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LEI LI1,* , WENSHI LI1, JIAN-FENG YANG1, LING-FENG MAO1,*
- Institute of Intelligent Structure and System, School of Electronics & Information Engineering, Soochow University, Suzhou 215006, P.R. China
Metal-dopants have been wildly considered as the effective strategy to improve the visible-light absorption in defective rutile TiO2. It’s necessary to understand the role of metal-substitution in TiO2 bulk on the visible-light absorption of titanium dioxide. Cu-substitutions have been addressed to illustrate the detailed relationship between their location and visible-light absorption by ab initio calculations. The effective of applied electric field on the structure of titanium dioxide has also been studied in detail. The results show that the visible-light absorption of titanium dioxide will be determined by both Cu-substitution and applied electric field..
Visible-light absorption; Titanium dioxide; Cu-substitutions; Ab initio calculations.
Submitted at: May 11, 2016
Accepted at: Feb. 12, 2018
LEI LI, WENSHI LI, JIAN-FENG YANG, LING-FENG MAO, The impact of the location of Cu substitutions and electric field on visible light absorption in defective titanium dioxide: ab initio calculations, Journal of Optoelectronics and Advanced Materials Vol. 20, Iss. 1-2, pp. 56-60 (2018)
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