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...

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Detalles Bibliográficos
Autores principales: Zeng, Zezhu, Wodaczek, Felix, Liu, Keyang, Stein, Frederick, Hutter, Jürg, Chen, Ji, Cheng, Bingqing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
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

Internet

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

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