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Issue 19, 2009
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Chemoresistive sensing of light alkanes with SnO2 nanocrystals: a DFT-based insight

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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.

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

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Publication details

The article was received on 27 Nov 2008, accepted on 18 Mar 2009 and first published on 03 Apr 2009


Article type: Paper
DOI: 10.1039/B820665A
Citation: 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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