Abstract
The sensitivity of zinc oxide nanoclusters to hydrogen molecules is discussed using transition state theory. Thermodynamic quantities of activation and reaction are calculated that includes Gibbs free energy, enthalpy, and entropy in the temperature range 25−500 °C. Results show that Gibbs free energy of activation that controls the reaction rate, and the values of response and recovery times increase with temperature. The oxygen recovery reaction rate is higher than the response reaction rate because of the low value of its activation energy. The response time is inversely proportional to the concentration of H2 molecules, while the recovery time increases with the concentration of H2 molecules due to diffusion. The variation of the sensitivity, response, and recovery times with the concentration of H2 molecules agree with available experimental results.
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