4.3.2 Assessment and modeling of NH3SnO2 interactions using individual nanowire sensors

Event
14th International Meeting on Chemical Sensors - IMCS 2012
2012-05-20 - 2012-05-23
Nürnberg/Nuremberg, Germany
Chapter
4.3 Metal Oxide-based Gas Sensors IV
Author(s)
F. Shao, F. Hernandez-Ramirez, J. Morante - Catalonia Institute for Energy Research, IREC (Spain), J. Prades - University of Barcelona, UB (Spain), T. Fischer, S. Mathur - Institute of Inorganic Chemistry, University of Cologne (Spain), N. Lopez - Institute of Chemical Research of Catalonia (Spain)
Pages
363 - 366
DOI
10.5162/IMCS2012/4.3.2
ISBN
978-3-9813484-2-2
Price
free

Abstract

In this work, DFT (density functional theory) calculations were applied to study the interaction between NH3 and the SnO2 surface. To that end, two types of scenarios were selected; (i) the clean stoichiometric SnO2 (110) surface and (ii) a SnO2 (110) surface with pre-adsorbed O(ads). The NH3 adsorption mechanism and charge transfer to the metal oxide after the adsorption and dissociation steps of the molecule were simulated to gain a deeper insight into the NH3 sensing mechanism of this metal oxide. Making use of the intrinsic advantages of nanoscale prototypes, the analysis of the nanowires’ resistance modulation upon exposure to NH3 and their dynamic response, as function of temperature and gas concentration, allowed validating some of the theoretical results.

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