Two-dimensional trilayer heterostructures with cascade dual Z-schemes to achieve efficient hydrogen evolution reaction
Xue‐Qing Wan, Chuan‐Lu Yang, Xiaohu Li, Yuliang Liu, Wenkai Zhao
Abstract
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%.
Topics & Concepts
CascadeHeterojunctionDiabaticDual (grammatical number)HydrogenMolecular dynamicsMaterials scienceChemical physicsNanotechnologyOptoelectronicsPhysicsChemistryComputational chemistryChemical engineeringEngineeringThermodynamicsQuantum mechanicsAdiabatic processLiteratureArtAdvanced Photocatalysis TechniquesPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin Films