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Updated: Jan 20, 2026

Visible-light Induced Reduction of Graphene Oxide Using Plasmonic Nanoparticle
Published on: September 22, 2015
Anionic Dopant Delocalization through p-Band Modulation to Endow Metal Oxides with Enhanced Visible-Light
Xianyin Song1, Dong He1, Wenqing Li1
1Department of Physics and Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, Hubei Nuclear Solid Physics Key Laboratory, Wuhan University, Wuhan, 430072, P. R. China.
Abstract:
An N-doped TiO2 model reveals a conceptually different mechanism for activating the N dopant based on delocalized orbital hybridization through O vacancy incorporation. Synchrotron-based X-ray absorption spectroscopy, time-resolved fluorescence, and DFT studies revealed that O vacancy incorporation can effectively stimulate the delocalization of N impurity states through p-band orbital modulation, which leads to a significant enhancement in photocarrier lifetime. Consequently, this effect also results in a remarkable increase in the incident photon-to-electron conversion efficiency in the range of 400-550 nm compared to that of conventional N-incorporated TiO2 (15 % versus 1 % at 450 nm). This work reveals the fundamental necessity of orbital modulation in the band engineering of metal oxides for driving solar water splitting and beyond.
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Band Theory
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...