The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field
Abstract The interaction of gas phase endohedral fullerene Ho3N@C80 with intense (0.1–5 × 1014 W/cm2), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C80 q+, q = 1–2, was found to be different from that of C60. Time-dependent density functional theory computati...
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Nature Portfolio
2017
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oai:doaj.org-article:25260089c5214c788c7b21704af33d0c2021-12-02T15:18:52ZThe Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field10.1038/s41598-017-00124-92045-2322https://doaj.org/article/25260089c5214c788c7b21704af33d0c2017-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-00124-9https://doaj.org/toc/2045-2322Abstract The interaction of gas phase endohedral fullerene Ho3N@C80 with intense (0.1–5 × 1014 W/cm2), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C80 q+, q = 1–2, was found to be different from that of C60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C60, in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C80 is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 × 1014 W/cm2.Hui XiongBenoit MignoletLi FangTimur OsipovThomas J. A. WolfEmily SistrunkMarkus GührFrancoise RemacleNora BerrahNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017) |
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DOAJ |
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Medicine R Science Q |
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Medicine R Science Q Hui Xiong Benoit Mignolet Li Fang Timur Osipov Thomas J. A. Wolf Emily Sistrunk Markus Gühr Francoise Remacle Nora Berrah The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field |
| description |
Abstract The interaction of gas phase endohedral fullerene Ho3N@C80 with intense (0.1–5 × 1014 W/cm2), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C80 q+, q = 1–2, was found to be different from that of C60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C60, in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C80 is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 × 1014 W/cm2. |
| format |
article |
| author |
Hui Xiong Benoit Mignolet Li Fang Timur Osipov Thomas J. A. Wolf Emily Sistrunk Markus Gühr Francoise Remacle Nora Berrah |
| author_facet |
Hui Xiong Benoit Mignolet Li Fang Timur Osipov Thomas J. A. Wolf Emily Sistrunk Markus Gühr Francoise Remacle Nora Berrah |
| author_sort |
Hui Xiong |
| title |
The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field |
| title_short |
The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field |
| title_full |
The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field |
| title_fullStr |
The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field |
| title_full_unstemmed |
The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field |
| title_sort |
role of super-atom molecular orbitals in doped fullerenes in a femtosecond intense laser field |
| publisher |
Nature Portfolio |
| publishDate |
2017 |
| url |
https://doaj.org/article/25260089c5214c788c7b21704af33d0c |
| work_keys_str_mv |
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| _version_ |
1718387436429508608 |