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题名: Microporous ZSM-5 zeolite anchors the exceptionally active triplet oxygen species: Mechanistic studies
作者: Yang, Gang1, 2;  Guan, Jing1;  Zhou, Lijun2;  Liu, Xianchun1;  Han, Xiuwen1;  Bao, Xinhe1
通讯作者: 杨刚
关键词: catalysis ;  density functional ;  selective oxidation ;  triplet oxygen species ;  zeolite
刊名: MICROPOROUS AND MESOPOROUS MATERIALS
发表日期: 2008-08-01
DOI: 10.1016/j.micromeso.2007.12.002
卷: 113, 期:1-3, 页:583-587
收录类别: SCI
文章类型: Article
部门归属: 5
项目归属: 502
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Applied ;  Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science
英文摘要: Through density functional calculations, it was found that the Bronsted acidic sites in microporous zeolites (e.g., ZSM-5) can stabilize and anchor the active triplet oxygen species [i.e., O(P-3)], thus providing an ideal locale for the related catalytic processes. An exemplified catalytic cycle was proposed here. The 419.3 nm photolysis of singlet N2O leads to the formation of triplet N2O, which releases the O(P-3) species almost without energy barrier. The O(P-3) species produced this way efficiently oxidizes CO into triplet CO2, with the activation barrier computed to be 0.13 kcal mol(-1) (zero point energy corrected). (C) 2007 Elsevier Inc. All rights reserved.
关键词[WOS]: DENSITY-FUNCTIONAL THEORY ;  N2O DECOMPOSITION ;  PARTIAL OXIDATION ;  FE/ZSM-5 ZEOLITE ;  SURFACE OXYGEN ;  BENZENE ;  CATALYSTS ;  SITES ;  IRON ;  DFT
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000257362100067
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/102961
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.NE Forestry Univ, Minist Educ, Key Lab Forest Plant Ecol, Harbin 150040, Peoples R China

Recommended Citation:
Yang, Gang,Guan, Jing,Zhou, Lijun,et al. Microporous ZSM-5 zeolite anchors the exceptionally active triplet oxygen species: Mechanistic studies[J]. MICROPOROUS AND MESOPOROUS MATERIALS,2008,113(1-3):583-587.
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