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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Abstract
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.
| Type: | Article |
|---|---|
| Title: | Dissociation of O-2 on the reduced SnO2 (110) surface |
| DOI: | 10.1039/b002039g |
| Publisher version: | http://dx.doi.org/10.1039/b002039g |
| 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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