Fusion reaction dynamics of fullerene molecules

Systematic molecular dynamics simulations based on the self-consistent charge density functional tight-binding method have been performed for the molecular collisions inside clusters of fullerene molecules, after prompt atom knockouts by the keV ions. The thermodynamic and kinetic stabilities, as we...

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Detalhes bibliográficos
Autores: Wang, Yang, Gatchell, Michael, Zettergren, Henning, Rousseau, Patrick, Chen, Tao, Stockett, Mark H., Domaracka, Alicja, Adoui, Lamri, Huber, Bernd A., Cederquist, Henrik, Alcamí Pertejo, Manuel, Martín García, Fernando
Formato: artículo
Fecha de publicación:2015
País:España
Recursos:Universidad Autónoma de Madrid
Repositorio:Biblos-e Archivo. Repositorio Institucional de la UAM
Idioma:inglés
OAI Identifier:oai:repositorio.uam.es:10486/672421
Acesso em linha:http://hdl.handle.net/10486/672421
https://dx.doi.org/10.1088/1742-6596/635/3/032093
Access Level:acceso abierto
Palavra-chave:Atoms
Charge density
Condensed matter physics
Fullerenes
Química
Descrição
Resumo:Systematic molecular dynamics simulations based on the self-consistent charge density functional tight-binding method have been performed for the molecular collisions inside clusters of fullerene molecules, after prompt atom knockouts by the keV ions. The thermodynamic and kinetic stabilities, as well as the bonding features, have been investigated for the most stable dumbbell dimers C+118, C+119 and C+120

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