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Potential energy calculations for argon and methane adsorbed on MgO(001) substrate
Affiliation:1. Sinop University, Faculty of Arts and Sciences, Physics department, Sinop, Turkey;2. Ondokuz Mayıs University, Blacksea Advanced Technology Research and Application Center, Samsun, Turkey;3. Giresun University, Faculty of Engineering, Department of Industrial Engineering, Giresun, Turkey;4. Food Engineering Department, Faculty of Engineering, Ondokuz Mayıs University, Samsun, Turkey;5. Ondokuz Mayıs University, Faculty of Arts and Sciences, Physics department, Samsun, Turkey;1. Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA;2. California Institute of Technology, Pasadena, CA 91125, USA
Abstract:A semi-empirical potential model is used to calculate the interaction energy of a rare gas atom or a methane molecule adsorbed on a MgO substrate with square symmetry. The potential surfaces are drawn and compared with the results obtained on the hexagonal (0001) face of graphite. MgO appears as a corrugated surface for both argon and methane whereas graphite is a nearly perfect planar surface. The calculated holding and corrugation energies are in agreement with experimental data.
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