ArticleRSC advances2025
Optoelectronic properties and device simulation of ZnS polymorphs as buffer layers for CZTSSe solar cells.
Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
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Authors and funding
8 authors.
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No grant is acknowledged in the PubMed record.
Abstract
Kesterite (CZTSSe) has emerged as a sustainable thin-film absorber, yet its device efficiencies remain below those of leading photovoltaic technologies. Optimizing the buffer layer (BL) is a promising strategy to overcome these limitations. Here, we combined density functional theory (DFT) calculations with SCAPS-1D simulations to systematically evaluate ZnS polymorphs (cubic, hexagonal, trigonal) as a BL for CZTSSe solar cells. DFT analysis (GGA-PBE, CASTEP) reveals band gaps of 3.51 eV (cubic), 3.52 eV (hexagonal), and 3.53 eV (trigonal). The hexagonal phase exhibits superior carrier transport properties with electron and hole mobilities of 343.2 and 92.6 cm
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