C_(60)离子撞击固体表面的坍塌和沉积(Ⅲ)——量子化学从头算研究
Collapsed Deposition of Accelerated C 60 Beam on Solid SurFaces(Ⅲ) ab initio Calculation of Quantum Chemistry
Abstract
C60因其构型的特殊性由12个五边形和20个六边形构成的具有IH对称性的球体,并且每个C原子所处环境的相同性都位于2个六边形和1个五边形的顶点,因而具有特殊的结构稳定性.在以往激光或碰撞实验中,C60相当稳定,具有很高的解离能.我们用自制的串级飞行时... C 60 molecule was absorbed on the Au(Ⅲ) surFace and studied by ab initio calculations.It may be Formed plane shaped molecule C 45 or C 48 , and plane shaped C 60 ( C 5v ) or hill shape C 60 ( C 6v ), iF added more carbon atoms.