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Mechanistic insight on water dissociation on pristine low-index TiO(2) surfaces from machine learning molecular dynamics simulations
Water adsorption and dissociation processes on pristine low-index TiO(2) interfaces are important but poorly understood outside the well-studied anatase (101) and rutile (110). To understand these, we construct three sets of machine learning potentials that are simultaneously applicable to various T...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10545769/ https://www.ncbi.nlm.nih.gov/pubmed/37783698 http://dx.doi.org/10.1038/s41467-023-41865-8 |