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题名: Solid frustrated-Lewis-pair catalysts constructed by regulations on surface defects of porous nanorods of CeO2
作者: Zhang, Sai1, 2;  Huang, Zheng-Qing3;  Ma, Yuanyuan1, 2, 4;  Gao, Wei1, 2;  Li, Jing1, 2;  Cao, Fangxian1, 2;  Li, Lin5;  Chang, Chun-Ran3;  Qu, Yongquan1, 2, 4
刊名: NATURE COMMUNICATIONS
发表日期: 2017-05-18
DOI: 10.1038/ncomms15266
卷: 8
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology
类目[WOS]: Multidisciplinary Sciences
研究领域[WOS]: Science & Technology - Other Topics
英文摘要: Identification on catalytic sites of heterogeneous catalysts at atomic level is important to understand catalytic mechanism. Surface engineering on defects of metal oxides can construct new active sites and regulate catalytic activity and selectivity. Here we outline the strategy by controlling surface defects of nanoceria to create the solid frustrated Lewis pair (FLP) metal oxide for efficient hydrogenation of alkenes and alkynes. Porous nanorods of ceria (PN-CeO2) with a high concentration of surface defects construct new Lewis acidic sites by two adjacent surface Ce3+. The neighbouring surface lattice oxygen as Lewis base and constructed Lewis acid create solid FLP site due to the rigid lattice of ceria, which can easily dissociate H-H bond with low activation energy of 0.17 eV.
关键词[WOS]: INITIO MOLECULAR-DYNAMICS ;  TOTAL-ENERGY CALCULATIONS ;  WAVE BASIS-SET ;  CO2 REDUCTION ;  HYDROGENATION CATALYSIS ;  COUPLING REACTIONS ;  CERIA ;  H-2 ;  ACTIVATION ;  CHEMISTRY
语种: 英语
WOS记录号: WOS:000401508600001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152287
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.Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Ctr Appl Chem Res, XiYi Hall,99 Yanxiang Rd, Xian 710049, Shannxi, Peoples R China
2.Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, XiYi Hall,99 Yanxiang Rd, Xian 710049, Shannxi, Peoples R China
3.Xi An Jiao Tong Univ, Sch Chem Engn & Technol, Inst Ind Catalysis, Xian 710049, Peoples R China
4.Xi An Jiao Tong Univ, MOE Key Lab Nonequilibrium Synth & Modulat Conden, Xian 710049, Peoples R China
5.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China

Recommended Citation:
Zhang, Sai,Huang, Zheng-Qing,Ma, Yuanyuan,et al. Solid frustrated-Lewis-pair catalysts constructed by regulations on surface defects of porous nanorods of CeO2[J]. NATURE COMMUNICATIONS,2017,8.
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