Far East Journal of Electronics and Communications
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Abstract: Alcohol
dehydrogenation and condensation reactions are involved in chain growth pathways
on These pathways lead to the formation
of acetaldehyde and other products with high selectivity. It is recognized that
together with atmospheric oxygen the presence of humidity greatly influences the
gas detection. Accordingly, it is important to understand the role of alcohol
vapor in the sensing mechanism. The goal of this work is to improve the
detection of surface species of thick film gas sensors under their
working conditions using computer calculation, and to correlate the sensor
signals with the relative changes of the electric resistance Interaction between
alcohol molecules and is investigated using B3LYP method
by DFT. We study the structural, total energy, thermodynamic properties of
absorption of and on in room temperature. When exposed to
ethanol, the
-based sensors showed oxidation products consisting of acetaldehyde and ethyl
acetate. All the calculations were carried out using Gaussian program package.
Density Functional Theory (DFT) calculations interact between them. The results
show a sensitivity enhancement in resistance and capacitance when ethanol is
near the surface so converted different products.
Keywords and phrases: (100) nano-crystalline,
electric resistance, ethanol sensor, DFT.
