Methane steam reforming (MSR) is one of main reactions that occur on the Ni-based anode for the direct methane solid oxide fuel cells (SOFCs). MSR is our reaction of interest because the conversion of methane to syngas greatly affects the charge-transfer chemistry and consequently influences the SOFCs' performance. However, there are two significant issues facing MSR: (i) Coke formation; (ii) High temperatures of above 900 K. To address these issues, we are interested in the effect of an external electric field on this process. A large external electric field can rearrange the potential energy states of molecular orbitals, alter the adsorbate-surface interactions, and directly change the overall electrocatalytic activity of Ni-based catalysts.<br/><br/>Based on our density functional theory calculations: a positive external electric field can significantly (I) reduce the formation of coke (Fig. 1); (II) change the most favorable MSR reaction mechanism; (III) lower the energy requirements for the overall MSR (Fig.2). Our corresponding experimental investigations on Ni surface compositions during MSR under different applied field conditions verify these findings [1, 2]. Overall, this work greatly contributes to establishing insights into the thermodynamic and kinetic properties of field-induced heterogeneous reaction pathways.

Methane steam reforming: Using external electric fields to enhance the catalytic performance of Ni

255th National Meeting (2018)

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