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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| 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 |