Density Functional Theory Studies of Tetrathiafulvalene Compounds and Their Redox Isomers

<p id="p1">We performed density functional theory (DFT) calculations to analyze the geometrical and electronic properties of eight differently substituted tetrathiafulvalene (TTF) units (some with two Se heteroatoms) with 0, +1 and&nbsp;+2 charges. We demonstrate that, by minor deformations from pla...

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Detalles Bibliográficos

Autores principales:	Midoune, Assia, Messaoudi, Abdelatif
Formato:	Capítulo de libro
Lenguaje:	inglés
Publicado:	IntechOpen 2024
Materias:	Physical Sciences, Engineering and Technology
Acceso en línea:	https://www.intechopen.com/chapters/1154777
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