Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations
Abstract Water adsorption and dissociation processes on pristine low-index TiO2 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 va...
Gardado en:
| Principais autores: | , , , , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Nature Portfolio
2023-10-01
|
| Series: | Nature Communications |
| Acceso en liña: | https://doi.org/10.1038/s41467-023-41865-8 |
| Tags: |
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|