Al- and Ga-Doped TiO2, ZrO2, and HfO2: The Nature of O 2p Trapped Holes from a Combined Electron Paramagnetic Resonance (EPR) and Density Functional Theory (DFT) Study

The nature of hole centers in a series of MeO2 (TiO2, ZrO2, HfO2) metal oxides doped with trivalent Al or Ga ions has been investigated coupling the classic continuous wave electron paramagnetic resonance (CW-EPR) technique with advanced density functional theory (DFT) calculations. The insertion of...

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Veröffentlicht in:Chemistry of materials 2015-06
Hauptverfasser: Gionco, Chiara, Livraghi, Stefano, Maurelli, Sara, Giamello, Elio, Tosoni, Sergio, Di Valentin, Cristiana, Pacchioni, Gianfranco
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Sprache:eng
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