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题名: Toward Fundamentals of Confined Catalysis in Carbon Nanotubes
作者: Xiao, Jianping1;  Pan, Xiulian1;  Guo, Shujing1;  Ren, Pengju1;  Bao, Xinhe1
刊名: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
发表日期: 2015-01-14
DOI: 10.1021/ja511498s
卷: 137, 期:1, 页:477-482
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: An increasing number of experimental studies have demonstrated that metal or metal oxide nanoparticles confined inside carbon nanotubes (CNTs) exhibit different catalytic activities with respect to the same metals deposited on the CNT exterior walls, with some reactions enhanced and others hindered. In this article, we describe the concept of confinement energy, which enables prediction of confinement effects on catalytic activities in different reactions. Combining density functional theory calculations and experiments by taking typical transition metals such as Fe, FeCo, RhMn, and Ru as models, we observed stronger strains and deformations within the CNT channels due to different electronic structures and spatial confinement. This leads to downshifted d-band states, and consequently the adsorption of molecules such as CO, N-2, and O-2 is weakened. Thus, the confined space of CNTs provides essentially a unique microenvironment due to the electronic effects, which shifts the volcano curve of the catalytic activities toward the metals with higher binding energies. The extent of the shift depends on the specific metals and the CNT diameters. This concept generalizes the diverse effects observed in experiments for different reactions, and it is anticipated to be applicable to an even broader range of reactions other than redox of metal species, CO hydrogenation, ammonia synthesis and decomposition discussed here.
关键词[WOS]: METAL-ORGANIC FRAMEWORK ;  EVANS-POLANYI RELATION ;  HETEROGENEOUS CATALYSIS ;  RU NANOPARTICLES ;  VOLCANO CURVE ;  CO ;  ACTIVATION ;  IRON ;  DISSOCIATION ;  ELECTRODES
语种: 英语
WOS记录号: WOS:000348483500078
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145937
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

Recommended Citation:
Xiao, Jianping,Pan, Xiulian,Guo, Shujing,et al. Toward Fundamentals of Confined Catalysis in Carbon Nanotubes[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2015,137(1):477-482.
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