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Showing results 2 to 13 of 13 < previous 
Published DateTitleAuthor(s)
28-Dec-2009Density functional theory description of the mechanism of ferromagnetism in nitrogen-doped SnO2Long, RunEnglish, Niall J.
Jun-2010Density functional theory studies of doping in TitaniaLong, RunEnglish, Niall J.
8-Oct-2010Electronic properties of F/Zr co-doped anatase TiO2 photocatalysts from GGA + U calculationsLong, RunEnglish, Niall J.
19-Aug-2010Electronic structure and origin of visible-light activity of C-doped cubic In2O3 from first-principles calculationsLong, RunEnglish, Niall J.
15-Feb-2010Electronic structures of N- and C-doped NiO from first-principles calculationsLong, RunEnglish, Niall J.Mooney, Damian A.
20-Apr-2009Energetic and electronic properties of P Doping at the rutile TiO2 (110) Surface from First PrinciplesLong, RunEnglish, Niall J.
23-Aug-2010First-principles calculation of electronic structure of V-doped anatase TiO2Long, RunEnglish, Niall J.
2-Apr-2009First-principles calculation of nitrogen-tungsten codoping effects on the band structure of anatase-titaniaLong, RunEnglish, Niall J.
15-Sep-2009First-principles study of S doping at the rutile TiO2 (110) surfaceLong, RunEnglish, Niall J.Dai, Ying
22-Sep-2009Magnetic properties of first-row element-doped ZnS semiconductors : a density functional theory investigationLong, RunEnglish, Niall J.
20-Apr-2009Synergistic effects of Bi/S codoping on visible light-activated anatase TiO2 photocatalysts from first principlesLong, RunEnglish, Niall J.
12-Feb-2010Synergistic effects on band gap-narrowing in titania by codoping from first-principles calculationsLong, RunEnglish, Niall J.