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Molecular Cluster-Controlled Quasi-Epitaxial CZTSSe/CdS Heterojunction Enables 12 3% Efficiency of Flexible Solar Cells #MMPMID41355590
Xie W; Li Y; Sun Q; Wang W; Wang R; Zhang C; Wu J; Deng H; Cheng S
Adv Sci (Weinh) 2025[Dec]; ? (?): e20208 PMID41355590show ga
Flexible Cu(2)ZnSn(S,Se)(4) (CZTSSe) solar cells have garnered significant attention in photovoltaics. Interface defects in CZTSSe/CdS heterojunctions drive carrier recombination, leading to substantial open-circuit voltage (V(OC)) loss. Herein, a deposition strategy is proposed to achieve quasi-epitaxial heterojunctions by controlling the CdS molecular clusters during the chemical bath deposition (CBD) process. The nucleation rate and size of clusters are regulated by manipulating the stirring process and a sealed NH(3) atmosphere. Small-sized CdS molecular clusters, densely adsorbed onto the CZTSSe surface at a controlled low rate, pair with dangling bonds to form the quasi-epitaxial heterojunction structure. This effectively suppresses interface defects and mitigates tunnel-enhanced recombination, resulting in an increased V(OC) of 503 mV. The epitaxial growth of CdS thin films facilitates the formation of ultrathin buffer layers, thereby enhancing the short-wavelength transmittance of the window layer, resulting in a 15% boost in short-circuit current density (J(SC)). Finally, the flexible CZTSSe solar cell achieves a power conversion efficiency (PCE) of 12.3% and demonstrates exceptional mechanical stability, retaining over 95% of its initial efficiency after thousands of bending cycles. The developed quasi-epitaxial heterojunction strategy suppresses interfacial recombination, offering a promising route toward high-efficiency flexible kesterite solar cells.