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Influence of metal defects on the mechanical properties of ABX3perovskite-type metal-formate frameworks

DOI: 10.1021/acs.jpcc.0c09796 DOI Help

Authors: Hanna L. B. Bostroem (Max Planck Institute for Solid State Research) , Gregor Kieslich (Technical University of Munich)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Physical Chemistry C

State: Published (Approved)
Published: January 2021
Diamond Proposal Number(s): 22477

Open Access Open Access

Abstract: Defects are emerging as a key tool for fine-tuning the stimuli-responsive behavior of coordination polymers and metal–organic frameworks. Here, we study the ramifications of defects on the mechanical properties of the molecular perovskite [C(NH2)3]MnII(HCOO)3 and its defective analogue [C(NH2)3]Fe2/3III□1/3(HCOO)3, where □ = vacancy. Defects reduce the bulk modulus by 30% and give rise to a temperature-driven phase transition not observed in the nondefective system. The results highlight the opportunities that come with defect-engineering approaches to alter the mechanical properties and underlying thermodynamics, with important implications for the research on stimuli-responsive materials.

Journal Keywords: Physical and chemical processes; Defects in solids; Defects; Phase transitions; Perovskites

Subject Areas: Chemistry

Instruments: I15-Extreme Conditions