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Water dissociation and association on mirror twin boundaries in two-dimensional MoSe(2): insights from density functional theory calculations
The adsorption and dissociation of water molecules on two-dimensional transition metal dichalcogenides (TMDs) is expected to be dominated by point defects, such as vacancies, and edges. At the same time, the role of grain boundaries, and particularly, mirror twinboundaries (MTBs), whose concentratio...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9419107/ https://www.ncbi.nlm.nih.gov/pubmed/36132369 http://dx.doi.org/10.1039/d1na00429h |