Output details
15 - General Engineering
University of Bolton
Red Shift in Manganese- and Iron-Doped TiO2: A DFT+UAnalysis
IF 4.805. 41 journal citations.
First theoretical discovery of effective intermediate bands within the forbidden gap of TiO2 due to 3d doping. Predictions were experimentally realised [Acta Materialia 60(2012), p1974], and led to quick discovery of p-type doped TiO2 with remarkable photo-catalysts for environmental cleaning [e.g. Materials Letters 65(2011), p2051, 24 cites; Materials Research Bulletin 46(2011), p442], and has enabled homo-junction pn diodes that are key to solar cells and other photonic devices with 3 patents filed.
Methodology developed also enables discovery of new transparent conducting oxides (TCO) to substitute the depleting indium resources.