DV-X alpha embedded cluster studies: Chemisorption of oxygen species on NiO(100) surface

dc.contributor.author	Lu, X
dc.contributor.author	吕鑫
dc.contributor.author	Xu, X
dc.contributor.author	徐昕
dc.contributor.author	Wang, NQ
dc.contributor.author	王南钦
dc.contributor.author	Zhang, QE
dc.contributor.author	张乾二
dc.date.accessioned	2012-10-04T02:18:31Z
dc.date.available	2012-10-04T02:18:31Z
dc.date.issued	1995
dc.identifier.citation	CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE，1995,16（11）：1757-1760	zh_CN
dc.identifier.issn	0251-0790
dc.identifier.uri	https://dspace.xmu.edu.cn/handle/2288/13677
dc.description.abstract	Chemisorptions of oxygen species on cation site of NiO(100) surface have been studied by means of DV-Xa embedded cluster model calculations, Calculational results show that: i) Adsorption of molecular O-2 species results in an adsorption state of O-2(delta-), which subsequently faciliates the dissociation oi the O-O bond to give rise to an O- adspecies ii) the adsorptions of all the investigated oxygen species increase the oxide state of the cations.	zh_CN
dc.language.iso	zh	zh_CN
dc.publisher	HIGHER EDUCATION PRESS	zh_CN
dc.subject	oxygen adspecies	zh_CN
dc.subject	NiO(100) surface	zh_CN
dc.subject	embedded cluster DV-X alpha	zh_CN
dc.subject	adsorption-induced oxidation of cation	zh_CN
dc.title	DV-X alpha embedded cluster studies: Chemisorption of oxygen species on NiO(100) surface	zh_CN
dc.type	Article	zh_CN