Theoretical Investigation on the Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reaction...
Theoretical Investigation on the Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reactions Performances of Two-Dimensional Metal-Organic Frameworks Fe3(C2X)12 (X = NH, O, S)
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Basel: MDPI AG
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English
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Basel: MDPI AG
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Two-dimensional metal-organic frameworks (2D MOFs) inherently consisting of metal entities and ligands are promising single-atom catalysts (SACs) for electrocatalytic chemical reactions. Three 2D Fe-MOFs with NH, O, and S ligands were designed using density functional theory calculations, and their feasibility as SACs for hydrogen evolution reactio...
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Full title
Theoretical Investigation on the Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reactions Performances of Two-Dimensional Metal-Organic Frameworks Fe3(C2X)12 (X = NH, O, S)
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TN_cdi_doaj_primary_oai_doaj_org_article_28a28085e68a48babfaaaf8efcd42ac7
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_28a28085e68a48babfaaaf8efcd42ac7
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ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules27051528
