journal article·2021-03-12Open access

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

Laura Schade, Suhas Mahesh, George Volonakis, Marios Zacharias, Bernard Wenger, Felix Schmidt, Sameer Vajjala Kesava, Dharmalingam Prabhakaran, Mojtaba Abdi-Jalebi, Markus Lenz, Feliciano Giustino, Giulia Longo, Paolo G. Radaelli, Henry J. Snaith

ACS Energy Letters· Volume 6· Issue 3

Abstract

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.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Perovskite Materials and Applications · Chalcogenide Semiconductor Thin Films · Quantum Dots Synthesis And Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Clarendon Laboratory, Department of Physics, University of Oxford, Oxford OX1 3 PU, United Kingdom

Université Rennes, ENSCR, INSA Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes), UMR 6226, Rennes, France

Department of Mechanical and Materials Science Engineering, Cyprus University of Technology, P.O. Box 50329, 3603 Limassol, Cyprus

School of Life Sciences, Institute for Ecopreneurship, University of Applied Sciences and Arts Northwestern Switzerland (FHNW), 4132 Muttenz, Switzerland

Institute for Materials Discovery, University College London, Malet Place, London WC1E 7JE, United Kingdom

Cavendish Laboratory, Department of Physics, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE, United Kingdom

Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712, United States

Department of Physics, The University of Texas at Austin, Austin, Texas 78712, United States

Department of Mathematics, Physics and Electrical Engineering, Northumbria University, Ellison Place, Newcastle upon Tyne NE18ST, United Kingdom

Funding

Engineering and Physical Sciences Research Council · Royal Society · Welch Foundation · Wolfson College, University of Oxford · University of Oxford · Balliol College, University of Oxford · Chaire de Recherche Rennes Metropole · Cambridge Materials Limited

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