Water structure, dynamics and reactivity on a TiO2-nanoparticle surface: new insights from ab initio molecular dynamics.
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DOI: 10.1039/d2nr02354g
Abstract: Water structure, dynamics and reactivity at the surface of a small TiO2-nanoparticle fully immersed in water was investigated by an ab initio molecular dynamics simulation. Several modes of water binding were identified by assigning each… read more here.
Keywords: tio2 nanoparticle; water; water structure; structure dynamics ... See more keywords