Methane Activation Mediated by a Series of Cerium-Vanadium Bimetallic Oxide Cluster Cations: Tuning Reactivity by Doping

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	Methane Activation Mediated by a Series of Cerium-Vanadium Bimetallic Oxide Cluster Cations: Tuning Reactivity by Doping
	Ma, Jia-Bi 1; Meng, Jing-Heng 2; He, Sheng-Gui 2
刊名	CHEMPHYSCHEM
	2016-04-18
卷号	17 期号:8 页码:1112-1118
关键词	cluster compounds density functional calculations mass spectrometry methane radical ions
英文摘要	The reactions of cerium-vanadium cluster cations CexVyOz + with CH4 are investigated by time-of-flight mass spectrometry and density functional theory calculations. (CeO2)(m)(V2O5)(n)+ clusters (m = 1,2, n = 1-5; m = 3, n = 1-4) with dimensions up to nanosize can abstract one hydrogen atom from CH4. The theoretical study indicates that there are two types of active species in (CeO2)(m)(V2O5)(n) +, V[(O-t)(2)](center dot) and [(O-b)(2)CeOt](center dot) (O-t and O-b represent terminal and bridging oxygen atoms, respectively); the former is less reactive than the latter. The experimentally observed size-dependent reactivities can be rationalized by considering the different active species and mechanisms. Interestingly, the reactivity of the (CeO2)(m)(V2O5)(n) + clusters falls between those of (CeO2)(2-4) + and (V2O5)(1-5) + in terms of C-H bond activation, thus the nature of the active species and the cluster reactivity can be effectively tuned by doping.
收录类别	SCI
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/36079]
专题	化学研究所_分子动态与稳态结构实验室
作者单位	1.Beijing Inst Technol, Inst Chem Phys, Sch Chem, Key Lab Cluster Sci, Beijing 100081, Peoples R China 2.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Ma, Jia-Bi,Meng, Jing-Heng,He, Sheng-Gui. Methane Activation Mediated by a Series of Cerium-Vanadium Bimetallic Oxide Cluster Cations: Tuning Reactivity by Doping[J]. CHEMPHYSCHEM,2016,17(8):1112-1118.
APA	Ma, Jia-Bi,Meng, Jing-Heng,&He, Sheng-Gui.(2016).Methane Activation Mediated by a Series of Cerium-Vanadium Bimetallic Oxide Cluster Cations: Tuning Reactivity by Doping.CHEMPHYSCHEM,17(8),1112-1118.
MLA	Ma, Jia-Bi,et al."Methane Activation Mediated by a Series of Cerium-Vanadium Bimetallic Oxide Cluster Cations: Tuning Reactivity by Doping".CHEMPHYSCHEM 17.8(2016):1112-1118.