Cage opening and fragmentation of C60 fullerene induced by an ultrashort laser pulse

被引：3
作者：
Tang, Hong [1 ]
Li, Hongjian [1 ]
Dou, Yusheng [1 ,2 ]
Fang, Weihai [3 ]
机构：
[1] Chongqing Univ Posts & Telecommun, Inst Computat Chem, Chongqing 400065, Peoples R China
[2] Nicholls State Univ, Dept Phys Sci, Thibodaux, LA 70310 USA
[3] Beijing Normal Univ, Dept Chem, Beijing 100875, Peoples R China
来源：
MOLECULAR SIMULATION | 2010年 / 36卷 / 12期
基金：
中国国家自然科学基金;
关键词：
fullerene; semiclassical; dynamics simulation; ultrashort laser; NONTHERMAL FRAGMENTATION; COMPLEX MATERIALS; DYNAMICS; SIMULATIONS; C60; IONIZATION; C70;
D O I：
10.1080/08927022.2010.498827
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Response of C-60 fullerene to a 40 fs full-width at half-maximum laser pulse with a photon energy of 2.0 eV and different laser intensities is studied by semiclassical dynamics simulation technique. The simulation results show that soon after the irradiation with a strong laser pulse, many C-C bonds abruptly break but no fragments are produced. The breaking of multiple C-C bonds induces a quick increase in the kinetic energy and potential energy and a decrease in electronic energy. These results suggest that the opening of the C-60 cage is an effective channel for the conversion of electronic energy to kinetic energy for the electronically excited C-60 fullerene.
引用
收藏
页码：986 / 991
页数：6
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