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Roy G. GordonTheoretical
Chemistry
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Professor Roy Gordon and his group carry out theoretical research in a wide variety of fields, as well as experimental research in the growth of thin films for solar energy applications. The theoretical work includes quantum mechanics, scattering theory, chemical kinetics, statistical mechanics, applied mathematics, solid state, and surface chemistry. Quantum Mechanics. A simple, but accurate method was developed to calculate intermolecular forces (Ref. 1). More recent work has made systematic improvements in the accuracy of the method, as well as applications to many systems, such as weakly bound van der Waals molecules. Scattering Theory. Reactive collisions between any atom and diatomic molecule can now be analyzed easily into dynamic effects due solely to the atomic masses, separately from those of the potential surface (Ref.2). Solid State Chemistry. The structures and energies of complex crystals, particularly ionic (Ref. 3) and molecular (Ref. 4) types, can now be predicted by methods developed in Professor Gordon's group. Phase diagrams at high pressures and temperatures are now being predicted for many complex mineral structures, such as oxides and silicates. Surface Chemistry. The theory of crystal growth is being developed, with emphasis on chemical vapor deposition of thin films from the gas phase. Processes include reactions in the gas phase and on the growing surface, diffusion in the gas and on the surface, and adsorption and desorption from the surface. Materials for Solar Energy. These theories of thin film growth are being tested experimentally, and used to develop better chemical vapor deposition processes (Ref. 5). The films are useful in several areas of solar technology, such as thin film photovoltaic cells and heat mirrors for passive solar applications. Selected Publications 1. "Calculations of pressure-induced phase transitions in mantle minerals," D.J. Lacks and R.G. Gordon, Phys. Chem. Minerals, 22, 145 (1995). 2. "Crystal-structure calculations with distorted ions," D.J. Lacks and R.G. Gordon, Phys. Rev. B, 48, 2889 (1993). 3. "Kinetic modeling of the chemical vapor deposition of tin oxide from dimethyltin dichloride and oxygen," C.J. Giunta, D.A. Strickler, and R.G. Gordon, J. Phys. Chem., 97, 2275 (1993). 4. "Chemical vapor deposition of vanadium, niobium and tantalum thin films," R. Fix, R.G. Gordon, and D.M. Hoffman, Chemistry of Materials, 5, 614 (1993). 5. "Textured fluorine-doped zinc oxide films by atmospheric pressure chemical vapor deposition and their use in amorphous silicon solar cells," J. Hu and R.G. Gordon, Solar Cells, 30, 437 (1991). |
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Contact Marie
Purcell:
Phone: 496-5393, FAX: 495-4723 |
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