Computational screening of Group VⅢ@C5N4 single-atom electrocatalysts for overall water splitting

Cuimei Li; Dong Cao; Dandan Guo; Chun‐Ran Chang

doi:10.1016/j.mcat.2024.114619

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Computational screening of Group VⅢ@C5N4 single-atom electrocatalysts for overall water splitting

Cuimei Li Dong Cao Dandan Guo Chun‐Ran Chang

Year: 2024 Journal: Molecular Catalysis Vol: 569 Pages: 114619-114619 Publisher: Elsevier BV

DOI: 10.1016/j.mcat.2024.114619

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Keywords:

Water splitting Group (periodic table) Catalysis Atom (system on chip) Chemistry Materials science Computer science Biochemistry Organic chemistry Parallel computing

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Electrocatalysts for Energy Conversion

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

Ammonia Synthesis and Nitrogen Reduction

Physical Sciences → Chemical Engineering → Catalysis

Advanced Photocatalysis Techniques

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

Computational screening of Group VⅢ@C5N4 single-atom electrocatalysts for overall water splitting

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