DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst

doi:10.1021/jp800177j

科研成果详情

题名	DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst
作者	Gao, Hongwei 1; Yan, Tingxia 2; Yu, Yunbo 3; He, Hong 3
发表日期	2008-05-01
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY C 影响因子和分区
语种	英语
原始文献类型	Article
关键词	Alumina Aluminum oxide Catalysts Fourier transform infrared spectroscopy Silver compounds Silver metallography Acetate species Ag/Al2O3 Experimental values Geometrical structure IR spectrum Situ diffuse reflectance infrared Fourier transform spectroscopy Theoretical calculations
其他关键词	SYN-VINYL ALCOHOL ; SILVER-ALUMINA CATALYSTS ; SELECTIVE REDUCTION ; INFRARED-SPECTRUM ; HIGHER HYDROCARBONS ; ZEOLITE CATALYSTS ; NITROGEN-OXIDES ; LEAN NOX ; PROPENE ; SPECTROSCOPY
摘要	The adsorption of acetate species (CH3COO-) on the Ag/Al2O3 catalyst has been studied using in situ diffuse reflectance infrared Fourier transform spectroscopy and Density functional theory (DFT). The geometrical structures and vibrational spectra were obtained at the PBE1PBE level of DFT and compared with the corresponding experimental values. Theoretical calculations show that the calculated IR spectra are in good agreement with the experimental spectroscopic results.
出版者	AMER CHEMICAL SOC
出版地	WASHINGTON
ISSN	1932-7447
EISSN	1932-7455
卷号	112 期号:17 页码:6933-6938
DOI	10.1021/jp800177j
页数	22
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS记录号	WOS:000255292400047
收录类别	SCIE ; EI ; SCOPUS
EI入藏号	20082911387561
EI主题词	Density functional theory
URL	查看原文
SCOPUSEID	2-s2.0-44349164638
通讯作者地址	[Gao, Hongwei]Coll Med, Inst Watershed Sci & Environm Ecol, Wenzhou 325035, Zhejiang, Peoples R China.
引用统计	被引频次：14[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	https://kms.wmu.edu.cn/handle/3ETUA0LF/7645
专题	附属第一医院_国有资产管理处
通讯作者	Gao, Hongwei
作者单位	1.Coll Med, Inst Watershed Sci & Environm Ecol, Wenzhou 325035, Zhejiang, Peoples R China; 2.Wenzhou Med Coll, State Property Adm Dept, Wenzhou 325035, Zhejiang, Peoples R China; 3.Chinese Acad Sci, Ecoenvironm Sci Res Ctr, Beijing 100085, Peoples R China
推荐引用方式 GB/T 7714	Gao, Hongwei,Yan, Tingxia,Yu, Yunbo,et al. DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2008,112(17):6933-6938.
APA	Gao, Hongwei, Yan, Tingxia, Yu, Yunbo, & He, Hong. (2008). DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst. JOURNAL OF PHYSICAL CHEMISTRY C, 112(17), 6933-6938.
MLA	Gao, Hongwei,et al."DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst".JOURNAL OF PHYSICAL CHEMISTRY C 112.17(2008):6933-6938.