Computational screening of piezoelectric constants in metal–organic frameworks: design principles and ferroelectric-like bond modulation

Journal of Materials Chemistry A 2026 Open access

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Authors: Srinidhi Mula, Chunyu Huang, Ferdinand C. Grozema, Monique A. Van Der Veen
DOI: 10.1039/d5ta09332e
Cited by: 2
References: 59

Abstract

This study computes the piezoeletric tensor e of metal–organic frameworks (MOFs) using DFPT, analyzes structure–property relationships for high- e MOFs, and evaluates their mechanical properties and piezoelectric constants d .

Fields of Study & Subjects

Metal-Organic Frameworks: Synthesis and Applications Advanced Sensor and Energy Harvesting Materials Ferroelectric and Piezoelectric Materials

Publication details

Journal / source
Journal of Materials Chemistry A
Publisher
Royal Society of Chemistry (RSC)
Volume
14
Issue
23
Pages
14311–14323
Publication date
1 January 2026
Language
EN