论文标题
分散$ C_3 $用于用石墨烯和碳纳米管的重离子和原子物理的系数
Dispersion $C_3$ coefficients for physisorption of heavy ions and atoms with graphene and carbon nanotubes
论文作者
论文摘要
在目前的工作中，已经对重元素（Zn $^+$，CD $^+$，HG $^+$，PB $^+$，PB $^+$，Zn，CD，CD，HG和PB）与含石墨烯和碳纳米管的重型元素之间的分散相互作用进行了计算。色散系数以石墨烯和碳纳米管的反射系数表示，这些系数在Dirac模型的框架内计算出来。此外，使用相对论方法计算了至关重要的离子和原子的虚构频率上动态偶极极化的准确值。还提供了我们计算出的静态偶极极化对所考虑元素与文献中报告的值的比较。已经研究了在广泛的分离距离内，被考虑的重元素与不同半径的石墨烯和碳纳米管的分散相互作用。结果也已经用另一个微妙的变量，即石墨烯壁的间隙参数进行了分析。对两种材料（即石墨烯和碳纳米管）获得的相互作用系数相互比较，发现石墨烯可以说是可取的材料，以吸附这些有毒的重元素。
In the present work, the calculations have been performed for dispersion interaction between heavy elements (Zn$^+$, Cd$^+$, Hg$^+$, Pb$^+$, Zn, Cd, Hg, and Pb) with graphene and carbon nanotubes by evaluating van der Waals $C_3$ coefficients using well-known Lifshitz theory. The dispersion coefficients are expressed in terms of reflection coefficients of graphene and carbon nanotubes which are calculated within the framework of Dirac model. In addition, accurate values of dynamic dipole polarizabilities at imaginary frequencies of considered ions and atoms which are vital, have been calculated using relativistic methods. The comparisons of our calculated static dipole polarizabilities for the considered elements with the values reported in the literature are also presented. The dispersion interactions of the considered heavy elements with the graphene and carbon nanotubes of different radii in a wide range of separation distances have been studied. The results have also been analysed with another subtle variable, i.e., gap parameter of graphene wall. The interaction coefficients obtained for both the materials, i.e., for graphene and carbon nanotubes are mutually compared and it is found that graphene can be said as preferable material for adsorption of these toxic heavy elements.
