Computational Screening of Piezoelectric Constants in Metal–Organic Frameworks: Design Principles and Ferroelectric-Like Bond Modulation

Q: What does this research mean for the field?

Metal-organic frameworks (MOFs) can be designed to exhibit ferroelectric-like bond modulation, enhancing their piezoelectric properties for energy harvesting applications. Novelty: ClaimNovelty.NOVEL_FINDING. Consensus alignment: ConsensusAlignment.NEUTRAL.

Srinidhi Mula; Chunyu Huang; Ferdinand C. Grozema; Monique A. Van Der Veen

doi:10.1039/d5ta09332e

January 1, 2026Journal of Materials Chemistry AOpen Access

Computational Screening of Piezoelectric Constants in Metal–Organic Frameworks: Design Principles and Ferroelectric-Like Bond Modulation

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Key Points

The aim is to explore and identify piezoelectric constants in metal-organic frameworks (MOFs) for energy harvesting applications.
Conducted computational screening of various MOFs for piezoelectric properties.
Analyzed bond modulation to assess ferroelectric-like behavior.
Evaluated the energy conversion efficiency of selected frameworks.
Identified several MOFs with significant piezoelectric constants.
Demonstrated that bond modulation enhances piezoelectric performance.
Highlighted potential applications in sustainable energy harvesting.

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Implication

Computational analysis identifies piezoelectric properties in metal-organic frameworks, suggesting new design principles for energy harvesting applications.

Abstract

Piezoelectric energy harvesting is a process in which energy in the form of kinetic movements can be harvested and converted into useful electrical energy using piezoelectric materials. Metal-organic frameworks (MOFs)...

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Mula et al. (2026) studied this question.

synapsesocial.com/papers/699fe35995ddcd3a253e7161 https://doi.org/10.1039/d5ta09332e

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Computational Screening of Piezoelectric Constants in Metal–Organic Frameworks: Design Principles and Ferroelectric-Like Bond Modulation

Key Points

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Abstract

Discussion

Cite This Study

Computational Screening of Piezoelectric Constants in Metal–Organic Frameworks: Design Principles and Ferroelectric-Like Bond Modulation

Key Points

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Implication

Abstract

Discussion

Cite This Study

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