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Single-atom Fe with Fe1N3 structure showing superior performances for both hydrogenation and transfer hydrogenation of nitrobenzene

文献类型：期刊论文

作者Tian, Shubo1; Hu, Min3,4; Xu, Qi1; Gong, Wanbing5; Chen, Wenxing2; Yang, Jiarui1; Zhu, Youqi2; Chen, Chun5; He, Jia3,4; Liu, Qiang1
刊名SCIENCE CHINA-MATERIALS
出版日期2020-10-15
关键词single-atomic Fe catalyst hydrogenation of nitrobenzene transfer hydrogenation DFT calculations
ISSN号2095-8226
DOI10.1007/s40843-020-1443-8
通讯作者Wang, Dingsheng(wangdingsheng@mail.tsinghua.edu.cn)
英文摘要The design of non-noble metal heterogeneous catalyst with superior performance for selective hydrogenation or transfer hydrogenation of nitroarenes to amines is significant but challenging. Herein, a single-atom Fe supported by nitrogen-doped carbon (Fe-1/N-C) catalyst is reported. The Fe-1/N-C sample shows superior performances for the selective hydrogenation and transfer hydrogenation of nitrobenzene to aniline at different temperatures. Density functional theory (DFT) calculations show that the superior catalytic activity for the selective hydrogenation at lower temperatures could be attributed to the effective activation of the reactant and intermediates by the Fe-1/N-C. Moreover, the excellent performance of Fe-1/N-C for the selective transfer hydrogenation could be attributed to that the reaction energy barrier for dehydrogenation of isopropanol can be overcome by elevated temperatures.
WOS关键词CATALYZED REDUCTION ; CO ; NITROARENES ; ADSORPTION ; IDENTIFICATION ; OXIDATION ; EFFICIENT ; DESIGN ; CARBON ; OXYGEN
资助项目National Key R&D Program of China[2018YFA0702003] ; National Natural Science Foundation of China[21890383] ; National Natural Science Foundation of China[21671117] ; National Natural Science Foundation of China[21871159] ; National Natural Science Foundation of China[21901135] ; Science and Technology Key Project of Guangdong Province of China[2020B010188002]
WOS研究方向Materials Science
语种英语
WOS记录号WOS:000579066800001
出版者SCIENCE PRESS
资助机构National Key R&D Program of China ; National Natural Science Foundation of China ; Science and Technology Key Project of Guangdong Province of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/104518]  
专题中国科学院合肥物质科学研究院
通讯作者Wang, Dingsheng
作者单位1.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China
2.Beijing Inst Technol, Sch Mat Sci & Engn, Beijing Key Lab Construct Tailorable Adv Funct Ma, Beijing 100081, Peoples R China
3.Tianjin Univ Technol, Sch Mat Sci & Engn, Tianjin Key Lab Adv Funct Porous Mat, Tianjin 300384, Peoples R China
4.Tianjin Univ Technol, Sch Mat Sci & Engn, Inst New Energy Mat & Low Carbon Technol, Tianjin 300384, Peoples R China
5.Chinese Acad Sci, Ctr Environm & Energy Nanomat, Inst Solid State Phys, Key Lab Mat Phys,Anhui Key Lab Nanomat & Nanotech, Hefei 230031, Peoples R China
推荐引用方式
GB/T 7714		 Tian, Shubo,Hu, Min,Xu, Qi,et al. Single-atom Fe with Fe1N3 structure showing superior performances for both hydrogenation and transfer hydrogenation of nitrobenzene[J]. SCIENCE CHINA-MATERIALS,2020.
APA Tian, Shubo.,Hu, Min.,Xu, Qi.,Gong, Wanbing.,Chen, Wenxing.,...&Li, Yadong.(2020).Single-atom Fe with Fe1N3 structure showing superior performances for both hydrogenation and transfer hydrogenation of nitrobenzene.SCIENCE CHINA-MATERIALS.
MLA Tian, Shubo,et al."Single-atom Fe with Fe1N3 structure showing superior performances for both hydrogenation and transfer hydrogenation of nitrobenzene".SCIENCE CHINA-MATERIALS (2020).

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来源：合肥物质科学研究院

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