10.1186/2193-8865-3-1

Simulation of SnO2/WO3 nanofilms for alcohol of gas sensor based on metal dioxides: MC and LD studies

Show Details XML HTML PDF
  • Leila Mahdavian*1,
  1. Department of Chemistry, Islamic Azad University, Doroud Branch, Doroud, IR
Cover Image

Published in Issue 06-12-2012

How to Cite

Mahdavian, L. (2012). Simulation of SnO2/WO3 nanofilms for alcohol of gas sensor based on metal dioxides: MC and LD studies. Journal of Nanostructure in Chemistry, 3(1 (December 2013). https://doi.org/10.1186/2193-8865-3-1
Crossref
Scopus
Google Scholar
Europe PMC

HTML views: 76

PDF views: 141

Abstract

Abstract This work presents a study of the adsorption properties of nanostructures. The moving gas technique was employed to determine the transient and steady-state response behavior of nanocrystalline gas sensors. SnO 2 sensors have shown high sensitivity to low concentrations of ethanol at moderate temperature. Tin dioxide is the most used material for gas sensing because its three-dimensional nanofilms and properties are related to the large surface exposed to gas adsorption. This study proposes the use of SnO 2 nanofilms in interaction with ethanol; we used different percentages of SnO 2 and WO 3 in the adsorption of ethanol by nanofilms. The total energy, potential energy, and kinetic energy were calculated for the interaction between nanofilms and ethanol at different concentrations and at 300 K. The calculations were achieved by Langevin dynamics and Monte Carlo simulation methods. The total energy decreased with additional tungsten percentage in the nanofilms and increased with additional number of ethanol molecules and interactions between them are endothermic.

Keywords

  • Metal dioxides,
  • Nanofilm,
  • SnO2/WO3,
  • Alcohol,
  • Langevin dynamics,
  • Monte Carlo simulation
HTML PDF

References

  1. Monajjemi et al. (2010) Thermodynamic & electronic study of enol↔keto tautomerism for alcohol sensors based on carbon nanotube (CNT) as chemical sensors 18(1) (pp. 45-55) https://doi.org/10.1080/15363830903291564
  2. Mahdavian et al. (2009) Sensor response to alcohol and chemical mechanism of carbon nanotube gas sensors 17(5) (pp. 484-495) https://doi.org/10.1080/15363830903130044
  3. Mahdavian (2011) Thermodynamic study of alcohol on SnO2 (100)-based gas nano-sensor 49(05) (pp. 626-638) https://doi.org/10.1080/00319104.2010.490918
  4. Paraguay-Delgado et al. (2004) (pp. 340-351) https://doi.org/10.1017/S1431927604883119
  5. Pavesi et al. (2000) Optical gain in silicon nanocrystals (pp. 440-448) https://doi.org/10.1038/35044012
  6. Comini et al. (2004) Electrical properties of tin oxide two-dimensional nanostructures (pp. 1882-1887) https://doi.org/10.1021/jp036693y
  7. Mahdavian (2011) Highly sensitive SnO2 (100) nano-crystal CH3OH/C2H5OH gas sensor operating at different temperatures: Monte Carlo studies 8(11) (pp. 2356-2361) https://doi.org/10.1166/jctn.2011.1968
  8. Batzill and Diebold (2005) The surface and materials science of tin oxide (pp. 47-154) https://doi.org/10.1016/j.progsurf.2005.09.002
  9. Hussain and Tajammul Hussain (2010) Optical and gas sensing studies of transparent ZnO thin film deposited from a new precursor by ultrasonic aerosol assisted chemical vapor deposition 1(2) (pp. 96-101) https://doi.org/10.5155/eurjchem.1.2.96-101.49
  10. Banaś et al. (2008) Kinetic investigation of the NO decomposition over V–O–W/Ti (Sn)O2 catalyst 137(2–4) (pp. 267-272)
  11. Tsiakaras (2007) PtM/C (M = Sn, Ru, Pd, W) based anode direct ethanol–PEMFCs: structural characteristics and cell performance 171(1) (pp. 107-112) https://doi.org/10.1016/j.jpowsour.2007.02.005
  12. Wang and Skeel (2003) Analysis of a few numerical integration methods for the Langevin equation 101(14) (pp. 2149-2156) https://doi.org/10.1080/0026897031000135825
  13. Batzill (2006) Surface science studies of gas sensing materials: SnO2 (pp. 1345-1366) https://doi.org/10.3390/s6101345
  14. Jun et al. (2011) Characteristics of a metal-loaded SnO2/WO3 thick film gas sensor for detecting acetaldehyde gas 32(6) (pp. 1865-1872) https://doi.org/10.5012/bkcs.2011.32.6.1865
  15. Carotta et al. (2008) (Ti,Sn)O2 binary solid solutions for gas sensing: spectroscopic, optical and transport properties 130(1) (pp. 38-45) https://doi.org/10.1016/j.snb.2007.07.112
  16. Skeel and Izaguirre (2002) An impulse integrator for Langevin dynamics (pp. 3885-3891) https://doi.org/10.1080/0026897021000018321
  17. YZh et al. (2009) Thermodynamic and critical properties of dilute XY magnets: Monte Carlo study 149(25–26) (pp. 1000-1003)
  18. Jr et al. (2009) Quantum Monte Carlo for atoms, molecules and solids 478(1–3) (pp. 1-10)
  19. Ripley (1987) Wiley https://doi.org/10.1002/9780470316726
  20. Strecker et al. ((2002)) Introducing Monte Carlo diffusion simulation into TCAD tools. In: Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
  21. Tian et al. (2007) Approach of technical decision-making by element flow analysis and Monte-Carlo simulation of municipal solid waste stream 19(5) (pp. 633-640) https://doi.org/10.1016/S1001-0742(07)60105-3
  22. Mahdavian and Monajjemi (2010) Alcohol sensors based on SWNT as chemical sensors: Monte Carlo and Langevin dynamics simulation 41(2–3) (pp. 142-149) https://doi.org/10.1016/j.mejo.2010.01.011
  23. Sun et al. (2011) Effects of deformability and thermal motion of lipid membrane on electroporation: by molecular dynamics simulations 404(2) (pp. 684-688) https://doi.org/10.1016/j.bbrc.2010.12.042