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Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics
We present condensed-phase first-principles molecular dynamics simulations to elucidate the presence of different electron trapping sites in liquid methanol and their roles in the formation, electronic transitions, and relaxation of solvated electrons (e(met)(−)) in methanol. Excess electrons inject...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8966712/ https://www.ncbi.nlm.nih.gov/pubmed/35432888 http://dx.doi.org/10.1039/d1sc06666h |