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Ordered B-site vacancies in an ABX3 formate perovskite

DOI: 10.1021/jacs.9b09358 DOI Help

Authors: Hanna L. B. Bostroem (University of Oxford; Uppsala University) , Jonas Bruckmoser (Technical University of Munich) , Andrew L. Goodwin (University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of The American Chemical Society

State: Published (Approved)
Published: October 2019

Abstract: We report the synthesis and structural characterization of the ABX3 perovskite frameworks [C(NH2)3]Mn1–x2+(Fe2x/33+,□x/3)(HCOO)3 (□ = B-site vacancy). For large x, the vacancies order, lowering the crystal symmetry. This system establishes B-site vacancies as a new type of defect in formate perovskites, with important chemical, structural, and functional implications. Monte Carlo simulations driven by nearest-neighbor vacancy repulsions show checkerboard vacancy order to emerge for x > 0.6, in accord with experiment.

Subject Areas: Chemistry


Instruments: I11-High Resolution Powder Diffraction

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