Scientists from Wuhan University of Technology have found that the visible-light absorption and photocatalytic activities of B-, C- and B/C-doped anatase TiO2 are not only influenced by the energy gaps and the distributions of energy states, but also by the locations of Fermi levels and the energies of the band gap edges. They also found that the stability of the doped TiO2 was dependant on its growth conditions.
Jiaguo Yu, Peng Zhou and Qin Li used density functional theory calculations to investigate the structures, formation energies and electronic properties of B-, C- and B/C-doped anatase TiO2. Their study provides insights into the design and synthesis of multi-doped TiO2 with desirable electronic properties, important in areas such as heterogeneous catalysis.
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New insight into the enhanced visible-light photocatalytic activities of B-, C- and B/C-doped anatase TiO2 by first-principles
Jiaguo Yu, Peng Zhou and Qin Li
DOI: 10.1039/C3CP44651D