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.
Royal Society of Chemistry
1 Jan 2009
Volume: 11 Issue: 19 Pages: 3634-3639
Physical Chemistry Chemical Physics