G
Gianfranco Pacchioni
Researcher at University of Milan
Publications - 653
Citations - 35909
Gianfranco Pacchioni is an academic researcher from University of Milan. The author has contributed to research in topics: Density functional theory & Oxide. The author has an hindex of 91, co-authored 622 publications receiving 32262 citations. Previous affiliations of Gianfranco Pacchioni include Fritz Haber Institute of the Max Planck Society & Free University of Berlin.
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Characterization of paramagnetic species in N-doped TiO2 powders by EPR spectroscopy and DFT calculations.
TL;DR: Electron paramagnetic resonance, X-ray photoelectron spectroscopy, and density functional theory calculations are combined for the first time in an effort to characterize the paramagnetic species present in N-doped anatase TiO2 powders obtained by sol-gel synthesis.
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N-doped TiO2: Theory and experiment
Cristiana Di Valentin,Emanuele Finazzi,Gianfranco Pacchioni,Annabella Selloni,Stefano Livraghi,Maria Cristina Paganini,Elio Giamello +6 more
TL;DR: In this article, electron paramagnetic resonance (EPR) spectra were used to study the properties of N-atom impurities in TiO2 under irradiation with visible light and showed that the Nb centers are responsible for visible light absorption with promotion of electrons from the localized N-impurity states to the conduction band or to electron scavengers.
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Origin of photoactivity of nitrogen-doped titanium dioxide under visible light.
Stefano Livraghi,Maria Cristina Paganini,Elio Giamello,Annabella Selloni,Cristiana Di Valentin,Gianfranco Pacchioni +5 more
TL;DR: These results provide a characterization of the electronic states associated with N impurities in TiO2 and, for the first time, a picture of the processes occurring in the solid under irradiation with visible light.
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Theory of Carbon Doping of Titanium Dioxide
TL;DR: Using density functional theory (DFT) calculations within the generalized gradient corrected approximation, this article investigated various structural models of carbon impurities in both anatase and rutile polymorphs of TiO2 and analyzed the associated modifications of the electronic band structure.
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Reduced and n-Type Doped TiO2: Nature of Ti3+ Species
TL;DR: In this article, the properties of different types of defect states in reduced and n-type doped titania are investigated using density functional theory (DFT) in the local density approximation (LDA) or semilocal generalized gradient approximation (GGA).