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Highly Sensitive SnO2 (100) Nano-Crystal CH3OH/C2H5OH Gas Sensor Operating at Different Temperatures: Monte Carlo Studies

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Among semiconductor oxide gas sensors, tin oxide (SnO2) is a well known n-type semi conducting oxide that has been widely used for the detection of a wide spectrum of oxidizing and reducing gases in an operating temperature range of 298–443 K. The sensitivity and selectivity of this film is tested to different reducing and oxidizing gases such as methanol and ethanol with different concentrations (25 wt%, 50 wt% and 75 wt%) and is excellent selectivity for CH3OH/C2H5OH gas at a low operating temperature of 443 K. The structural and morphological properties this interaction is investigated in different distances CH3OH and C2H5OH vapor related to SnO2 (100). The calculations achieved by methods of Monte Carlo simulation in different temperatures. All the calculations were carried out using HyperChem 7.0 program package. 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 443 K for blend of 75 wt% them in 7 Å distances.
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Keywords: ACCEPTANCE RATIO (ACCR); METHANOL AND ETHANOL; MONTE CARLO SIMULATION; RMS GRADIENT; TIN DIOXIDE [SNO2 (100)]

Document Type: Research Article

Publication date: November 1, 2011

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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