DICP OpenIR
First-principles calculation of core-level binding energy shift in surface chemical processes
Zeng ZhenHua; Ma XiuFang; Ding WuChen; Li WeiXue1; Li WX(李微雪)
关键词First Principles Core-level Binding Energy Shift Surface Chemical Processes
刊名SCIENCE CHINA-CHEMISTRY
2010-02-01
DOI10.1007/s11426-010-0086-z
53期:2页:402-410
收录类别SCI
文章类型Article
部门归属5
项目归属507
产权排名1;1
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
关键词[WOS]DENSITY-FUNCTIONAL THEORY ; AB-INITIO CALCULATIONS ; STATE ; RH ; ADSORPTION ; RH(111) ; PT(111) ; ETHANOL
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.
语种英语
原文出处查看原文
WOS记录号WOS:000276578900014
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/103275
专题中国科学院大连化学物理研究所
通讯作者Li WX(李微雪)
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Peoples R China
推荐引用方式
GB/T 7714
Zeng ZhenHua,Ma XiuFang,Ding WuChen,et al. First-principles calculation of core-level binding energy shift in surface chemical processes[J]. SCIENCE CHINA-CHEMISTRY,2010,53(2):402-410.
APA Zeng ZhenHua,Ma XiuFang,Ding WuChen,Li WeiXue,&李微雪.(2010).First-principles calculation of core-level binding energy shift in surface chemical processes.SCIENCE CHINA-CHEMISTRY,53(2),402-410.
MLA Zeng ZhenHua,et al."First-principles calculation of core-level binding energy shift in surface chemical processes".SCIENCE CHINA-CHEMISTRY 53.2(2010):402-410.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Zeng ZhenHua]的文章
[Ma XiuFang]的文章
[Ding WuChen]的文章
百度学术
百度学术中相似的文章
[Zeng ZhenHua]的文章
[Ma XiuFang]的文章
[Ding WuChen]的文章
必应学术
必应学术中相似的文章
[Zeng ZhenHua]的文章
[Ma XiuFang]的文章
[Ding WuChen]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

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。