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Perspectives and Design Principles of Vacancy-Ordered Double Perovskite Halide Semiconductors

Maughan, AE; Ganose, AM; Scanlon, DO; Neilson, JR; (2019) Perspectives and Design Principles of Vacancy-Ordered Double Perovskite Halide Semiconductors. Chemistry of Materials , 31 (4) pp. 1184-1195. 10.1021/acs.chemmater.8b05036. Green open access

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Abstract

Halide perovskite semiconductors such as methylammonium lead iodide (CH 3 NH 3 PbI 3 ) have achieved great success in photovoltaic devices; however, concerns surrounding toxicity of lead and material stability have motivated the field to pursue alternative perovskite compositions and structures. Vacancy-ordered double perovskites are a defect-ordered variant of the perovskite structure characterized by an antifluorite arrangement of isolated octahedral units bridged by A-site cations. In this Review, we focus upon the structure-dynamics-property relationships in vacancy-ordered double perovskite semiconductors as they pertain to applications in photovoltaics, and we propose avenues of future study within the context of the broader perovskite halide literature. We describe the compositional and structural motifs that dictate the optical gaps and charge transport behavior and discuss the implications of charge ordering, lattice dynamics, and organic-inorganic coupling upon the properties of these materials. The design principles we elucidate here represent an important step toward extending our understanding of perovskite functionality to defect-ordered perovskites.

Type: Article
Title: Perspectives and Design Principles of Vacancy-Ordered Double Perovskite Halide Semiconductors
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/acs.chemmater.8b05036
Publisher version: https://doi.org/10.1021/acs.chemmater.8b05036
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10070846
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