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...

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Detalles Bibliográficos
Autores principales: Nada, Hiroki, Kobayashi, Makoto, Kakihana, Masato
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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

Internet

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

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