Theoretical screening of efficient single-atom catalysts for nitrogen fixation based on a defective BN monolayer

Zuju Ma; Zhitao Cui; Chengwei Xiao; Wen Dai; Yaohui Lv; Qiaohong Li; Rongjian Sa

doi:10.1039/c9nr08969a

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Theoretical screening of efficient single-atom catalysts for nitrogen fixation based on a defective BN monolayer

Zuju Ma Zhitao Cui Chengwei Xiao Wen Dai Yaohui Lv Qiaohong Li Rongjian Sa

Year: 2019 Journal: Nanoscale Vol: 12 (3)Pages: 1541-1550 Publisher: Royal Society of Chemistry

DOI: 10.1039/c9nr08969a

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Abstract

A single V atom anchored on h-BN exhibits outstanding catalytic activity for the NRR with a low onset potential of 0.25 V.

Keywords:

Monolayer Nitrogen atom Catalysis Atom (system on chip) Nitrogen Materials science Crystallography Chemistry Nanotechnology Biochemistry Computer science Organic chemistry

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Ammonia Synthesis and Nitrogen Reduction

Physical Sciences → Chemical Engineering → Catalysis

Hydrogen Storage and Materials

Physical Sciences → Materials Science → Materials Chemistry

MXene and MAX Phase Materials

Physical Sciences → Materials Science → Materials Chemistry

Theoretical screening of efficient single-atom catalysts for nitrogen fixation based on a defective BN monolayer

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