Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide

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 a...

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Main Authors: Stefan Kucharski, Chris Blackman
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Chemosensors
Subjects:
Online Access:https://www.mdpi.com/2227-9040/9/9/270
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author Stefan Kucharski
Chris Blackman
author_facet Stefan Kucharski
Chris Blackman
author_sort Stefan Kucharski
collection DOAJ
description 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<sub>2</sub>, providing insight into future directions for materials design and optimisation. This article reviews the proposed models of adsorption and reaction of oxygen on SnO<sub>2</sub>, 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<sub>2</sub>, cross-interactions with H<sub>2</sub>O vapour, and NO<sub>2</sub> 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<sub>2</sub>.
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spelling doaj.art-c3891f08d9e34b4f92736cff6b7b321b2023-11-22T12:28:57ZengMDPI AGChemosensors2227-90402021-09-019927010.3390/chemosensors9090270Atomistic Descriptions of Gas-Surface Interactions on Tin DioxideStefan Kucharski0Chris Blackman1Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UKDepartment of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UKHistorically, 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<sub>2</sub>, providing insight into future directions for materials design and optimisation. This article reviews the proposed models of adsorption and reaction of oxygen on SnO<sub>2</sub>, 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<sub>2</sub>, cross-interactions with H<sub>2</sub>O vapour, and NO<sub>2</sub> 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<sub>2</sub>.https://www.mdpi.com/2227-9040/9/9/270SnO<sub>2</sub>sensormechanismoperandospectroscopyadsorbates
spellingShingle Stefan Kucharski
Chris Blackman
Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide
Chemosensors
SnO<sub>2</sub>
sensor
mechanism
operando
spectroscopy
adsorbates
title Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide
title_full Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide
title_fullStr Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide
title_full_unstemmed Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide
title_short Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide
title_sort atomistic descriptions of gas surface interactions on tin dioxide
topic SnO<sub>2</sub>
sensor
mechanism
operando
spectroscopy
adsorbates
url https://www.mdpi.com/2227-9040/9/9/270
work_keys_str_mv AT stefankucharski atomisticdescriptionsofgassurfaceinteractionsontindioxide
AT chrisblackman atomisticdescriptionsofgassurfaceinteractionsontindioxide