C60在石墨烯和氮化硼表面扩散运动的比较
Comparison of Diffusive Motion of C60 on Graphene and Boron Nitride Surfaces
摘要：
受宏观载体的启发，人们已经合成了许多分子机器。由于表面原子操作的重要性，纳米汽车特别令人感兴趣。纳米车轮在它们的运动中起着至关重要的作用。C60分子是纳米车轮的一个热门候选者。此外，由于纳米粒子在二维衬底上的运动会形成波纹，因此研究纳米粒子在二维衬底上的运动也是非常重要的。因此，在这项工作中，我们研究了在300 K的石墨烯和氮化硼单层衬底上的C60的运动。模拟采用分子动力学方法。当富勒烯在石墨烯表面上移动时，运动轨迹显示出更大的位移范围，因此，在这种情况下，它具有更大的扩散系数。结果表明，在300 K时，C_（60）在石墨烯和氮化硼上的运动遵循相同的超扩散机制，但反常参数不同。
英文摘要：
Inspired by macroscale vehicles, many molecular machines have been synthesized yet. Due to the importance of atomic manipulation at the surface, nanocars are of particular interest. Nanocar wheels play a crucial role in their motion. One of the popular candidate for using as a nanocar wheel is C60 molecule. In addition, the investigation of nanocar motion on two dimensional substrates is important due to formation of ripples on surface. Therefore, in this work we study the motion of C60 on graphene and boron nitride monolayer substrates at 300 K. The simulations are conducted by the means of molecular dynamics method. The trajectory of motion shows more displacement range when fullerene is moving on the graphene surface and as a result, it has a greater diffusion coefficient in this case. It has been showed that C60 motion on graphene and boron nitride obey a same super-diffusion regime at 300 K with different anomaly parameters.
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