Experimental and Theoretical Study on Transition Metal Ion Doped TiO2

Xue Chun Zhong; Zhan Chang Pan; Zhi Gang Wei; Shu Guang Xie; Zhen Jun Cheng; Chu Min Xiao

doi:10.4028/www.scientific.net/AMR.233-235.2219

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 233-235Experimental and Theoretical Study on Transition...

Experimental and Theoretical Study on Transition Metal Ion Doped TiO₂

Abstract:

In this paper, TiO₂ crystallines doped with transition metal ions have been prepared by sol-gel method. The UV-visible spectra indicated that the doping with transition metal ions (especially Cu²⁺, Mn²⁺ and Cr³⁺ ions) could effectively improve the absorption of TiO₂ crystals in the visible-light range. The XRD results showed that the doping does not affect the anatase phase of TiO₂. The band structure and the UV-vis absorption spectrum of Mn²⁺ ions doped-TiO₂ were also calculated by DFT (density function theory) method, which indicated that the doping with transition metal ion could make the band gap of TiO₂ smaller and a red shift in optical absorption.