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Synergistic effect of Cu and Fe co doping anatase TiO 2 on the electronic and optical properties

CAIHUA HU1, PENG TANG2, ZUOLIANG SHA2, LIBIN YANG2,* , YUEXIANG HUANG3, XIAOLONG LI2, XU YANG2, HUIHUI LI2, YUXIANG ZHU2

Affiliation

  1. China National Academy of Nanotechnology & Engineering Tianjin 300457, China
  2. Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science & Technology, Tianjin 300457, China
  3. College of Ma terials Science and Engineering, China Jiliang University, Hangzhou 310018, China

Abstract

The crystal structures optimizing , electronic and optical properties of pure, Cu or/and Fe doped anatase TiO 2 are studied by the method of the density functional theory (DFT) plane wave ultrasoft pseudopotential in Materials Studio 5.5 The results suggested that t he synergistic effect of Cu and Fe codoped anatase can facilitate the charge carrier mobility and reduce the undesired recombination, leading to enhanced photocatalytic activity..

Keywords

Synergistic effect, Cu/Fe codoping, Anatase TiO2, Electronic properties, Optical properties.

Citation

CAIHUA HU, PENG TANG, ZUOLIANG SHA, LIBIN YANG, YUEXIANG HUANG, XIAOLONG LI, XU YANG, HUIHUI LI, YUXIANG ZHU, Synergistic effect of Cu and Fe co doping anatase TiO 2 on the electronic and optical properties, Optoelectronics and Advanced Materials - Rapid Communications, 8, 9-10, September-October 2014, pp.904-908 (2014).

Submitted at: May 7, 2014

Accepted at: Sept. 11, 2014