The Contribution of Density Functional Theory to the Atomistic Knowledge of Electrochromic Processes

In this review, we provide a brief overview of the contribution that computational studies can offer to the elucidation of the electronic mechanisms responsible for the electrochromism phenomenon, through the use of the density functional theory (DFT) and its time-dependent formulation (TDDFT). Alth...

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Detalles Bibliográficos
Autores principales: De Simone, Bruna Clara, Alberto, Marta Erminia, Marino, Tiziana, Russo, Nino, Toscano, Marirosa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8510163/
https://www.ncbi.nlm.nih.gov/pubmed/34641338
http://dx.doi.org/10.3390/molecules26195793

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8510163/
https://www.ncbi.nlm.nih.gov/pubmed/34641338
http://dx.doi.org/10.3390/molecules26195793

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