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The case of formic acid on anatase TiO2(101): where is the acid proton?

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posted on 2019-08-08, 11:34 authored by gloria tabacchigloria tabacchi
Movie showing the fast proton shuttling between adsorbed formic acid and a surface oxygen atom of the anatase (101) TiO2 surface. This process occurs at room temperature at the femtosecond time scale.
By:
Gloria Tabacchi Marco Fabbiani Lorenzo Mino Gianmario Martra Ettore Fois

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https://onlinelibrary-wiley-com.insubria.idm.oclc.org/share/W72SDYPYXFGJIXAT9QUF?target=10.1002/anie.201906709

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Uninsubria FAR2017

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    formic acidsurface chemistryQuantum DelocalizationZero Point EnergyVibrational Spectroscopycomputational modelsmodeling and simulationsFirst principles molecular dynamicsdensity functional calculations#compchemtitanium DioxideTiO2IRRASanatase TiO 2Computational ChemistryColloid and Surface ChemistryChemical Sciences not elsewhere classifiedTheoretical and Computational Chemistry not elsewhere classifiedQuantum ChemistryPhysical Chemistry of Materials

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