Journal of Materials Chemistry A · 2023 · 14 citations · 39 references
Natural SciencesChemistryMaterials ScienceCatalysisInorganic ChemistryReaction EngineeringCatalyst DesignCatalyst SynthesisCatalytic MaterialsPhotocatalysisPhotochemistryPhotoelectrochemistryPhotocatalyst DesignPhotocatalytic MaterialsPhotocatalytic Water SplittingSolar PhotocatalysisSolar-to-hydrogen ConversionWater SplittingWater Splitting CatalysisWater-splitting Catalysts
This work offers a potential method for developing brand-new, highly effective photocatalysts for water splitting via tuning chemical composition based on available parent M 2 X 3 materials.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
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<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
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