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hcp-phased Ni nanoparticles with generic catalytic hydrogenation activities toward different functional groups

文献类型：期刊论文

作者Lv, Yang4; Mao, Xin3; Gong, Wanbing2,4; Wang, Dongdong4; Chen, Chun4; Liu, Porun; Lin, Yue2; Wang, Guozhong4; Zhang, Haimin4; Du, Aijun3
刊名SCIENCE CHINA-MATERIALS
出版日期2021-12-02
ISSN号2095-8226
关键词crystal phase engineering hcp-phased Ni nano-particles catalytic hydrogenation DFT calculations H2O solvent
DOI10.1007/s40843-021-1860-x
通讯作者Gong, Wanbing(wbgong2021@ustc.edu.cn) ; Du, Aijun(aijun.du@qut.edu.au) ; Zhao, Huijun(h.zhao@griffith.edu.au)
英文摘要Catalytic hydrogenation is a vital industrial means to produce value-added fuels and fine chemicals, however, requiring highly efficient catalysts, especially the nonprecious ones. To date, the majority of high-performance industrial hydrogenation catalysts are made of precious metals-based materials, and any given catalyst could only be used to catalyze one or few specific reactions. Herein, we exemplify a crystal phase engineering approach to empower Ni nanoparticles (NPs) with superb intrinsic catalytic activities toward a wide spectrum of hydrogenation reactions. A facile pyrolysis approach is used to directly convert a Ni-imidazole MOF precursor into hexagonal close-packed (hcp)-phased Ni NPs on carbon support. The as-synthesized hcp-phased Ni NPs exhibit unprecedented hydrogenation catalytic activities in pure water towards nitro-, aldehyde- , ketone-, alkene- and N heterocyclic-compounds, outperforming the face-centered cubic (fcc)-Ni counterpart and the reported transition metals-based catalysts. The density functional theory calculations unveil that the presence of hcp-Ni boosts the intrinsic catalytic hydrogenation activity by coherently enhancing the substrate adsorption strength and lowering the reaction barrier energy of the rate-determining step. We anticipate that the crystal phase engineering design approach unveiled in this work would be adoptable to other types of reactions.
WOS关键词TOTAL-ENERGY CALCULATIONS ; ELASTIC BAND METHOD ; SELECTIVE HYDROGENATION ; NITRO-COMPOUNDS ; POROUS CARBON ; REDUCTION ; NANOCRYSTALS ; EFFICIENT ; NICKEL ; NITROBENZENE
资助项目National Natural Science Foundation of China[51902311] ; National Natural Science Foundation of China[51871209]
WOS研究方向Materials Science
语种英语
出版者SCIENCE PRESS
WOS记录号WOS:000728245200001
资助机构National Natural Science Foundation of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/127141]  
专题中国科学院合肥物质科学研究院
通讯作者Gong, Wanbing; Du, Aijun; Zhao, Huijun
作者单位1.Griffith Univ, Ctr Catalysis & Clean Energy, Southport, Qld 4222, Australia
2.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
3.Queensland Univ Technol, Sch Chem Phys & Mech Engn, Fac Sci & Engn, Gardens Point Campus, Brisbane, Qld 4001, Australia
4.Chinese Acad Sci, Key Lab Mat Phys, Ctr Environm & Energy Nanomat,Hefei Inst Phys Sci, Anhui Key Lab Nanomat & Nanotechnol,Inst Solid St, Hefei 230031, Peoples R China
推荐引用方式
GB/T 7714		 Lv, Yang,Mao, Xin,Gong, Wanbing,et al. hcp-phased Ni nanoparticles with generic catalytic hydrogenation activities toward different functional groups[J]. SCIENCE CHINA-MATERIALS,2021.
APA Lv, Yang.,Mao, Xin.,Gong, Wanbing.,Wang, Dongdong.,Chen, Chun.,...&Zhao, Huijun.(2021).hcp-phased Ni nanoparticles with generic catalytic hydrogenation activities toward different functional groups.SCIENCE CHINA-MATERIALS.
MLA Lv, Yang,et al."hcp-phased Ni nanoparticles with generic catalytic hydrogenation activities toward different functional groups".SCIENCE CHINA-MATERIALS (2021).

入库方式： OAI收割

来源：合肥物质科学研究院

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