Heterojunction lithiation engineering and diffusion-induced defect passivation for highly efficient Sb2(S,Se)3 solar cells

Cong Liu; Anweng Gong; Chen Zuo; Tao Liu; Xiaoyang Liang; Donglou Ren; Kai Shen; Jianzha Zheng; Qifan Xue; Zhiqiang Li; Ruud E. I. Schropp; Bingsuo Zou; Yaohua Mai

doi:10.1039/D4EE03135K

Heterojunction lithiation engineering and diffusion-induced defect passivation for highly efficient Sb₂(S,Se)₃ solar cells†

Cong Liu,

*^a Anweng Gong,^a Chen Zuo,^a Tao Liu,

*^a Xiaoyang Liang,^b Donglou Ren,

^a Kai Shen,^c Jianzha Zheng,^d Qifan Xue,

^e Zhiqiang Li,^b Ruud E. I. Schropp,

^c Bingsuo Zou

*^a and Yaohua Mai*^c

Author affiliations

* Corresponding authors

^a State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures, School of Resources, Environment and Materials, Guangxi University, Nanning 530004, China
E-mail: congliu@gxu.edu.cn, liutaozhx@gxu.edu.cn, zoubs@gxu.edu.cn

^b National-Local Joint Engineering Laboratory of New Energy Photoelectric Devices, College of Physics Science and Technology, Hebei University, Baoding 071002, China

^c Institute of New Energy Technology, College of Information Science and Technology, Jinan University, Guangzhou 510632, China
E-mail: yaohuamai@jnu.edu.cn

^d Institute of Applied Physics and Materials Engineering, University of Macau, Macao, Macao SAR 999078, China

^e State Key Laboratory of Luminescent Materials and Devices, Institute of Polymer Optoelectronic Materials and Devices, School of Materials Science and Engineering, South China University of Technology, Guangzhou 510640, China

Abstract

High-quality heterojunctions are crucial for achieving high power conversion efficiency (PCE) in the antimony selenosulfide (Sb₂(S,Se)₃) solar cells. Here, we introduce lithium fluoride (LiF) doping of the precursor solution to improve the conductivity, morphology, and n-type characteristics of cadmium sulfide (CdS) films. In addition, Li-ions have high mobility, which enhances in situ diffusion into the Sb₂(S,Se)₃ absorber layer during subsequent hydrothermal deposition. Li effectively passivates selenium vacancies (V_Se) and antimony anti-site (Sb_S) defects through the formation of Li–S(e) bonds. This lithiation process not only realizes a twofold optimization of the CdS buffer layer and the Sb₂(S,Se)₃ absorber layer, but also yields a favorable energy level arrangement and a wider depletion region at the CdS/Sb₂(S,Se)₃ heterojunction. By this way, we have achieved a champion PCE of 10.76% compared to a certified value of 10.50% for Sb₂(S,Se)₃ solar cells, which is the highest certified efficiency reported for Sb-based solar cells so far. This study provides a convenient method to optimize dual functional layers and heterojunctions for high-performance Sb₂(S,Se)₃ solar cells.

Energy & Environmental Science

Heterojunction lithiation engineering and diffusion-induced defect passivation for highly efficient Sb₂(S,Se)₃ solar cells†

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Heterojunction lithiation engineering and diffusion-induced defect passivation for highly efficient Sb₂(S,Se)₃ solar cells

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