Scholarlink

<p>Herein we have demonstrated a comprehensive analysis of the electronic structure and transport properties of the (5, 5), (7, 7), (11, 11) CNTs encapsulated with the simple sulfur chain and helical sulfur chain. Electronic structure calculation and geometric parameter evaluation clearly depict that compared to the simple chain, the&#xa0;helical sulfur chain has a huge impact on the (5, 5), (11, 11) CNTs and a substantial charge transfer event occurs between these moieties. Projected density of states (PDOS) and band structure calculation confirms that both simple and helical sulfur chains couple with the conduction bands of CNTs and alter the conduction band by introduction of orbitals from the&#xa0;sulfur chain level. From the current–voltage curve, we can argue that up to 1&#xa0;eV voltage bias, the helical sulfur chain encapsulated composite showed higher current transport and significant enhancement of quantum conductance is achieved for&#xa0;a (5, 5) CNT-helical sulfur composite. Hence both a&#xa0;simple sulfur chain and helical sulfur chain could be an active element tuning the electronic and transport properties of carbon nanotube-based nanocomposite.</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

Electronic and transport properties of a sulfur chain encapsulated carbon nanotube

  • 期刊论文

  • 发表日期：

    2025年11月24日

查看全文
  • Sourav Mazumdar,
  • Nabajyoti Baildya,
  • Surajit Saha,
  • Narendra Nath Ghosh,
  • Soma Mitra,
  • Subrata Sarkar

摘要

Herein we have demonstrated a comprehensive analysis of the electronic structure and transport properties of the (5, 5), (7, 7), (11, 11) CNTs encapsulated with the simple sulfur chain and helical sulfur chain. Electronic structure calculation and geometric parameter evaluation clearly depict that compared to the simple chain, the helical sulfur chain has a huge impact on the (5, 5), (11, 11) CNTs and a substantial charge transfer event occurs between these moieties. Projected density of states (PDOS) and band structure calculation confirms that both simple and helical sulfur chains couple with the conduction bands of CNTs and alter the conduction band by introduction of orbitals from the sulfur chain level. From the current–voltage curve, we can argue that up to 1 eV voltage bias, the helical sulfur chain encapsulated composite showed higher current transport and significant enhancement of quantum conductance is achieved for a (5, 5) CNT-helical sulfur composite. Hence both a simple sulfur chain and helical sulfur chain could be an active element tuning the electronic and transport properties of carbon nanotube-based nanocomposite.