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