Theoretical investigation on graphene-supported single-atom catalysts for electrochemical CO<sub>2</sub> reduction

Xiting Wang; Huan Niu; Yuanshuang Liu; Chen Shao; John Robertson; Zhaofu Zhang; Yuzheng Guo

doi:10.1039/d0cy01870h

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Theoretical investigation on graphene-supported single-atom catalysts for electrochemical CO₂ reduction

Xiting Wang Huan Niu Yuanshuang Liu Chen Shao John Robertson Zhaofu Zhang Yuzheng Guo

Year: 2020 Journal: Catalysis Science & Technology Vol: 10 (24)Pages: 8465-8472 Publisher: Royal Society of Chemistry

DOI: 10.1039/d0cy01870h

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Abstract

TM atoms supported on the graphene sheet (TM@Gr_s) as promising CO₂ catalysts were investigated by first-principles calculations. Cr-, Co- and Rh@Gr_s show remarkable performance with the low limiting potentials for CO₂RR.

Keywords:

Graphene Catalysis Electrochemistry Limiting Atom (system on chip) Materials science Nanotechnology Reduction (mathematics) Chemistry Physical chemistry Electrode Computer science

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CO2 Reduction Techniques and Catalysts

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

Electrocatalysts for Energy Conversion

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

Catalytic Processes in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Theoretical investigation on graphene-supported single-atom catalysts for electrochemical CO₂ reduction

Abstract

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