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Water dissociation at the water–rutile TiO(2)(110) interface from ab initio-based deep neural network simulations
The interaction of water with TiO(2) surfaces is of crucial importance in various scientific fields and applications, from photocatalysis for hydrogen production and the photooxidation of organic pollutants to self-cleaning surfaces and bio-medical devices. In particular, the equilibrium fraction of...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
National Academy of Sciences
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9926290/ https://www.ncbi.nlm.nih.gov/pubmed/36598953 http://dx.doi.org/10.1073/pnas.2212250120 |