Journal of Materials Chemistry A · 2023 · 62 citations · 75 references
Natural SciencesMaterials EngineeringMaterials ScienceComputational Materials ScienceElectronic MaterialsCatalytic MaterialsNanostructured Energy MaterialsPhotocatalysisPhotochemistrySemiconductor HeterostructuresTwo-dimensional SemiconductorsHeterostructuresHydrogen EvolutionHydrogen Evolution CatalystsPhotocatalyst DesignSolar-to-hydrogen ConversionTwo-dimensional HeterostructuresTwo-dimensional Semiconductor HeterostructuresZ-scheme Systems
Electronic properties and diabatic molecular dynamics simulations reveal that the maximum solar-to-hydrogen efficiency of photocatalytic cascade dual Z-schemes with Bi(InAs 3 )/HfSeTe/ZrSe 2 heterostructures can reach 41.04%.
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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
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17