Bandgap engineering of Magnéli phase TinO2n−1: Electron-hole self-compensation

• DOI: 10.1063/1.4928062
• Publication Date: 2015-08-07T17:00:25Z
• Authors: Mang Niu; Huaqiao Tan; Daojian Cheng; Zaicheng Sun; Dapeng Cao
• Keywords: Phase compensation

An electron-hole self-compensation effect is revealed and confirmed in nitrogen doped Magnéli phase TinO2n−1 (n = 7, 8, 9) by using hybrid density functional theory calculations. We found that the between free electrons holes induced p-type doping could not only prevent recombination of photo-generated pairs, but also lead to an effective bandgap reduction. This novel may provide a new approach for engineering metal suboxides.