화학공학소재연구정보센터
International Journal of Molecular Sciences, Vol.12, No.1, 353-361, 2011
Laser Induced C-60 Cage Opening Studied by Semiclassical Dynamics Simulation
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.