Van der Waals energy surface of a carbon nanotube sheet |
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| Authors: | S. Motahari F. Shayeganfar M. Neek-Amal |
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| Affiliation: | 1. Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran 16785-136, Iran;2. Department of Physics, Sharif University of Technology, Tehran P.O. Box 1155-9161, Iran;1. PG & Research Department of Chemistry, Government Arts College, C-Mutlur, Chidambaram 608102, Tamil Nadu, India;2. Centre for Research and Development, PRIST University, Vallam, Tanjore 613403, Tamil Nadu, India;1. Department of Applied Chemistry, Aichi Institute of Technology, 1247 Yachigusa, Yakusa-cho, Toyota 470-0392, Japan;2. Department of Chemistry, Faculty of Science and Center of Excellence for Innovation in Analytical Science and Technology, Chiang Mai University, Chiang Mai 50200, Thailand;3. Department of Chemistry, Faculty of Science, Khon Kaen University, Khon Kaen 4002, Thailand;4. Graduate School of Natural Science and Technology, Okayama University, 3-1-1 Tsushimanaka, Okayama 700-8530, Japan;1. Department of Physics, Banaras Hindu University, Varanasi 221 005, India;2. Institut für Physikalische Chemie, Friedrich-Schiller-Universität, Helmholtzweg 4, Jena, Germany;1. Laboratório de Química Prebiótica, Departamento de Química-CCE, Universidade Estadual de Londrina, 86051 990, Londrina, PR, Brazil;2. Instituto Federal do Paraná, Campus Jacarezinho, 86400-000, Jacarezinho, PR, Brazil;3. Departamento de Física-CCE, Universidade Estadual de Londrina, 86051-990, Londrina, PR, Brazil;1. Functional Morphology and Biomechanics, Zoological Institute, Kiel University, Am Botanischen Garten 1–9, 24098 Kiel, Germany;2. Technische Universität Darmstadt, Fachbereich Chemie, Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Alarich-Weiss-Str. 12, 64287 Darmstadt, Germany |
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| Abstract: | The van der Walls interaction between a carbon nanotube sheet (CNTS) and a rare gas atom, is studied using both atomistic and continuum approaches. We present analytical expressions for the van der Waals energy of continuous nanotubes interacting with a rare gas atom. It is found that the continuum approach does not properly treat the effect of atomistic configurations on the energy surfaces. The energy barriers are small as compared to the thermal energy, which implies the free motion above the CNTS in heights about one nanometer. In contrast to the energy surface of a graphene sheet, the honeycomb lattice structure in the energy surface of a CNTS is imperceivable. Defects alter the energy surface which therefore influence the gas adsorption mechanism. |
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