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The effect of strain on water dissociation on reduced rutile TiO(2)(110) surface
The effect of external uniaxial strain on water dissociation on a reduced rutile TiO(2)(110) surface has been theoretically studied using first-principles calculations. We find that when the tensile strain along [11̄0] is applied, the energy barrier of water dissociation substantially decreases with...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695215/ https://www.ncbi.nlm.nih.gov/pubmed/35423380 http://dx.doi.org/10.1039/d1ra00251a |