Thursday, November 16, 2006: 3:15 PM-5:45 PM
Union Square 3 & 4 (Hilton San Francisco)
#599 - Modeling and Simulation of Fuel Cells and Organic-Semiconductor Systems (21008)
Papers are sought that model and/or simulate the properties or processing of organic semiconductor materials. Any lengthscale of computational representation is acceptable, from ab initio to continuum. Studies of the acenes, thiophenes and other organic semiconductor molecules are of interest. Papers that involve comparisons between computation and experimental approaches are particularly welcome.
Chair:Perla B. Balbuena
CoChair:Charles B. Musgrave
3:15 PM599aFirst Principles Studies of Electrochemical Rteactions at Solid Oxide Fuel Cell (Sofc) Anodes
Joydeep Mukherjee, Suljo Linic
3:40 PM599bIonic Dynamics of Low Temperature Solid Oxide Fuel Cell Electrolytes
Chin-Hsien Cheng, Shu Feng Lee, Che-Wun Hong, Chien-Hsiung Lee
4:05 PM599cComputational Design of Hybrid Organic/Inorganic Molecular Systems for Electronic Applications
Feng Qi, Murat Durandurdu, John Kieffer
4:30 PM599dA Combined Model to Study Conductive Properties of Polymers with Atomic Resolution
Pedro A. Derosa, Kavitha Koraboina, Abdul Khaliq
4:55 PM599eAccurate Prediction of Electron Transport across Organic-Semiconductor Junctions
Gang Zhang, Charles B. Musgrave
5:20 PM599fSelf-Assembly of Organic Semiconductor Molecules: Experiments, Molecular Modeling and Simulation
Lu Yang, Huisheng Peng, Yunfeng Lu, Hank Ashbaugh

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