Cargando…
A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania
We present a comparative density functional tight binding study of an organic molecule attachment to TiO(2) via a carboxylic group, with the example of acetic acid. For the first time, binding to low-energy surfaces of crystalline anatase (101), rutile (110) and (B)-TiO(2) (001), as well as to the s...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2015
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272741/ https://www.ncbi.nlm.nih.gov/pubmed/25690294 http://dx.doi.org/10.3390/molecules20023371 |