Enhancing the photocatalytic hydrogen generation performance and strain regulation of the vertical GeI<sub>2</sub>/C<sub>2</sub>N van der Waals heterostructure: insights from first-principles study
Francis Opoku, Samuel Osei‐Bonsu Oppong, Noah Kyame Asare–Donkor, Osei Akoto, Anthony Apeke Adimado
Abstract
The band edges of GeI 2 /C 2 N vdW are favourable to generate H 2 at pH 0 to 9 with transition from a type-II indirect to type-I direct bandgap semiconductor under tensile biaxial strain.
Topics & Concepts
van der Waals forceStrain (injury)HeterojunctionPhotocatalysisSemiconductorTensile strainMaterials scienceBand gapHydrogenDirect and indirect band gapsOptoelectronicsCondensed matter physicsUltimate tensile strengthNanotechnologyChemistryPhysicsComposite materialQuantum mechanicsCatalysisMoleculeMedicineInternal medicineBiochemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques