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Hydrogenation effects on the thermal and magnetic properties of mono- and bilayer graphene

  • Carbon Letters
  • Abbr : Carbon Lett.
  • 2021, 31(5), pp.1089-1096
  • DOI : 10.1007/s42823-021-00227-4
  • Publisher : Korean Carbon Society
  • Research Area : Natural Science > Natural Science General > Other Natural Sciences General
  • Received : September 25, 2020
  • Accepted : January 7, 2021
  • Published : October 1, 2021

Sohrabi Sani Shahdokht 1 Mousavi Hamze 1 Jalilvand Samira 1 Asshabi Moein 1

1Razi University

Accredited

ABSTRACT

In the present study, the nearest-neighbor tight-binding model has been employed to calculate the density of states (DOS), electronic heat capacity (EHC), and Pauli magnetic susceptibility (PMS) of hydrogenated systems, namely monolayer graphone and graphane, bilayer graphone–graphene, and bilayer graphane–graphene. Then, the results have been compared with that of monolayer and simple bilayer graphene. It was found that the behaviors of hydrogenated systems difer from those of monolayer and bilayer graphene near the Fermi Level. Also, monolayer graphone and bilayer graphone–graphene exhibit a high peak near the Fermi level. Graphane monolayer, on the other hand, has no states around the Fermi level. Furthermore, bilayer graphane–graphone, similar to graphene, is a semimetal. Also, Schottky anomaly peaks in the EHC curves and crossovers in the PMS curves can be observed, which have divided the domain into two regions of low and high temperature. Compared to hydrogenated systems, the Schottky anomaly in graphene monolayer and bilayer graphene occurred at lower temperatures, while the PMS of monolayer graphone and bilayer graphone–graphene were faster than other systems in reaching the crossover. From the theoretical standpoint, these phenomena are due to the proportional relation of the PMS and EHC with the DOS.

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