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Perspectives and design principles of vacancy-ordered double perovskite halide semiconductors

DOI: 10.1021/acs.chemmater.8b05036 DOI Help

Authors: Annalise E. Maughan (Colorado State University) , Alex M. Ganose (University College London; Diamond Light Source) , David O. Scanlon (University College London; Diamond Light Source) , James R. Neilson (Colorado State University)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemistry Of Materials

State: Published (Approved)
Published: January 2019

Abstract: Halide perovskite semiconductors such as methylammonium lead iodide (CH3NH3PbI3) 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 perspective, we focus upon the structure-dynamics-property relationships in vacancy-ordered double perovskite semiconductors as they pertain to applications in photovoltaics, and 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 towards extending our understanding of perovskite functionality to defect-ordered perovskites.

Journal Keywords: Thermodynamic modeling; Heat transfer; Electrical conductivity; Cations; Perovskites

Diamond Keywords: Semiconductors; Photovoltaics

Subject Areas: Materials, Chemistry

Technical Areas:

Added On: 28/01/2019 15:30

Discipline Tags:

Earth Sciences & Environment Sustainable Energy Systems Energy Climate Change Physical Chemistry Chemistry Materials Science Perovskites Metallurgy

Technical Tags: