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Free energy of proton transfer at the water–TiO(2) interface from ab initio deep potential molecular dynamics
TiO(2) is a widely used photocatalyst in science and technology and its interface with water is important in fields ranging from geochemistry to biomedicine. Yet, it is still unclear whether water adsorbs in molecular or dissociated form on TiO(2) even for the case of well-defined crystalline surfac...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8157430/ https://www.ncbi.nlm.nih.gov/pubmed/34084393 http://dx.doi.org/10.1039/c9sc05116c |