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Density functional theory-based design of low-lattice mismatch MoS2/ZnSe and Zn3P2/MoS2 interfaces for enhanced photovoltaic efficiency via SCAPS-1D optimization

Title: Density functional theory-based design of low-lattice mismatch MoS2/ZnSe and Zn3P2/MoS2 interfaces for enhanced photovoltaic efficiency via SCAPS-1D optimization

Author Name: Rakesh Kumar, Keyur Sangani, Ankur Pandya, Nitesh K. Chourasia and Ritesh Kumar Chourasia

Journal Name: Inorganic Chemistry Communications

Publisher: Elsevier

Volume: 179 Part 1

Published Year: September 2025

DOI: https://doi.org/10.1016/j.inoche.2025.114677

Indexed in: Scopus