MNDO theoretical study of ethanol decomposition process on SnO2 surfaces

An MNDO study has been carried out to analyze the decomposition process of the ethanol molecule on a SnO2 surface. A (SnO2)(7) (110) model has been selected to represent the surface. The decomposition process has been monitored by selection of a hydrogen-alpha-carbon distance of the ethanol molecule as reaction coordinate, This minimum energy pro file shows a maximum of 186 kJ mol(-1), and in the transition state there is a transfer of hydrogen-alpha-carbon to the SnO2 surface. There is also the interaction between the alcohol hydroxyls and the two oxygens of the oxide.

Sensitivity of SnO2 non-ohmic behavior to the sintering process and to the addition of La2O3

The work reported here consisted of a study of the sensitivity of the nonlinear electrical properties of dense SnO2. CoO ceramic systems to low concentrations of La2O3, sintering temperature and cooling rates. The nonlinear electrical properties of these systems were found to increase with decreasing cooling rates, a behavior attributed to the CoO solid state reactions at temperatures below 1000 degreesC. Post-annealing treatment in N-2-rich atmospheres strongly decreases the non-ohmic behavior of SnO2. CoO ceramic systems. However, this behavior may be restored through thermal treatment in an O-2-rich atmosphere. (C) 2001 Elsevier B.V. Ltd. All rights reserved.