Dispersion C3 coefficients for physisorption of heavy ions and atoms with graphene and carbon nanotubes

Harpreet Kaur, Neelam Shukla, Rajesh Srivastava, and Bindiya Arora
Phys. Rev. A 104, 012806 – Published 15 July 2021
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Abstract

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 C3 coefficients using the 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 the 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 analyzed with another subtle variable, i.e., the gap parameter of the 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 to be a preferable material for adsorption of these toxic heavy elements.

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  • Received 6 April 2021
  • Accepted 23 June 2021

DOI:https://doi.org/10.1103/PhysRevA.104.012806

©2021 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Harpreet Kaur1, Neelam Shukla2, Rajesh Srivastava2, and Bindiya Arora1,*

  • 1Department of Physics, Guru Nanak Dev University, Amritsar, Punjab 143005, India
  • 2Department of Physics, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand 247667, India

  • *bindiya.phy@gndu.ac.in

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Issue

Vol. 104, Iss. 1 — July 2021

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