We report direct evidence for quintuplet spin states in a particular kind of reduced TiO2 anatase obtained by the mild oxidation of TiB2 under hydrothermal conditions. Continuous-wave and pulse EPR spectroscopy at X and Q band frequencies provide compelling evidence for the presence of S=2 states, stable in a wide range of temperatures up to room temperature. A tentative model, corroborated by spin-polarized DFT calculations, is proposed, which consists of four ferromagnetically interacting Ti3+ ions with distances ranging from 0.5 nm to 0.8 nm and tetrahedral arrangement.
Chiesa, M., Livraghi, S., Giamello, E., Albanese, E., Pacchioni, G. (2017). Ferromagnetic Interactions in Highly Stable, Partially Reduced TiO2: The S=2 State in Anatase. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 56(10), 2604-2607 [10.1002/anie.201610973].
Ferromagnetic Interactions in Highly Stable, Partially Reduced TiO2: The S=2 State in Anatase
ALBANESE, ELISAPenultimo
;PACCHIONI, GIANFRANCOUltimo
2017
Abstract
We report direct evidence for quintuplet spin states in a particular kind of reduced TiO2 anatase obtained by the mild oxidation of TiB2 under hydrothermal conditions. Continuous-wave and pulse EPR spectroscopy at X and Q band frequencies provide compelling evidence for the presence of S=2 states, stable in a wide range of temperatures up to room temperature. A tentative model, corroborated by spin-polarized DFT calculations, is proposed, which consists of four ferromagnetically interacting Ti3+ ions with distances ranging from 0.5 nm to 0.8 nm and tetrahedral arrangement.
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