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Strain-Induced Band-Edge Modulation in Lead-Free Antimony-Based Double Perovskite for Visible-Light Absorption

Cite this: ACS Appl. Energy Mater. 2022, 5, 4, 3926–3932
Publication Date (Web):February 22, 2022
https://doi.org/10.1021/acsaem.1c03598
Copyright © 2022 American Chemical Society

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    Abstract

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    Herein, we synthesized Sb-based single crystals (SCs) of Cs2AgSbCl6 with an impressive low bandgap of ∼1.82 eV and demonstrated the effect of strain on optical properties. Interestingly, the polycrystalline ground powder and the heated SCs of Cs2AgSbCl6 exhibited a larger bandgap of ∼2.55 eV. The reduction of bandgap is attributed to the existence of strain in the SC as confirmed by X-ray diffraction and Raman spectroscopy and supported by density functional theory (DFT) calculations. The strain engineering for bandgap reduction can play a pivotal role for developing low-bandgap lead-free double perovskite for environmentally friendly solar cell applications.

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    Cited By

    This article is cited by 3 publications.

    1. Aniruddha Ray, Beatriz Martín-García, Mirko Prato, Anna Moliterni, Simone Bordignon, Davide Spirito, Sergio Marras, Luca Goldoni, Karunakara Moorthy Boopathi, Fabrizio Moro, Nicola Pietro Maria Casati, Carlotta Giacobbe, Makhsud I. Saidaminov, Cinzia Giannini, Michele R. Chierotti, Roman Krahne, Liberato Manna, Ahmed L. Abdelhady. Mixed Organic Cations Promote Ambient Light-Induced Formation of Metallic Lead in Lead Halide Perovskite Crystals. ACS Applied Materials & Interfaces 2023, 15 (23) , 28166-28174. https://doi.org/10.1021/acsami.3c03366
    2. Tian-Yu Tang, Yan-Lin Tang. Physical and optoelectronic properties of double halide perovskites A2CuSbX6 (A = Cs, Rb, K; X = Cl, Br, I) based on first principles calculations. Chemical Physics 2023, 31 , 111897. https://doi.org/10.1016/j.chemphys.2023.111897
    3. Ismail A. M. Ibrahim, Chan-Yeup Chung. Lead-free double perovskites: how divalent cations tune the electronic structure for photovoltaic applications. Journal of Materials Chemistry C 2022, 10 (34) , 12276-12285. https://doi.org/10.1039/D2TC02903K

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