Characterization of Atomic and Electronic Structures of Electrochemically Active SOFC Cathode Surfaces

Kevin Blinn ; Yongman Choi ; Meilin Liu

关键词: ADSORPTION;    CATHODES;    ELECTRONIC STRUCTURE;    OXYGEN;    RAMAN SPECTROSCOPY;    REACTION KINETICS;    SOLID OXIDE FUEL CELLS;    SPECTROSCOPY;   

DOI  :  10.2172/984650
RP-ID  :  None
PID  :  OSTI ID: 984650
Others  :  TRN: US201016%%1549

学科分类：能源（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

The objective of this project is to gain a fundamental understanding of the oxygen-reduction mechanism on mixed conducting cathode materials by means of quantum-chemical calculations coupled with direct experimental measurements, such as vibrational spectroscopy. We have made progress in the elucidation of the mechanisms of oxygen reduction of perovkite-type cathode materials for SOFCs using these quantum chemical calculations. We established computational framework for predicting properties such as oxygen diffusivity and reaction rate constants for adsorption, incorporation, and TPB reactions, and formulated predictions for LSM- and LSC-based cathode materials. We have also further developed Raman spectroscopy as well as SERS as a characterization tool for SOFC cathode materials. Raman spectroscopy was used to detect chemical changes in the cathode from operation conditions, and SERS was used to probe for pertinent adsorbed species in oxygen reduction. However, much work on the subject of unraveling oxygen reduction for SOFC cathodes remains to be done.