N,F-monodoping and N/F-codoping effects on the electronic structures and optical performances of Zn sub(2)GeO sub(4)

First-principles density-functional calculation has been performed to investigate the synergistic effects of N and F doping on the photocatalytic properties of Zn sub(2)GeO sub(4). Our results indicate that the presence of F facilitates the introduction of N by reducing the formation energy signific...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2015-02, Vol.17 (8), p.5613-5623
Hauptverfasser:	Li, Yulu, Ding, Kaining, Cheng, Beisi, Zhang, Yongfan, Lu, Yunpeng
Format:	Artikel
Sprache:	eng
Schlagworte:	Band spectra Electronic structure Energy of formation Formations Mathematical analysis Photocatalysis Physical chemistry Strategy Synergistic effect
Online-Zugang:	Volltext
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