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The Case of Formic Acid on Anatase TiO2(101): Where is the Acid Proton?
Cover graphics by Andrea Stangoni
for the Communication
The case of formic acid on (101) anatase TiO2: where is the acid proton? Angew. Chem. Int. Ed. 2019, 58, 12431.
By:
Gloria Tabacchi, Marco Fabbiani, Lorenzo Mino, Gianmario Martra, Ettore Fois
https://onlinelibrary-wiley-com.insubria.idm.oclc.org/share/VFX9MNFPM4XNQRYBWSPJ?target=10.1002/anie.201906709
Short summary:
https://link.growkudos.com/1l0q0u5e8lc
Submitted author version:
https://figshare.com/articles/The_case_of_formic_acid_on_101_anatase_TiO2_where_is_the_acid_proton_/9206555
https://figshare.com/articles/The_case_of_formic_acid_on_101_anatase_TiO2_where_is_the_acid_proton_/9206555
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- Theoretical quantum chemistry
- Transition metal chemistry
- Theoretical and computational chemistry not elsewhere classified
- Physical chemistry not elsewhere classified
- Physical properties of materials
- Other chemical sciences not elsewhere classified
- Computational chemistry
- Colloid and surface chemistry
- Condensed matter modelling and density functional theory
- Structural properties of condensed matter
- Surface properties of condensed matter
Keywords
titanium dioxideformic acidDensity Functional calculationszero point energymodeling and simulationcomputational modelsfirst principles molecular dynamicsinterfacessurface chemistryvibrational spectroscopynuclear quantum effectstransition metal oxidesQuantum ChemistryTransition Metal ChemistryTheoretical and Computational Chemistry not elsewhere classifiedPhysical Chemistry not elsewhere classifiedPhysical Chemistry of MaterialsChemical Sciences not elsewhere classifiedComputational ChemistryColloid and Surface ChemistryCondensed Matter Modelling and Density Functional TheorySurfaces and Structural Properties of Condensed Matter
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