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<p>A comprehensive study of the capability for graphene doping in a lizardite/graphene heterostructure has been conducted. Formation energy calculations of the 12 heterostructures exhibit the chemical stability of all the conformations. The electronic properties of doped lizardite/graphene heterostructures preserve the electronic characteristics of graphene while inducing a p-type/n-type doping due to the substitutional impurity of lizardite. The modified electronic properties of the heterostructures resulting from doping have been thoroughly examined. Moreover, the enhanced conductivity of the heterostructures confirms the doping of graphene and widens the scope of the applicability of graphene.</p>

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Doping on Lizardite/Graphene Vertically Stacked Heterostructures: A DFT Study

  • 期刊论文

  • 发表日期：

    2025年10月15日

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  • Angsula Ghosh,
  • Consuelo Alves da Frota,
  • Cícero Augusto Mota Cavalcante,
  • Hidembergue Ordozgoith da Frota

摘要

A comprehensive study of the capability for graphene doping in a lizardite/graphene heterostructure has been conducted. Formation energy calculations of the 12 heterostructures exhibit the chemical stability of all the conformations. The electronic properties of doped lizardite/graphene heterostructures preserve the electronic characteristics of graphene while inducing a p-type/n-type doping due to the substitutional impurity of lizardite. The modified electronic properties of the heterostructures resulting from doping have been thoroughly examined. Moreover, the enhanced conductivity of the heterostructures confirms the doping of graphene and widens the scope of the applicability of graphene.