 |
| 英文摘要 | Combined with third generation synchrotron radiation light sources, X-ray photoelectron spectroscopy (XPS) with higher energy resolution, brilliance, enhanced surface sensitivity and photoemission cross section in real time found extensive applications in solid-gas interface chemistry. This paper reports the calculation of the core-level binding energy shifts (CLS) using the first-principles density functional theory. The interplay between the CLS calculations and XPS measurements to uncover the structures, adsorption sites and chemical reactions in complex surface chemical processes are highlight. Its application on clean low index (111) and vicinal transition metal surfaces, molecular adsorption in terms of sites and configuration, and reaction kinetics are domonstrated. |
| 资助项目 | [National Natural Science Foundation of China] ; [National Basic Research Program of China] |
| 语种 | 英语 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/175143]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 中国科学院大连化学物理研究所 |
| 推荐引用方式 GB/T 7714 | Zeng Zhenhua,Ma Xiufang,Ding Wuchen,et al. firstprinciplescalculationofcorelevelbindingenergyshiftinsurfacechemicalprocesses[J]. sciencechinachemistry,2010,53(2):402. |
| APA | Zeng Zhenhua,Ma Xiufang,Ding Wuchen,&Li Weixue.(2010).firstprinciplescalculationofcorelevelbindingenergyshiftinsurfacechemicalprocesses.sciencechinachemistry,53(2),402. |
| MLA | Zeng Zhenhua,et al."firstprinciplescalculationofcorelevelbindingenergyshiftinsurfacechemicalprocesses".sciencechinachemistry 53.2(2010):402. |
入库方式： OAI收割
来源：大连化学物理研究所
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