Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption

[Image: see text] The interaction of water molecules and hydroxyl groups with titanium dioxide (TiO(2)) surfaces is ubiquitous and very important in anatase nanoparticle photocatalytic processes. Infrared spectroscopy, assisted by ab initio calculations of vibrational frequencies, can be a powerful...

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Detalles Bibliográficos
Autores principales: Cazzaniga, Marco, Micciarelli, Marco, Gabas, Fabio, Finocchi, Fabio, Ceotto, Michele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9340806/
https://www.ncbi.nlm.nih.gov/pubmed/35928238
http://dx.doi.org/10.1021/acs.jpcc.2c02137

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9340806/
https://www.ncbi.nlm.nih.gov/pubmed/35928238
http://dx.doi.org/10.1021/acs.jpcc.2c02137

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