Disclosing the true atomic structure of {001} facets in shape-engineered TiO<sub>2</sub> anatase nanoparticles
Stefano Pantaleone, Francesco Pellegrino, Valter Maurino, Marta Corno, Piero Ugliengo, Lorenzo Mino
Abstract
Combining IR spectroscopy and DFT modelling, we show that in shape-engineered TiO 2 anatase nanoparticles capping agents’ thermal removal leads to a reconstruction of {001} facets compatible with the “add-oxygen” and not with the “add-molecule” model.
Topics & Concepts
AnataseNanoparticleMaterials scienceMoleculeNanotechnologySpectroscopyOxygenChemical engineeringChemistryCatalysisPhotocatalysisPhysicsOrganic chemistryEngineeringQuantum mechanicsTiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesCopper-based nanomaterials and applications