Scholarlink

Context <p>Graphene nanosheets are among the most promising materials for thermoelectric applications because of their exceptional electronic properties. However, their intrinsically high thermal conductivity significantly limits their thermoelectric efficiency. Defect engineering has emerged as an effective strategy for tailoring the electronic&#xa0;structure and transport characteristics of graphene by introducing localized states and suppressing phonon transport. In this study, the effects of different geometric modifications, including central drilling (center-to-edge), bidirectional drilling, and edge drilling (edge-to-center), as well as vertical structural modification, were investigated to enhance the thermoelectric performance of graphene nanosheets.</p> Methods <p>Density Functional Theory (DFT), combined with the Non-Equilibrium Green's Function (NEGF) formalism, was employed to investigate a series of graphene nanostructures positioned between two graphene electrodes (Figure <InternalRef RefID="Fig1">1</InternalRef>). The electronic transport and thermoelectric properties of the defect-engineered graphene systems were systematically analyzed by calculating the quantum transmission characteristics and evaluating the influence of different drilling geometries and vertical multilayer configurations on their electronic structure and transport behavior.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Enhancing electrical and thermoelectrical performance of graphene nanoribbons through geometrical defect engineering

  • 期刊论文

  • 发表日期：

    2026年7月1日

查看全文
  • Omar Hatem Nower,
  • Alaa A. Al-jobory

摘要

Context

Graphene nanosheets are among the most promising materials for thermoelectric applications because of their exceptional electronic properties. However, their intrinsically high thermal conductivity significantly limits their thermoelectric efficiency. Defect engineering has emerged as an effective strategy for tailoring the electronic structure and transport characteristics of graphene by introducing localized states and suppressing phonon transport. In this study, the effects of different geometric modifications, including central drilling (center-to-edge), bidirectional drilling, and edge drilling (edge-to-center), as well as vertical structural modification, were investigated to enhance the thermoelectric performance of graphene nanosheets.

Methods

Density Functional Theory (DFT), combined with the Non-Equilibrium Green's Function (NEGF) formalism, was employed to investigate a series of graphene nanostructures positioned between two graphene electrodes (Figure 1). The electronic transport and thermoelectric properties of the defect-engineered graphene systems were systematically analyzed by calculating the quantum transmission characteristics and evaluating the influence of different drilling geometries and vertical multilayer configurations on their electronic structure and transport behavior.