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A dual-carrier adsorbate-modulated surface conductance model better captures the thermal dependence of conductance in TiO2 and MoO3 powders than an inter-grain hopping model
Journal article   Peer reviewed

A dual-carrier adsorbate-modulated surface conductance model better captures the thermal dependence of conductance in TiO2 and MoO3 powders than an inter-grain hopping model

Karl Sohlberg
Reaction kinetics, mechanisms and catalysis, v 131(1), pp 19-35
2020
DOI: https://doi.org/10.1007/s11144-020-01833-5

Abstract

Article Catalysis Chemistry Chemistry and Materials Science Industrial Chemistry/Chemical Engineering Physical Chemistry
Non-Arrhenius thermal dependence of surface conductance has previously been observed in the transition-metal oxides TiO 2 and MoO 3 . Through the application of thermochemical modeling, kinetic modeling, and analysis of equivalent resistance networks, it is shown that a dual-charge-carrier model in which the adsorbate surface coverage is modulated by bi-Langmuir adsorption is better able to capture the thermal dependence of surface conductance in these materials than a model based on the hypothesis that conductance is governed by bottlenecks to charge hopping between grains. Adsorption energies predicted by the dual-charge-carrier model are in agreement with estimates of the same from published first-principles calculations. Particle-size dependence of the conductance likely arises from the increasing importance of surface processes to charge transport with decreasing particle size, not from an increase in the number of inter-particle contacts.

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