Diffusion and reaction pathways of water near fully hydrated TiO 2 surfaces from ab initio molecular dynamics

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Authors: Lorenzo Agosta, Erik G. Brandt, Alexander P. Lyubartsev

Journal title: The Journal of Chemical Physics

Journal number: 147/2

Journal publisher: American Institute of Physics

Published year: 2017

Published pages: 024704

DOI identifier: 10.1063/1.4991381

ISSN: 0021-9606