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Author(s): Lopez N (Lopez, N.)1, Prades JD (Daniel Prades, J.)2,3, Hernandez-Ramirez F (HernandezRamirez, F.)2,3, Morante JR (Morante, J. R.)2,3, Pan J (Pan, J.)4, Mathur S (Mathur, S.)4 Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2406 Published: 2010 Times Cited: 0 References: 38 Citation Map Volume: 12 Issue: 10 Pages: 2401-

Abstract: Metal oxides present oxygen defects that induce different chemical and physical properties. Experiments performed in SnO2-x sensors show that the dynamics of these vacancies are strongly affected by the presence of different gases in the environment. Experimentally, the electrical resistance of individual metal oxide SnO2-x nanowires shows modulation: when the environment is oxygen rich long term drifts (hours) are observed indicating extended vacancy dynamics. Instead, if CO is present, drifts disappear in minutes. Density functional theory indicates that changes in resistance follow the extension of reoxidation. For oxygen-poor environments, oxygen vacancy excorporation and healing are confined to the near-surface layer of SnO2-x (bidimensional or near-surface diffusion), and completed in short times. Under oxygen-rich conditions, tridimensional diffusion of oxygen vacancies towards the surface takes place at room temperature. In this case, a push-pull mechanism allows bulk-to-surface diffusion and as a consequence resistance drifts are longer and the vacancy quenching is more extensive. Document Type: Article Language: English KeyWords Plus: DENSITY-FUNCTIONAL THEORY; TIN OXIDE; NANOWIRES; ADSORPTION; SURFACE; METAL; STATE; CATALYSIS; SNO2(110); POINTS Reprint Address: Lopez, N (reprint author), ICIQ, Inst Chem Res Catalonia, Av Paisos Catalans 16, Tarragona 43007, Spain Addresses: 1. ICIQ, Inst Chem Res Catalonia, Tarragona 43007, Spain 2. Catalonia Inst Energy Res, IREC, Barcelona 08019, Spain 3. Univ Barcelona, Fac Phys, Dept Elect, E-08028 Barcelona, Spain 4. Univ Cologne, Dept Inorgan Chem, D-5000 Cologne 41, Germany E-mail Addresses: nlopez@iciq.es Funding Acknowledgement: