First-principles study of transition metal supported on graphyne as single atom electrocatalysts for nitric oxide reduction reaction

Huijun Kong; Ning Dong; Wei Zhang; Meng Jia; Wei Song

doi:10.1016/j.comptc.2023.114225

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First-principles study of transition metal supported on graphyne as single atom electrocatalysts for nitric oxide reduction reaction

Huijun Kong Ning Dong Wei Zhang Meng Jia Wei Song

Year: 2023 Journal: Computational and Theoretical Chemistry Vol: 1226 Pages: 114225-114225 Publisher: Elsevier BV

DOI: 10.1016/j.comptc.2023.114225

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Keywords:

Chemistry Catalysis Graphyne Electrocatalyst Transition metal Density functional theory Atom (system on chip) Oxide Selectivity Metal Nanotechnology Combinatorial chemistry Inorganic chemistry Computational chemistry Physical chemistry Organic chemistry Electrochemistry

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Ammonia Synthesis and Nitrogen Reduction

Physical Sciences → Chemical Engineering → Catalysis

Advanced Photocatalysis Techniques

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

Nanomaterials for catalytic reactions

Physical Sciences → Chemistry → Organic Chemistry

First-principles study of transition metal supported on graphyne as single atom electrocatalysts for nitric oxide reduction reaction

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