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Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide

Kucharski, S; Blackman, C; (2021) Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide. Chemosensors , 9 (9) , Article 270. 10.3390/chemosensors9090270. Green open access

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Abstract

Historically, in gas sensing literature, the focus on “mechanisms” has been on oxygen species chemisorbed (ionosorbed) from the ambient atmosphere, but what these species actually represent and the location of the adsorption site on the surface of the solid are typically not well described. Recent advances in computational modelling and experimental surface science provide insights on the likely mechanism by which oxygen and other species interact with the surface of SnO_{2}, providing insight into future directions for materials design and optimisation. This article reviews the proposed models of adsorption and reaction of oxygen on SnO_{2}, including a summary of conventional evidence for oxygen ionosorption and recent operando spectroscopy studies of the atomistic interactions on the surface. The analysis is extended to include common target and interfering reducing gases, such as CO and H_{2}, cross-interactions with H_{2}O vapour, and NO_{2} as an example of an oxidising gas. We emphasise the importance of the surface oxygen vacancies as both the preferred adsorption site of many gases and in the self-doping mechanism of SnO_{2}.

Type: Article
Title: Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide
Open access status: An open access version is available from UCL Discovery
DOI: 10.3390/chemosensors9090270
Publisher version: https://doi.org/10.3390/chemosensors9090270
Language: English
Additional information: © 2021 MDPI. This is an open access article distributed under the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/).
Keywords: SnO_{2}; sensor; mechanism; operando; spectroscopy; adsorbates; vacancies
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10135864
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