Exploring carbon catenoids and their applications for encapsulation of carbon nanostructures
Carbon nanostructures of various shapes are among materials that have been extensively studied due to their unique chemical and physical properties. In this paper, we propose a new geometry of carbon nanostructures known as molecular carbon catenoid to compare with theoretical catenoid found from mi...
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| Veröffentlicht in: | PloS one 2024-09, Vol.19 (9), p.e0310740 |
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| creator | Sripaturad, Panyada Thamwattana, Ngamta Stevens, Kyle Baowan, Duangkamon |
| description | Carbon nanostructures of various shapes are among materials that have been extensively studied due to their unique chemical and physical properties. In this paper, we propose a new geometry of carbon nanostructures known as molecular carbon catenoid to compare with theoretical catenoid found from minimising the Willmore energy functional. Since applications of this structure include electron and molecular transport, this paper mathematically models the energetic behaviour of an atom and a spherical molecule entering a catenoid using the Lennard-Jones potential and a continuum approach. The suction energy is also obtained to determine the size of catenoid suitable for encapsulation of various structures. Results shown for theoretical catenoid using continuum modelling approach are found to be in good agreement with numerical simulations for molecular carbon catenoid. |
| doi_str_mv | 10.1371/journal.pone.0310740 |
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In this paper, we propose a new geometry of carbon nanostructures known as molecular carbon catenoid to compare with theoretical catenoid found from minimising the Willmore energy functional. Since applications of this structure include electron and molecular transport, this paper mathematically models the energetic behaviour of an atom and a spherical molecule entering a catenoid using the Lennard-Jones potential and a continuum approach. The suction energy is also obtained to determine the size of catenoid suitable for encapsulation of various structures. 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This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.</rights><rights>COPYRIGHT 2024 Public Library of Science</rights><rights>2024 Sripaturad et al. This is an open access article distributed under the terms of the Creative Commons Attribution License: http://creativecommons.org/licenses/by/4.0/ (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>2024 Sripaturad et al 2024 Sripaturad et al</rights><rights>2024 Sripaturad et al. This is an open access article distributed under the terms of the Creative Commons Attribution License: http://creativecommons.org/licenses/by/4.0/ (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. 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In this paper, we propose a new geometry of carbon nanostructures known as molecular carbon catenoid to compare with theoretical catenoid found from minimising the Willmore energy functional. Since applications of this structure include electron and molecular transport, this paper mathematically models the energetic behaviour of an atom and a spherical molecule entering a catenoid using the Lennard-Jones potential and a continuum approach. The suction energy is also obtained to determine the size of catenoid suitable for encapsulation of various structures. Results shown for theoretical catenoid using continuum modelling approach are found to be in good agreement with numerical simulations for molecular carbon catenoid.</abstract><cop>United States</cop><pub>Public Library of Science</pub><pmid>39325709</pmid><doi>10.1371/journal.pone.0310740</doi><tpages>e0310740</tpages><orcidid>https://orcid.org/0000-0001-9875-9899</orcidid><oa>free_for_read</oa></addata></record> |
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| subjects | Carbon Carbon - chemistry Chemical properties Continuum modeling Electronic equipment and supplies Encapsulation Energy Engineering and Technology Fullerenes Lennard-Jones potential Mathematical models Mechanical properties Medicine and Health Sciences Models, Molecular Molecular modelling Molecular structure Nanostructure Nanostructures - chemistry Nanotechnology Numerical analysis Numerical models Numerical simulations Physical properties Physical Sciences Plastic embedment Research and Analysis Methods Simulation Software packages Suction |
| title | Exploring carbon catenoids and their applications for encapsulation of carbon nanostructures |
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