title: Laser induced C(60) cage opening studied by semiclassical dynamics simulation.
abstract: Laser induced opening of the C(60) cage is studied by a semiclassical electron-radiation-ion dynamics technique. The simulation results indicate that the C(60) cage is abruptly opened immediately after laser excitation. The opening of the C(60) cage induces a quick increase in kinetic energy and a sharp decrease in electronic energy, suggesting that the breaking of the C(60) cage efficiently heats up the cluster and enhances the thermal fragmentation of C(60) fullerene.
authors.affiliation: Institute of Computational Chemistry, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; E-Mails: tanghong@cqupt.edu.cn (H.T.); lihongjian699@gmail.com (H.L.).
authors.forename: Hong
authors.initials: H
authors.lastname: Tang
authors.forename: Hongjian
authors.initials: H
authors.lastname: Li
authors.forename: Yusheng
authors.initials: Y
authors.lastname: Dou
mesh_terms: D037741:Fullerenes / Q000737:chemistry*; D007834:Lasers; D056004:Molecular Dynamics Simulation
chemical_list: D037741:Fullerenes