Theoretical screening of multifunctional single-atom catalysts supported by VS2 monolayer for the electrocatalytic hydrogen evolution, oxygen evolution and oxygen reduction reactions

Liang-Cai Ma; Peng Yuan; Yin-Yin Hou; Hao Li; Haijuan Wang; Jian‐Min Zhang

doi:10.1016/j.comptc.2025.115098

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Theoretical screening of multifunctional single-atom catalysts supported by VS2 monolayer for the electrocatalytic hydrogen evolution, oxygen evolution and oxygen reduction reactions

Liang-Cai Ma Peng Yuan Yin-Yin Hou Hao Li Haijuan Wang Jian‐Min Zhang

Year: 2025 Journal: Computational and Theoretical Chemistry Vol: 1245 Pages: 115098-115098 Publisher: Elsevier BV

DOI: 10.1016/j.comptc.2025.115098

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Keywords:

Chemistry Catalysis Oxygen Oxygen atom Oxygen reduction reaction Hydrogen Monolayer Oxygen reduction Electrocatalyst Hydrogen atom Oxygen evolution Photochemistry Reduction (mathematics) Atom (system on chip) Inorganic chemistry Electrochemistry Organic chemistry Physical chemistry Electrode Molecule Group (periodic table)

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Electrocatalysts for Energy Conversion

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

Fuel Cells and Related Materials

Physical Sciences → Engineering → Electrical and Electronic Engineering

Machine Learning in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Theoretical screening of multifunctional single-atom catalysts supported by VS2 monolayer for the electrocatalytic hydrogen evolution, oxygen evolution and oxygen reduction reactions

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