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Interfacial Electronic Structure Modulation by Facet Orientation and Sulfur Vacancies in CdS/MoS2 Heterojunctions

We investigate how facet orientation and sulfur vacancies influence the interfacial charge trans- fer properties of CdS/MoS2 heterojunctions. Using density functional theory, we find that the (001)-CdS/MoS2 interface exhibits a... Click to show full abstract

We investigate how facet orientation and sulfur vacancies influence the interfacial charge trans- fer properties of CdS/MoS2 heterojunctions. Using density functional theory, we find that the (001)-CdS/MoS2 interface exhibits a...

Keywords: sulfur vacancies; facet orientation; orientation sulfur; mos2 heterojunctions; cds mos2

Journal Title: Journal of Materials Chemistry C
Year Published: 2025

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