Ethane Activation by Nb-Doped NiO

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	Ethane Activation by Nb-Doped NiO
	X. Y. Sun; B. Li; H. Metiu
	2013
发表期刊	Journal of Physical Chemistry C
ISSN	1932-7447
卷号	117 期号:45 页码:23597-23608
摘要	We use density functional theory to examine the dissociative adsorption of ethane on the surface of Nb-doped NiO. We find that the Nb dopant that substitutes a Ni atom in the surface layer of NiO adsorbs O-2 from gas phase and binds it so strongly that the two oxygen atoms are no longer good oxidants. It is more reasonable to consider that the dopant is the NbO2 group. We show that this group acts in many ways like a lower-valence dopant and activates the surface oxygen atoms near it.
部门归属	[metiu, horia] univ calif santa barbara, dept chem & biochem, santa barbara, ca 93106 usa. [sun, xiaoying ; li, bo] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; metiu, h (reprint author), univ calif santa barbara, dept chem & biochem, santa barbara, ca 93106 usa. ; metiu@chem.ucsb.edu
关键词	Catalytic Oxidative Dehydrogenation Molybdenum Oxide Catalysts Transition-metal Surfaces Millisecond Contact Times Gallium-loaded Catalysts Oxygen-vacancy Formation Vacuum-cleaved Nio(100) Evans-polanyi Relation Rare-earth-oxides o Mixed Oxides
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71485
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. Y. Sun,B. Li,H. Metiu. Ethane Activation by Nb-Doped NiO[J]. Journal of Physical Chemistry C,2013,117(45):23597-23608.
APA	X. Y. Sun,B. Li,&H. Metiu.(2013).Ethane Activation by Nb-Doped NiO.Journal of Physical Chemistry C,117(45),23597-23608.
MLA	X. Y. Sun,et al."Ethane Activation by Nb-Doped NiO".Journal of Physical Chemistry C 117.45(2013):23597-23608.