Computational Molecular Science and Engineering Forum | |||
| Session 599 - Modeling and Simulation of Fuel Cells and Organic-Semiconductor Systems | |||
| 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 | ||
| CoSponsor(s): | Electronics and Photonics Topical C: Fuel Cells and Alternative Fuel Systems | ||
| 599a | First Principles Studies of Electrochemical Rteactions at Solid Oxide Fuel Cell (Sofc) Anodes Joydeep Mukherjee, Suljo Linic | ||
| 599b | Ionic Dynamics of Low Temperature Solid Oxide Fuel Cell Electrolytes Chin-Hsien Cheng, Shu Feng Lee, Che-Wun Hong, Chien-Hsiung Lee | ||
| 599c | Computational Design of Hybrid Organic/Inorganic Molecular Systems for Electronic Applications Feng Qi, Murat Durandurdu, John Kieffer | ||
| 599d | A Combined Model to Study Conductive Properties of Polymers with Atomic Resolution Pedro A. Derosa, Kavitha Koraboina, Abdul Khaliq | ||
| 599e | Accurate Prediction of Electron Transport across Organic-Semiconductor Junctions Gang Zhang, Charles B. Musgrave | ||
| 599f | Self-Assembly of Organic Semiconductor Molecules: Experiments, Molecular Modeling and Simulation Lu Yang, Huisheng Peng, Yunfeng Lu, Hank Ashbaugh | ||
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