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

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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 ... continued below

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Blinn, Kevin; Choi, Yongman & Liu, Meilin August 11, 2009.

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Description

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.

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  • Report No.: None
  • Grant Number: FG26-06NT42735
  • DOI: 10.2172/984650 | External Link
  • Office of Scientific & Technical Information Report Number: 984650
  • Archival Resource Key: ark:/67531/metadc1013537

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Office of Scientific & Technical Information Technical Reports

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Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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  • August 11, 2009

Added to The UNT Digital Library

  • Oct. 14, 2017, 8:36 a.m.

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  • Oct. 19, 2017, 12:52 p.m.

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Blinn, Kevin; Choi, Yongman & Liu, Meilin. Characterization of Atomic and Electronic Structures of Electrochemically Active SOFC Cathode Surfaces, report, August 11, 2009; United States. (digital.library.unt.edu/ark:/67531/metadc1013537/: accessed April 23, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.