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Anisotropy in Stable Conformations of Hydroxylate Ions between the {001} and {110} Planes of TiO(2) Rutile Crystals for Glycolate, Lactate, and 2-Hydroxybutyrate Ions Studied by Metadynamics Method
[Image: see text] Control over TiO(2) rutile crystal growth and morphology using additives is essential for the development of functional materials. Computer simulation studies on the thermodynamically stable conformations of additives at the surfaces of rutile crystals contribute to understanding t...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648721/ https://www.ncbi.nlm.nih.gov/pubmed/31460199 http://dx.doi.org/10.1021/acsomega.9b01100 |