Structural Modification of TiO2 Surfaces in Bulk Water and Binding Motifs of a Functionalized C60 on TiO2 Anatase and Rutile Surfaces in Vacuo and in Water: Molecular Dynamics Studies

Alexey L. Kaledin, Tianquan Lian, Craig L. Hill and Djamaladdin G. Musaev

The Journal of Physical Chemistry C

DOI: 10.1021/jp307211h

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