High reactivity of nanosized niobium oxide cluster cations in methane activation: A comparison with vanadium oxides
文献类型：期刊论文
| 作者 | Ding, Xun-Lei1; Wang, Dan1; Wu, Xiao-Nan2; Li, Zi-Yu2; Zhao, Yan-Xia2; He, Sheng-Gui2 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2015-09-28 |
| 卷号 | 143期号:12 |
| 英文摘要 | The reactions between methane and niobium oxide cluster cations were studied and compared to those employing vanadium oxides. Hydrogen atom abstraction (HAA) reactions were identified over stoichiometric (Nb2O5)(N)(+) clusters for N as large as 14 with a time-of-flight mass spectrometer. The reactivity of (Nb2O5)(N)(+) clusters decreases as the N increases, and it is higher than that of (V2O5)(N)(+) for N >= 4. Theoretical studies were conducted on (Nb2O5)(N)(+) (N = 2-6) by density functional calculations. HAA reactions on these clusters are all favorable thermodynamically and kinetically. The difference of the reactivity with respect to the cluster size and metal type (Nb vs V) was attributed to thermodynamics, kinetics, the electron capture ability, and the distribution of the unpaired spin density. Nanosized Nb oxide clusters show higher HAA reactivity than V oxides, indicating that niobia may serve as promising catalysts for practical methane conversion. (C) 2015 AIP Publishing LLC. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/28888]  |
| 专题 | 化学研究所_分子纳米结构与纳米技术实验室 |
| 作者单位 | 1.North China Elect Power Univ, Dept Math & Phys, Beijing 102206, Peoples R China 2.Chinese Acad Sci, Beijing Natl Lab Mol 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 | Ding, Xun-Lei,Wang, Dan,Wu, Xiao-Nan,et al. High reactivity of nanosized niobium oxide cluster cations in methane activation: A comparison with vanadium oxides[J]. JOURNAL OF CHEMICAL PHYSICS,2015,143(12). |
| APA | Ding, Xun-Lei,Wang, Dan,Wu, Xiao-Nan,Li, Zi-Yu,Zhao, Yan-Xia,&He, Sheng-Gui.(2015).High reactivity of nanosized niobium oxide cluster cations in methane activation: A comparison with vanadium oxides.JOURNAL OF CHEMICAL PHYSICS,143(12). |
| MLA | Ding, Xun-Lei,et al."High reactivity of nanosized niobium oxide cluster cations in methane activation: A comparison with vanadium oxides".JOURNAL OF CHEMICAL PHYSICS 143.12(2015). |
入库方式： OAI收割
来源：化学研究所
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