Simulations of Xe@C60collisions with graphitic films
Autor: | John R. Sabin, Frank E. Harris, Victor V. Albert |
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Rok vydání: | 2008 |
Předmět: |
Fullerene
Graphene Noble gas chemistry.chemical_element Condensed Matter Physics Molecular physics Atomic and Molecular Physics and Optics law.invention chemistry.chemical_compound Molecular dynamics Buckminsterfullerene chemistry Computational chemistry law Graphite Physical and Theoretical Chemistry Carbon Quantum |
Zdroj: | International Journal of Quantum Chemistry. 108:3010-3015 |
ISSN: | 1097-461X 0020-7608 |
Popis: | Collisions between Xe@C60 and sheets of graphite of various dimensions were simulated. A Tersoff many-body potential modeled the interactions between carbon atoms and a Lennard-Jones potential simulated the xenon-carbon interactions. The simulations were compared to experiment and with simulations which implemented other potentials. The results indicate that a relatively small graphite film can be an accurate approximation for a nearly infinite sheet of graphite. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 |
Databáze: | OpenAIRE |
Externí odkaz: | |
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