Sensing of Methanol and Ethanol with Nano-Structured SnO2 (110) in Gas Phase: Monte Carlo Simulation

Abstract

The SnO₂ films deposited from inorganic precursors via sol–gel dip coating method have been found to be highly sensitive to methanol and ethanol vapor. Three dimensional nano-structure materials have attracted the attention of many researches because the possibility to apply them for near future devices in sensors, catalysis and energy related. The sensitivity and selectivity of SnO₂ (110) nano-structure is calculated in interaction with different concentrations (25 wt. %, 50wt. % and 75 wt. %) of methanol and ethanol vapor. The energy of this interaction is investigated in different distances CH₃OH and C₂H₅OH vapor related to SnO₂ (110). The calculations achieved by methods of Monte Carlo simulation in different temperatures. All the calculations were carried out using Hyperchem 7.0 package of program. The total energy increased with addition blends of alcohol molecules and temperature so the interactions between them are endothermic. The excellent sensitivity and selectivity of SnO₂ is at 443K for blend of 75 wt.% them in 7 Å distances.