Elasticity of Dense Metal–Organic Framework Compounds

We present for the first time the experimentally derived complete elastic stiffness tensors of orthorhombic metal guanidinium formates, ([C­(NH2)3]­[M 2+(HCOO)3], MGFs), with M 2+ = Zn2+, Mn2+, and Cu2+ which are structurally related to (ABX 3)-perovskites using ultrasound techniques, Brillouin spec...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physical chemistry. C 2023-07, Vol.127 (27), p.13217-13227
Main Authors: Büscher, Julia, Haussühl, Eiken, Pennacchioni, Lea, Ivashko, Oleh, Bunk, Katja, Milman, Victor, Mirone, Alessandro, Bosak, Alexei, Speziale, Sergio, Winkler, Björn
Format: Article
Language:English
Subjects:
C: Physical Properties of Materials and Interfaces
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We present for the first time the experimentally derived complete elastic stiffness tensors of orthorhombic metal guanidinium formates, ([C­(NH2)3]­[M 2+(HCOO)3], MGFs), with M 2+ = Zn2+, Mn2+, and Cu2+ which are structurally related to (ABX 3)-perovskites using ultrasound techniques, Brillouin spectroscopy, and thermal diffuse scattering. Density functional theory calculations were also performed to calculate the elastic tensor of orthorhombic MGFs and extended to the study of trigonal MGFs with M 2+ = Ca2+ and Cd2+. All MGFs studied here are very compressible, with bulk moduli ranging from 20 to 30 GPa. The MGFs possess a significant anisotropy in their elastic properties, which is extremely large, especially in the case of CdGF and CaGF.
ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.3c01902