Abstract
Laser induced opening of the C60 cage is studied by a semiclassical electron-radiation-ion dynamics technique. The simulation results indicate that the C60 cage is abruptly opened immediately after laser excitation. The opening of the C60 cage induces a quick increase in kinetic energy and a sharp decrease in electronic energy, suggesting that the breaking of the C60 cage efficiently heats up the cluster and enhances the thermal fragmentation of C60 fullerene.
Highlights
IntroductionIt has a closed cage structure, which consists of 32 faces of which 20 are hexagon and 12 are pentagon
We report a semiclassical electron-radiation-ion dynamics (SERID) simulation study on the fragmentation of an isolated C60 irradiated by a 40 fs laser pulse
The simulation shows that C60 undergoes an abrupt opening following laser excitation
Summary
It has a closed cage structure, which consists of 32 faces of which 20 are hexagon and 12 are pentagon. Each carbon atom in C60 is bonded to three others through sp hybridization. With this unique structure, C60 exhibits an extremely fast response upon laser excitation [1,2,3] and has become a model system for studying the electronic and nuclear dynamics induced by ultrafast laser pulses [4,5].
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