Peroxo and superoxo anions: A DFT study on Fe/ZSM-5 zeolite
文献类型：期刊论文
| 作者 | Yang, Gang; Zhou, Lijun; Liu, Xianchun; Han, Xiuwen; Bao, Xinhe |
| 刊名 | catalysis communications
 |
| 出版日期 | 2007-12-01 |
| 卷号 | 8期号:12页码:1981-1984 |
| 关键词 | active site density functional peroxide superoxide Fe/ZSM-5 zeolite |
| 产权排序 | 1;1 |
| 通讯作者 | 杨刚 ; 包信和 |
| 英文摘要 | metal peroxide species are the active sites in lots of solid-state and enzyme catalytic systems. with density functional calculations, the configurations of peroxide and superoxide anions in fe/zsm-5 zeolite were first resolved. the presence of superoxide anion was validated, which is less stabilized than the peroxide anion, especially at higher temperatures. it acts as the precursor to the active peroxide anion. raman frequencies of these two species were analyzed considering o-18/o-16 isotope effects. the present results are in fine agreement with previous theoretical and experimental results. (c) 2007 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | raman characterization ; magnesium-oxide ; nox reduction ; nitric-oxide ; active-sites ; fe ; decomposition ; oxygen ; activation ; adsorption |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000251208900024 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/99227]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalys, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Gang,Zhou, Lijun,Liu, Xianchun,et al. Peroxo and superoxo anions: A DFT study on Fe/ZSM-5 zeolite[J]. catalysis communications,2007,8(12):1981-1984. |
| APA | Yang, Gang,Zhou, Lijun,Liu, Xianchun,Han, Xiuwen,&Bao, Xinhe.(2007).Peroxo and superoxo anions: A DFT study on Fe/ZSM-5 zeolite.catalysis communications,8(12),1981-1984. |
| MLA | Yang, Gang,et al."Peroxo and superoxo anions: A DFT study on Fe/ZSM-5 zeolite".catalysis communications 8.12(2007):1981-1984. |
入库方式： OAI收割
来源：大连化学物理研究所
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