D6h C36 molecular dynamics simulations

Ke, Xuezhi; Zhu, ZY; Wang, F.; Zhang, F.S.; Wang, Z.X.

doi:10.1016/s0375-9601(99)00153-x

Cited by 11 publications

(2 citation statements)

References 24 publications

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“…The TLHT [15] model is similar to Tersoff [16] and Brenner [17] models which are suitable to simulate graphite as well as fullerene structures [18][19][20] . So we use it to describe the interactions between carbon atoms.…”

Section: Interaction Potential and Simulation Proceduresmentioning

confidence: 99%

Collision dynamics of He@C60+He@C60 at low energies

Zhao

Zhang

Zhou

2008

Sci. China Ser. G-Phys. Mech. Astron.

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A semi-empirical molecular dynamics model is developed. The central collisions of C 60 +C 60 and He@C 60 +He@C 60 at different incident energies are investigated based on this model. It is found that the dimer structures have been produced at proper incident energies and these fullerene dimers could be formed by a self-assembly of C 60 fullerene and He@C 60 . The He atom has a significant effect at higher incident energy and this embedded He atom can enhance the stability of the dimer structure.

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Section: Interaction Potential and Simulation Proceduresmentioning

confidence: 99%

Collision dynamics of He@C60+He@C60 at low energies

Zhao

Zhang

Zhou

2008

Sci. China Ser. G-Phys. Mech. Astron.

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“…Изучение эндоэдрального фуллерена La@C 36 [5] показало, что в этой молекуле фуллерен С 36 также обладает симметрией D 6h . Исследованию свойств фуллерена С 36 посвящено довольно много работ [6][7][8].…”

Section: Introductionunclassified

Энергетический Спектр И Оптические Свойства Фуллерена С-=sub=-36-=/Sub=- В Модели Хаббарда

Силантьев¹

2019

Журнал Технической Физики

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The anticommutator Green’s functions and the energy spectra of fullerene С_36 and endohedral fullerene La@C_36, with both of them belonging to the D _6 h symmetry group, are obtained analytically within the Hubbard model in the mean-field approximation. Using group-theory methods, their energy states are classified and allowed transitions in the energy spectra of the С_36 and La@C_36 molecules, both belonging to the D _6 h symmetry group, are determined.

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Energy window effect in chemisorption of C36 on diamond (001)-(2×1) surface

Pan

et al. 2001

Nuclear Instruments and Methods in Physics Research Section B:

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D6h C36 molecular dynamics simulations

Cited by 11 publications

References 24 publications

Collision dynamics of He@C60+He@C60 at low energies

Collision dynamics of He@C60+He@C60 at low energies

Энергетический Спектр И Оптические Свойства Фуллерена С-=sub=-36-=/Sub=- В Модели Хаббарда

Energy window effect in chemisorption of C36 on diamond (001)-(2×1) surface

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