Theoretical Screening of Graphyne−Supported Transition Metal Single-Atom Catalyst for N2 Reduction Reaction

Qinglong Fang; Min Li; Min Zhang; Xumei Zhao; Sha Han; Cheng-Jun Xia; Anxiang Wang; You Xie; Yan Li; Fei Ma

doi:10.2139/ssrn.4300059

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Theoretical Screening of Graphyne−Supported Transition Metal Single-Atom Catalyst for N2 Reduction Reaction

Qinglong Fang Min Li Min Zhang Xumei Zhao Sha Han Cheng-Jun Xia Anxiang Wang You Xie Yan Li Fei Ma

Year: 2022 Journal: SSRN Electronic Journal Publisher: RELX Group (Netherlands)

DOI: 10.2139/ssrn.4300059

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Keywords:

Catalysis Graphyne Transition metal Reduction (mathematics) Atom (system on chip) Chemistry Materials science Computational chemistry Density functional theory Organic chemistry Engineering

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Ammonia Synthesis and Nitrogen Reduction

Physical Sciences → Chemical Engineering → Catalysis

Catalytic Processes in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Electrocatalysts for Energy Conversion

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

Theoretical Screening of Graphyne−Supported Transition Metal Single-Atom Catalyst for N2 Reduction Reaction

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