Theoretical analysis of CO plus NO reaction mechanism on the single Pd atom embedded in gamma-Al2O3 (110) surface
Gao, HW (Gao, Hongwei); Gao, HW
2017
发表期刊Applied Catalysis A: General
卷号529期号:1页码:156-166
摘要The reaction mechanism of CO + NO on Pd/gamma-Al2O3 (110) has been studied using periodic density functional theory (DFT) calculations in detail. Three pathways to form CO2, N2O and N-2 were investigated by the kinetics and the electronic structure of catalyst. The calculated results indicate that the oxygen vacancy O-v plays an important role during the catalytic process, and Pd-O-v, pair embedded in gamma-Al2O3 is proposed to be an active site: The projected density of states (PDOS) analysis indicates that the formation of the oxygen vacancy O-v and the electron transfer between the surface Pd atom and CO or NO molecule are responsible for the catalytic activity of Pd/gamma-Al2O3 (110). (C) 2016 Elsevier B.V. All rights reserved.
关键词Co Plus No Pd Nanoparticles Gamma-al2o3 Dft Reaction Mechanism
DOI10.1016/j.apcata.2016.11.007
收录类别SCI
WOS记录号WOS:000390084200017
引用统计
被引频次:5[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4722
专题省部共建新疆特有药用资源利用重点实验室
通讯作者Gao, HW
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 ,Gao, HW. Theoretical analysis of CO plus NO reaction mechanism on the single Pd atom embedded in gamma-Al2O3 (110) surface[J]. Applied Catalysis A: General,2017,529(1):156-166.
APA Gao, HW ,&Gao, HW.(2017).Theoretical analysis of CO plus NO reaction mechanism on the single Pd atom embedded in gamma-Al2O3 (110) surface.Applied Catalysis A: General,529(1),156-166.
MLA Gao, HW ,et al."Theoretical analysis of CO plus NO reaction mechanism on the single Pd atom embedded in gamma-Al2O3 (110) surface".Applied Catalysis A: General 529.1(2017):156-166.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
Theoretical analysis(6586KB)期刊论文作者接受稿开放获取CC BY-NC-SA浏览 请求全文
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
[Gao, HW (Gao, Hongwei)]的文章
[Gao, HW]的文章
百度学术
百度学术中相似的文章
[Gao, HW (Gao, Hongwei)]的文章
[Gao, HW]的文章
必应学术
必应学术中相似的文章
[Gao, HW (Gao, Hongwei)]的文章
[Gao, HW]的文章
相关权益政策
暂无数据
收藏/分享
文件名: Theoretical analysis of CO plus NO reaction mechanism on the single Pd atom embedded in gamma-Al2O3 (110) surface.pdf
格式: Adobe PDF
此文件暂不支持浏览
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。