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Science & ResearchJul 28, 2026

Facet-Dependent Electronic Properties and Interfacial Point Defect Interactions in WS$_2$/ZnO Heterostructures

Aiming at two-dimensional materials for high-efficiency optoelectronics, WS$2$/ZnO heterostructures are computationally screened for their facet-dependent electronic properties and interfacial defect thermodynamics using first-principles…

Aiming at two-dimensional materials for high-efficiency optoelectronics, WS$2$/ZnO heterostructures are computationally screened for their facet-dependent electronic properties and interfacial defect thermodynamics using first-principles hybrid functional calculations. Interface…

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