Gionco Chiara, Paganini Maria C, Giamello Elio, Burgess Robertson, Di Valentin Cristiana, Pacchioni Gianfranco
†Dipartimento di Chimica, Università di Torino and NIS, Nanostructured Interfaces and Surfaces, Via P. Giuria 7, 10125 Torino, Italy.
‡Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi, 55, 20125, Milano, Italy.
J Phys Chem Lett. 2014 Feb 6;5(3):447-51. doi: 10.1021/jz402731s. Epub 2014 Jan 15.
The dispersion of small amounts of Ce(4+) ions in the bulk of ZrO2 leads to a photoactive material sensitive to visible light. This is shown by monitoring with EPR the formation and the reactivity of photogenerated (λ > 420 nm) charge carriers. The effect, as confirmed by DFT calculations, is due to the presence in the solid of empty 4f Ce states at the mid gap, which act as intermediate levels in a double excitation mechanism. This solid can be considered an example of a third-generation photoactive material.
少量Ce(4+)离子在ZrO2主体中的分散导致了一种对可见光敏感的光活性材料。通过电子顺磁共振(EPR)监测光生(λ > 420 nm)电荷载流子的形成和反应性,证实了这一点。正如密度泛函理论(DFT)计算所证实的那样,这种效应是由于固体中在禁带中部存在空的4f Ce态,这些态在双激发机制中充当中间能级。这种固体可以被视为第三代光活性材料的一个例子。