Quasi-epitaxial heterojunction interface reconstruction enables 11.96% certified efficiency in Cd-free Cu<sub>2</sub>ZnSnS<sub>4</sub> solar cells.

Luo, Ping; Chen, Shuo; Chen, Guojie; Abbas, Muhammad; Su, Zhenghua; Zheng, Zhuanghao; Ma, Hongli; Zhang, Xianghua et al. · Sci Adv · 2026

basic_science · Level V

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Abstract

Sulfide kesterite Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) is a promising photovoltaic material with considerable potential for application in single-junction, multi-junction, and tandem solar cells. However, advancements in its certified power conversion efficiency (PCE) have remained slow, primarily due to severe interface recombination, which is a major limitation constraining the overall performance of CZTS solar cells. Here, we report an effective heterojunction interface engineering approach in which the CZTS/(Zn,Sn)O heterojunction is subjected to a controlled annealing treatment under dynamically flowing air atmosphere. This treatment induces Zn and Sn cation lattice diffusion to reconstruct a quasi-epitaxial contact at the intermediate interface. This reconstruction effectively suppresses defect-assisted interfacial carrier recombination and optimizes carrier dynamics by enhancing transport and collection efficiencies. Consequently, we achieved a highest certified efficiency of 11.96% for Cd-free, pure-sulfide CZTS solar cell (bandgap > 1.5 eV) without extrinsic cation alloying. This study provides insights into heterojunction interface optimization and the performance enhancement mechanism in the development of kesterite solar cells.