scholarly journals First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2

2012 ◽  
Vol 61 (16) ◽  
pp. 167103
Author(s):  
Li Cong ◽  
Hou Qing-Yu ◽  
Zhang Zhen-Duo ◽  
Zhao Chun-Wang ◽  
Zhang Bing
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
Electronic Structures ◽  
Anatase Tio2 ◽  
First Principles Study

First-principles study on the electronic structures and absorption spectra for Th4+: PbWO4 crystal

2005 ◽  
Vol 136 (9-10) ◽  
pp. 550-553
Author(s):  
Yi Zhijun ◽  
Liu Tingyu ◽  
Zhang Qiren ◽  
Sun Yuanyuan
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Study

Electronic structures of anatase (TiO2)1−x(TaON)x solid solutions: a first-principles study

2015 ◽  
Vol 17 (27) ◽  
pp. 17980-17988 ◽  
Author(s):  
Wenqiang Dang ◽  
Hungru Chen ◽  
Naoto Umezawa ◽  
Junying Zhang
Keyword(s):  
Crystal Structure ◽  
Solid Solutions ◽  
First Principles ◽  
Electronic Structures ◽  
Anatase Tio2 ◽  
Band Gaps ◽  
High Concentration ◽  
First Principles Study

Solid solutions (TiO2)1−x(TaON)x (0 ≤ x ≤ 1) within an anatase crystal structure have substantially narrower band gaps than pristine TiO2. Incorporation of high-concentration N by the strategy of introducing Ta along with N for the sake of carrier compensation is promising to overcome the difficulty in N-doped TiO2.

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