On the surface passivating principle of functional thiol towards efficient and stable perovskite nanocrystal solar cells

Song, Hochan; Yang, Jonghee; Lim, Seul Gi; Lee, Jeongjae; Jeong, Woo Hyeon; Choi, Hyuk; Lee, Ju Hyeok; Kim, Hyun You; Lee, Bo Ram; Choi, Hyosung

doi:10.1016/j.cej.2022.140224

Title: On the surface passivating principle of functional thiol towards efficient and stable perovskite nanocrystal solar cells

Journal Article · Mon Nov 07 00:00:00 UTC 2022 · Chemical Engineering Journal

DOI: https://doi.org/10.1016/j.cej.2022.140224 · OSTI ID:2425422

Song, Hochan ^[1]; Yang, Jonghee ^[2]; Lim, Seul Gi ^[1]; Lee, Jeongjae ^[3]; Jeong, Woo Hyeon ^[1]; Choi, Hyuk ^[4]; Lee, Ju Hyeok ^[4]; Kim, Hyun You ^[4]; Lee, Bo Ram ^[5]; Choi, Hyosung ^[1]

Hanyang Univ., Seoul (Korea, Republic of)
Univ. of Tennessee, Knoxville, TN (United States)
Seoul National Univ. (Korea, Republic of)
Chungnam National Univ., Daejeon (Korea, Republic of)
Pukyong National University, Busan (Korea, Republic of)

Inorganic halide perovskite nanocrystals (PNCs) have demonstrated promising potential for solar cell applications. However, the lability of photoactive CsPbI3 phase under ambient conditions, coupled with considerable amounts of surface defects induced during solidification process, have impeded achieving high performances and longevities of the PNC-based solar cells. Post-treatment of the PNCs with organic ligands has been proposed as an efficient strategy for surface passivation, which, however, still relies on the binding actions of typical functional groups towards surface defects (especially, carboxylates onto iodine vacancies). Herein, we uncover that thiolate, a deprotonated form of thiol, renders distinctive binding feasibility towards iodine vacancies at the CsPbI3 PNC surface, compared with those of typical functional groups. By treating the PNC solid with deprotonated cysteine as a ligand, the surface defects are comprehensively passivated. The solar cells with the modified PNC films demonstrate an excellent PCE of 15.5 % and improved device longevity (77 % of initial PCE over 2 months) under ambient conditions. Our work not only elucidates the chemical principles of thiol on the binding with PNC surface, but also corroborates the power of thiolate as a promising strategy to develop high performances and improved longevity of solar cells.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)

Sponsoring Organization:: National Research Foundation (NRF); USDOE Office of Science (SC)

Grant/Contract Number:: SC0012704

OSTI ID:: 2425422

Journal Information:: Chemical Engineering Journal, Journal Name: Chemical Engineering Journal Journal Issue: P2 Vol. 454; ISSN 1385-8947

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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