Adsorption of Zn2+ on the (110) Surface of TiO2 (Rutile): A Density Functional Molecular Dynamics Study
作者： A. V. Bandura , J. O. Sofo , J. D. Kubicki
DOI: 10.1021/JP200432P
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摘要: Adsorption of Zn 2+ at the rutile TiO 2 (110)-aqueous interface was studied with Born–Oppenheimer molecular dynamics at 300 K. Simulations were carried out using the periodically …
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