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Anionic order and band gap engineering in vacancy ordered triple perovskites

DOI: 10.1039/C8CC09947B DOI Help

Authors: Taylor L. Hodgkins (niversity of Southern California) , Christopher N. Savory (University College London) , Kelsey K. Bass (University of Southern California) , Bethany L. Seckman (University of Southern California) , David O. Scanlon (University College London; Diamond Light Source) , Peter I. Djurovich (University of Southern California) , Mark E. Thompson (University of Southern California) , Brent C. Melot (University of Southern California; University College London)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemical Communications , VOL 347

State: Published (Approved)
Published: February 2019

Abstract: We demonstrate that the optical absorption of the vacancy-ordered triple perovskite, Cs3Bi2Br9, can be significantly red-shifted by substituting Br with I while maintaining the layered structural topology. We also present evidence that Br ions prefer to occupy the bridging halide position within the layers in order to minimize strain within the lattice that results from the incorporation of the significantly larger iodide anions into the lattice. These results not only quantify the upper limit for I content in the layered polymorph, but also establish the minimum band gap obtainable from these Bi-based phases.

Subject Areas: Chemistry, Materials, Energy

Facility: Advanced Photon Source