Slater, B and Catlow, CRA and Williams, DE and Stoneham, AM (2000) Dissociation of O-2 on the reduced SnO2 (110) surface. CHEM COMMUN (14) 1235 - 1236. 10.1039/b002039g.
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We report evidence from plane-wave (PW) pseudo-potential calculations, which suggests that neutral, molecular oxygen dissociates exothermically at bridging oxygen vacancies on the SnO2 (110) surface, supporting recent experimental data.
|Title:||Dissociation of O-2 on the reduced SnO2 (110) surface|
|Keywords:||TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, SIMULATION, METALS, TIO2|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry|
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
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