科研之友
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摘要
Using Molecular Mechanics and Molecular Dynamics methods, we investigated at the atomistic level the topography effects both on physisorption on different crystalline planes of TiO2 anatase and on the competitive adsorption when three different crystallo-graphic faces were simultaneously present in an idealized nanosized crystal interacting with a simple heteroaromatic molecule experimentally used in sunlight-induced photosynthetic reaction.
- 出版日期2013
