DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO 2 surface
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DOI: 10.1016/j.apsusc.2017.07.161
Abstract: The adsorption on anatase (101) TiO 2 surface of two model amines, diaminoethane (DAE) and propylamine (PPA), was investigated using Density Functional Theory-Dispersion included (DFT-D) calculations. The investigated coverage is ranging from 0.25 monolayer to… read more here.
Keywords: adsorption; 101 tio; tio surface; surface ... See more keywords