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Title: Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1–xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency Challenges
Authors: 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. 
Snaith, Henry J. 
Major Field of Science: Natural Sciences
Field Category: Chemical Sciences
Keywords: Bismuth compounds;Bromine compounds;Calculations;Cesium compounds;Efficiency;Electronic properties;Energy gap;Indium;Perovskite;Perovskite solar cells;Phase transitions;Silver compounds
Issue Date: 12-Mar-2021
Source: ACS Energy Letters, 2021, vol. 6, no. 3, pp. 1073 - 1081
Volume: 6
Issue: 3
Start page: 1073
End page: 1081
Journal: ACS Energy Letters 
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.
ISSN: 2380-8195
DOI: 10.1021/acsenergylett.0c02524
Rights: © American Chemical Society
Attribution-NonCommercial-NoDerivatives 4.0 International
Type: Article
Affiliation : University of Oxford 
Université de Rennes 
Cyprus University of Technology 
University of Applied Sciences and Arts Northwestern Switzerland 
University College London 
University of Cambridge 
University of Texas at Austin 
Northumbria University 
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