Co-Chairs: P. B. Balbuena and T. Osaka
| Time | Abs# | Title |
|---|
| 08:00 | 1981 |
Theoretical Model for Predicting Potentials for upd H and OH(ads) Formation on Platinum in Base - Y. Cai (Case Western Reserve University) and A. Anderson (Case Western Reserve Universoty) |
| 08:20 | 1982 |
Theoretical Investigations of the Solid Oxide Fuel Cell Anode - A. Marquez, Y. De Abreu, and G. Botte (Oiho University) |
| 08:40 | 1983 |
DFT Study of the Mechanism of Water Activation and CO Oxidation on Bimetallic Pt-M Nanoparticle Catalysts for Fuel Cell Applications - Y. Ishikawa, A. Perez, and M. Vilkas (University of Puerto Rico) |
| 09:00 | 1984 |
Computational studies of the electronic and atomic structure of passivation layers on transition metals - J.W. Halley (University of Minnesota) |
| 09:20 | 1985 |
CO Poisoning of the H/Pt(111) Reaction - L. Blum (University of Puerto Rico) |
| 09:40 | |
Twenty-Minute Intermission |
| 10:00 | 1986 |
The mechanism of oxygen electroreduction on Pt(111) - P. Balbuena, Y. Wang, and S. Calvo (Texas A&M University) |
| 10:20 | 1987 |
Computational studies of face-to-face porphyrin catalyzed reduction of dioxygen - R. Muller and D. Ingersoll (Sandia National Laboratories) |
| 10:40 | 1988 |
Ab initio Electrochemistry of Water on (111) Electrodes - C. Taylor, S. Wasileski, M. Neurock, and R. Kelly (University of Virginia) |
| 11:00 | 1989 |
Ab-initio Investigation of the Pathway and Energetics of Electrocatalytic Methanol Oxidation over Platinum(111) - S. Wasileski, M. Neurock (Department of Chemical Engineering, University of Virginia), D. Cao, and A. Wieckowski (Department of Chemistry, University of Illinois) |
| 11:20 | 1990 |
Quantum Chemical Analysis on Cermet Anodes for Solid Oxide Fuel Cells - M. Koyama, H. Tsuboi, M. Kubo, and A. Miyamoto (Tohoku University) |
Co-Chairs: J.M. Seminario and T. Osaka
| Time | Abs# | Title |
|---|
| 14:00 | 1991 |
Kinetic Monte Carlo Study of the Effect of Lateral Diffusion on Adlayer Structure during Electrodeposition - P.A. Rikvold, S. Frank, and D.E. Roberts (Florida State University) |
| 14:20 | 1992 |
Ab Initio Studies of the Photoinduced Electron Transfer from Molecular Donors to the TiO_2 Acceptor - O. Prezhdo (University of Washington) |
| 14:40 | 1993 |
Theoretical analysis of molecules and clusters attached to bulk conducting, semiconducting and insulating materials - J. Seminario (Texas A&M University) |
| 15:00 | 1994 |
Computational Study on Fullerenes as Proton Conducting Materials - K. Tasaki (MC Research & Innovation Center) |
| 15:20 | 1995 |
Dynamic Protonation and Deprotonation Reactions in Glycine - S. Rempe and K. Leung (Sandia National Laboratories) |
| 15:40 | 1996 |
Investigation of Lithium-corannulene Complex via Ab Initio Calculations as Molecular System for Hydrogen Storage - L. Scanlon (Air Force Research Laboratory) and G. Sandi (Argonne National Laboratory) |
| 16:00 | 1997 |
Disorder and Dynamics in Bulk and Nanostructured Superionics - A. Gray-Weale, G. Tribello, and P. Madden (Physical & Theoretical Chemistry Lab, University of Oxford,) |
| 16:20 | 1998 |
Quantum Chemical Studies of Li Ion Hopping Mechanisms in Polymer Electrolytes - P.C. Refern, T. Kupka, and L.A. Curtiss (Argonne National Labs) |
| 16:40 | 1999 |
A Quantitative Structure-Activity Relationship (QSAR) study to describe Electronic Nose Sensor Response - A. Shevade, A. Ryan, M. Homer, A. Manfreda, H. Zhou, B. Lin, A. Kisor, and K. Manatt (Jet Propulsion Laboratory) |
| 17:00 | 2000 |
Theoretical Investigation of the Electro-oxidation of Ammonia - A. Marquez, F. Vitse, and G. Botte (Ohio University) |
Co-Chairs: T. Osaka and P. Balbuena
| Time | Abs# | Title |
|---|
| o | 2001 |
Quantum Chemical Calculations of Cobalt@Phthalocyanines: Electrocatalysis for the O_2 Reduction - T. Imase, Z. Dun, M. El-Deab (Tokyo Institute of Technology), M. Hashimoto, T. Sotomura (Matsushita Electric Ind. Co. Ltd.), and T. Ohsaka (Tokyo Institute of Technology) |
| o | 2002 |
Energetics of Lithium Ion Diffusion in Defective Carbon Nanotube - K. Nishidate, M. Baba, S. Komaba, Y. Nihe, and M. Hasegawa (Faculty of Engineering, IWATE University) |
| o | 2003 |
Theoretical Studies of Optical Properties of Carbon-doped Titanium Oxides - H. Kamisaka, T. Adachi, and K. Yamashita (Department of Chemical System Engineering, School of Engineering, The University of Tokyo) |
| o | 2004 |
A transport-based one-dimensional mechanistic model of uniform CO2 corrosion of carbon steel - S. Nesic and K.-L.J. Lee (Institute for Corrosion and Multiphase Flow Technology, Ohio University) |
| o | 2005 |
Elucidation of CO Adsorption Sites on Pt-Ru Alloy Electrodes using in situ X-ray Absorption Spectroscopy - F. Scott, D. Ramaker (The George Washington University), V. Murthi, and S. Mukerjee (Northeastern University) |
| o | 2006 |
Simulation of Electrocodeposition - J. Lee and J. Talbot (University of California, San Diego) |
| o | 2007 |
Application of Electrochemical Impedance Spectroscopy to a study of CO2/H2S corrosion of mild steel - K.-L.J. Lee, S. Parakala, and S. Nesic (Institute for Corrosion and Multiphase Flow Technology, Ohio University) |