The Case of Formic Acid on Anatase TiO<sub>2</sub> (101): Where is the Acid Proton?

Tabacchi, Gloria; Fabbiani, Marco; Mino, Lorenzo; Martra, Gianmario; Fois, Ettore

The Case of Formic Acid on Anatase TiO₂ (101): Where is the Acid Proton?

Tabacchi, Gloria; Fabbiani, Marco; Mino, Lorenzo; Martra, Gianmario; Fois, Ettore.

Afiliación

Tabacchi G; Department of Science and High Technology, University of Insubria and INSTM, via Valleggio 9, I-22100, Como, Italy.
Fabbiani M; Department of Chemistry and Nanostructured Interfaces and Surfaces NIS interdepartmental centre, University of Torino, via P. Giuria 7, I-10125, Torino, Italy.
Mino L; Department of Chemistry and Nanostructured Interfaces and Surfaces NIS interdepartmental centre, University of Torino, via P. Giuria 7, I-10125, Torino, Italy.
Martra G; Department of Chemistry and Nanostructured Interfaces and Surfaces NIS interdepartmental centre, University of Torino, via P. Giuria 7, I-10125, Torino, Italy.
Fois E; Department of Science and High Technology, University of Insubria and INSTM, via Valleggio 9, I-22100, Como, Italy.

Angew Chem Int Ed Engl ; 58(36): 12431-12434, 2019 Sep 02.

Article en En | MEDLINE | ID: mdl-31310450

Palabras clave

density functional calculations; molecular dynamics; surface chemistry; vibrational spectroscopy; zero-point energy

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Año: 2019 Tipo del documento: Article País de afiliación: Italia