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  1. Article

    Open Access

    Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations

    Water adsorption and dissociation processes on pristine low-index TiO2 interfaces are important but poorly understood outside the well-studied anatase (101) and rutile (110). To understand these, we construct thr...

    Zezhu Zeng, Felix Wodaczek, Keyang Liu, Frederick Stein… in Nature Communications (2023)

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