Citation: LI Guo-Xia, YANG Xu, HAI Li-Si, CHAI Zhan-Li, WANG Xiao-Jing. Tuning of NaTaO₃ Band Structure through Mn²⁺ Ion Doping and the Enhanced Visible Light Response[J]. Chinese Journal of Structural Chemistry, ;2014, 33(5): 771-778. shu

Tuning of NaTaO₃ Band Structure through Mn²⁺ Ion Doping and the Enhanced Visible Light Response

1.
School of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot, Inner Mongolia 010021, China

Corresponding author: WANG Xiao-Jing,
Received Date: 17 October 2013
Available Online: 20 November 2013
Fund Project:

Pure and Mn-doped NaTaO₃ nanoparticles were synthesized by a simple hydrothermal method. XRD and XPS results suggested that manganese ions were successfully doped into the NaTaO₃ crystalline in Mn²⁺ state. UV-vis diffuse reflectance spectra revealed the obvious red-shift in the series of manganese doped NaTaO₃ nanoparticles, resulting in a decrease in the band gap of NaTaO₃ with the increase of Mn²⁺ doping concentration. The photo-degradation experiment indicated that manganese doped NaTaO₃ showed good photocatalytic performance and methylene blue (MB) degradation is improved with lower doping concentration of manganese ions under visible light. The simulation of energy band structure by density functional theory unfolded that the substitution of Ta⁵⁺ ions by Mn²⁺ ions resulted in an intermediate band (IB) below the bottom of the conduction band (CB), which was mainly attributed to the state of Mn 3d.
- manganese doped NaTaO₃,
- hydrothermal method,
- photocatalyst,
- density functional theory
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