Ar 原子内嵌对C<SUP>60</SUP> 富勒烯碰撞的影响

Ar 原子内嵌对C⁶⁰ 富勒烯碰撞的影响

摘要: 基于半经验势的分子动力学模型，研究了相同能量下 C₆₀ +C₆₀ 与 Ar@C₆₀ +Ar@C₆₀ 的对心碰撞后形成的富勒烯结构的不同。发现在相同的能量下， Ar@C60 +Ar@C60 形成的碰撞产物的结构相比 C₆₀ +C₆₀ 碰撞产物的结构有着明显的不同：前者形成“花生”状的新富勒烯结构，后者形成“哑铃”状的双富勒烯结构。

Abstract: A semiemperical molecular dynamics model was developed. The central collisions of C₆₀ +C₆₀ and Ar@C₆₀ +Ar@C₆₀ at the same incident energy were investigated within this model. The fullerene dimers could be formed by a selfassembly of C₆₀ fullerene， and the new fullerene structure like “peanut” could be formed by a selfassembly of Ar@C₆₀ . It was found that atom Ar had a great effect on the collision of Ar@C₆₀ +Ar@C₆₀ .