Photocatalytic activity and the radiative lifetimes of excitons via an ab initio approach

This work presents the radiative lifetimes of photogenerated electron-hole (e-h) pairs in bulk anatase and rutile TiO 2 calculated by solving the Bethe-Salpeter equation (BSE) at the G 0 W 0 [F. Fuchs, J. Furthmüller, F. Bechstedt, M. Shishkin and G. Kresse, Phys. Rev. B: Condens. Matter Mater. Phys...

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Veröffentlicht in:	Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2018, Vol.6 (31), p.1527-1532
Hauptverfasser:	Hu, Linping, Xu, Chao, Peng, Liang, Gu, Feng Long, Yang, Weitao
Format:	Artikel
Sprache:	eng
Schlagworte:	Accuracy Anatase Approximation Band structure Band structure of solids Bethe-Salpeter equation Catalytic activity Dependence Energy gap Excitons Mathematical analysis Optical activity Optoelectronics Photocatalysis Photonics Radiative lifetime Rutile Titanium dioxide
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