Bioinspired stability enhancement in deuterium-substituted organic–inorganic hybrid perovskite solar cells

Tong, Jinhui; Li, Xun; Wang, Jianxin; He, Haiying; Xu, Tao; Zhu, Kai

doi:10.1093/pnasnexus/pgad160

Bioinspired stability enhancement in deuterium-substituted organic–inorganic hybrid perovskite solar cells

Journal Article · Tue May 16 00:00:00 EDT 2023 · PNAS Nexus

DOI:https://doi.org/10.1093/pnasnexus/pgad160· OSTI ID:1975557

Tong, Jinhui ^[1]; ^[2]; Wang, Jianxin ^[2]; ^[3]; ^[2]; Zhu, Kai ^[1]

National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Northern Illinois Univ., DeKalb, IL (United States)
Valparaiso Univ., IN (United States)

In hybrid perovskite solar cells (PSCs), the reaction of hydrogens (H) located in the amino group of the organic A-site cations with their neighboring halides plays a central role in degradation. Inspired by the retarded biological activities of cells in heavy water, we replaced the light H atom with its abundant, twice-as-heavy, nonradioactive isotope, deuterium (D) to hamper the motion of H. This D substitution retarded the formation kinetics of the detrimental H halides in Pb-based PSCs, as well as the H bond-mediated oxidation of Sn²⁺ in Sn–Pb-based narrow-bandgap PSCs, evidenced by accelerated stability studies. A computational study indicated that the zero point energy of D-based formamidinium (FA) is lower than that of pristine FA. In addition, the smaller increase in entropy in D-based FA than in pristine FA accounts for the increased formation free energy of the Sn²⁺ vacancies, which leads to the retarded oxidation kinetics of Sn²⁺. In this study, we show that substituting active H with D in organic cations is an effective way to enhance the stability of PSCs without sacrificing photovoltaic (PV) performance. This approach is also adaptable to other stabilizing methods.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office; National Science Foundation (NSF); USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: AC36-08GO28308; DMR 1806152

OSTI ID:: 1975557

Alternate ID(s):: OSTI ID: 1983886

Report Number(s):: NREL/JA-5900-86171; MainId:86944; UUID:c0268598-9fc5-4dcc-ad68-afb3d083f1eb; MainAdminID:69598

Journal Information:: PNAS Nexus, Vol. 2, Issue 5; ISSN 2752-6542

Publisher:: Oxford University PressCopyright Statement

Country of Publication:: United States

Language:: English

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Bioinspired stability enhancement in deuterium-substituted organic–inorganic hybrid perovskite solar cells Tong, Jinhui; Li, Xun; Wang, Jianxin PNAS Nexus, Vol. 2, Issue 5 https://doi.org/10.1093/pnasnexus/pgad160	journal	May 2023

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