Chemistry Department Seminar

"Understanding gas-electrode interactions in solid oxide fuel cells using quantum chemical calculations"

Presented by YongMan Choi, Georgia Institute of Technology

Monday, March 24, 2008, 1:30 pm — Room 300, Bldg.

Solid oxide fuel cells (SOFCs) have become more attractive owing to their highly efficient power generation, versatile applications, fuel flexibility, and low emissions. One of the most crucial technical challenges in SOFCs is to design novel electrode materials that tolerate low concentrations of sulfur-containing species such as H2S and operate efficiently below 700 oC. Most of mechanistic details cannot be directly measured experimentally due to the complexity of gas-surface interactions. Therefore, it is imperative to understand the detailed mechanisms for H2S decomposition and oxygen reduction on the anode and cathode surfaces, respectively, at the molecular level in order to achieve the goal. In this presentation, some recent progress in elucidation of the reaction mechanisms by means of quantum chemical calculations will be highlighted.

Hosted by: Ping Liu

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