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学科主题: 物理化学
题名: Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC
作者: Liu, Jin-Xun1;  Su, Hai-Yan1;  Sun, Da-Peng1;  Zhang, Bing-Yan1;  Li, Wei-Xue1
通讯作者: 李微雪
刊名: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
发表日期: 2013-11-06
DOI: 10.1021/ja408521w
卷: 135, 期:44, 页:16284-16287
收录类别: SCI
合作性质: 
文章类型: Article
部门归属: 5
项目归属: 507
产权排名: 待补充
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
资助者: 1,1
研究领域[WOS]: Chemistry
英文摘要: Identifying the structure sensitivity of catalysts in reactions, such as Fischer-Tropsch synthesis from CO and H-2 over cobalt catalysts, is an important yet challenging issue in heterogeneous catalysis. Based on a first-principles kinetic study, we find for the first time that CO activation on hexagonal close-packed (HCP) Co not only has much higher intrinsic activity than that of face centered-cubic (FCC) Co but also prefers a different reaction route, i.e., direct dissociation with HCP Co but H-assisted dissociation on the FCC Co. The origin is identified from the formation of various denser yet favorable active sites on HCP Co not available for FCC Co, due to their distinct crystallographic structure and morphology. The great dependence of the activity on the crystallographic structure and morphology of the catalysts revealed here may open a new avenue for better, stable catalysts with maximum mass-specific reactivity.
关键词[WOS]: FISCHER-TROPSCH SYNTHESIS ;  DENSITY-FUNCTIONAL THEORY ;  PARTICLE-SIZE ;  STRUCTURE SENSITIVITY ;  PRODUCT DISTRIBUTION ;  DISSOCIATION ;  CARBON ;  MECHANISM ;  PATHWAYS ;  ALUMINA
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000326774300011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/119194
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:
Liu, Jin-Xun,Su, Hai-Yan,Sun, Da-Peng,et al. Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2013,135(44):16284-16287.
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