Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1–xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency Challenges

Schade, Laura, Mahesh, Suhas, Volonakis, George, Zacharias, Marios, Wenger, Bernard, Schmidt, Felix, Kesava, Sameer Vajjala, Prabhakaran, Dharmalingam, Abdi-Jalebi, Mojtaba, Lenz, Markus, Giustino, Feliciano, Longo, Giulia, Radaelli, Paolo G. and Snaith, Henry J. (2021) Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1–xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency Challenges. ACS Energy Letters, 6 (3). pp. 1073-1081. ISSN 2380-8195

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We present a crystallographic and optoelectronic study of the double perovskite Cs2AgBi1–xInxBr6. From structural characterization we determine that the indium cation shrinks the lattice and shifts the cubic-to-tetragonal phase transition point to lower temperatures. The absorption onset is shifted to shorter wavelengths upon increasing the indium content, leading to wider band gaps, which we rationalize through first-principles band structure calculations. Despite the unfavorable band gap shift, we observe an enhancement in the steady-state photoluminescence intensity, and n-i-p photovoltaic devices present short-circuit current greater than that of neat Cs2AgBiBr6 devices. In order to evaluate the prospects of this material as a solar absorber, we combine accurate absorption measurements with thermodynamic modeling and identify the fundamental limitations of this system. Provided radiative efficiency can be increased and the choice of charge extraction layers are specifically improved, this material could prove to be a useful wide band gap solar absorber.

Item Type: Article
Additional Information: Funding information: This work was funded in part by the Engineering and Physical Sciences Research Council (EPSRC) UK, under EP/S004947/1. L.S. acknowledges financial support from the UK Engineering and Physical Sciences Research Council (EPSRC) and from Balliol college at Oxford University (J.T. Hamilton scholarship). G.V. acknowledges funding from the Chaire de Recherche Rennes Metropole project. F.G. was supported by the Robert A. Welch Foundation under Award Number F-1990-20190330. M.A.-J. thanks Cambridge Materials Limited, Wolfson College, University of Cambridge, and the Royal Society for their funding and technical support. S.V.K. expresses gratitude to EPSRC (WAFT, Grant No. EP/M015173/1) for the spectroscopic ellipsometer. S.M. gratefully acknowledges funding from the Rhodes Scholarships.
Uncontrolled Keywords: absorption, indium, electrical conductivity, Perovskites, materials
Subjects: F200 Materials Science
H600 Electronic and Electrical Engineering
Department: Faculties > Engineering and Environment > Mathematics, Physics and Electrical Engineering
Depositing User: John Coen
Date Deposited: 03 Mar 2021 15:58
Last Modified: 19 Feb 2022 03:32

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