Chemoresistive sensing of light alkanes with SnO2 nanocrystals: a DFT-based insight

Mauro Epifani; J. Daniel Prades; Elisabetta Comini; Albert Cirera; Pietro Siciliano; Guido Faglia; Joan R. Morante

doi:10.1039/B820665A

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Chemoresistive sensing of light alkanes with SnO₂ nanocrystals: a DFT-based insight†

Mauro Epifani,*^a J. Daniel Prades,‡^b Elisabetta Comini,^c Albert Cirera,^b Pietro Siciliano,^a Guido Faglia^c and Joan R. Morante^bd

Author affiliations

* Corresponding authors

^a Consiglio Nazionale delle Ricerche–Istituto per la Microeletronica ed I Microsistemi (CNR-IMM), via Monteroni c/o Campus Universitario, Lecce, Italy
E-mail: mauro.epifani@le.imm.cnr.it

^b EME/XaRMAE/IN2UB, Departament d’Electrònica, Universitat de Barcelona, C.\ Martí i Franquès 1, Barcelona, Spain

^c CNR-INFM and Dip. Chimica e Fisica per l’Ingegneria e i Materiali, SENSOR, Università di Brescia, via Valotti 9, Brescia, Italy

^d Institut de Recerca en Energia de Catalunya (IREC) C/Josep Pla 2, B3, Ground Floor, Barcelona, Spain

Abstract

Density functional theory (DFT) modelling of the alkane–SnO₂ surface interaction correctly predicts the results of the chemoresistive alkane sensing tests, provided that the highly reduced nature of the SnO₂ nanocrystal surface is properly inserted in the model.

This article is part of the themed collection: Chemistry and physics of metal oxide nanostructures

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Supplementary files

Further calibration data at 400 °C and for ethane at alltemperatures PDF (44K)

Article information

DOI: https://doi.org/10.1039/B820665A
Article type: Paper
Submitted: 27 Nov 2008
Accepted: 18 Mar 2009
First published: 03 Apr 2009

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Phys. Chem. Chem. Phys., 2009,11, 3634-3639

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Chemoresistive sensing of light alkanes with SnO₂ nanocrystals: a DFT-based insight

M. Epifani, J. Daniel Prades, E. Comini, A. Cirera, P. Siciliano, G. Faglia and J. R. Morante, Phys. Chem. Chem. Phys., 2009, 11, 3634 DOI: 10.1039/B820665A

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