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Molecular Mechanism of the Piezoelectric Response in the β-Phase PVDF Crystals Interpreted by Periodic Boundary Conditions DFT Calculations

A theoretical approach based on Periodic Boundary Conditions (PBC) and a Linear Combination of Atomic Orbitals (LCAO) in the framework of the density functional theory (DFT) is used to investigate the molecular mechanism that rules the piezoelectric behavior of poly(vinylidene fluoride) (PVDF) polym...

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Detalles Bibliográficos
Autores principales:	Serra, Gianluca, Arrigoni, Alessia, Del Zoppo, Mirella, Castiglioni, Chiara, Tommasini, Matteo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10488459/ https://www.ncbi.nlm.nih.gov/pubmed/37687698 http://dx.doi.org/10.3390/ma16176004

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