Chiral-Selective Carbon Nanotube Growth New, Clear Horizons from Theory to Practice

Abstract

The growth of nanotubes with specific chirality is essential for industrial applications and remains a great challenge. Using graphene as a for the representation of the CNT edge, we investigated effects of catalyst type and softness on preferred positioning of the edge as well as its growth shapes. Considering the energetics of the CNT-catalyst interface, we uncovered an edge-type segregated configuration that significantly lowers the energy of chiral nanotubes allowing preference towards mid-chirality CNTs on some catalysts, while combination of the thermodynamic preference towards armchair CNTs on Co and Ni catalysts and kinetic favoring of chiral tubes explained the next to-armchair chiral preference. Those findings provide rich theoretical base for the CNT synthesis with controlled chiral selectivity.

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Document Details

Document Type
Technical Report
Publication Date
Sep 12, 2019
Accession Number
AD1096515

Entities

People

  • Boris I Yakobson

Organizations

  • Rice University

Tags

Communities of Interest

  • Advanced Electronics
  • Air Platforms

DTIC Thesaurus Topics

  • Air Force
  • Air Force Research Laboratories
  • Atomic Structure
  • Atoms
  • Carbon Nanotubes
  • Carrier Mobility
  • Catalysts
  • Chemical Vapor Deposition
  • Crystal Lattices
  • First Principles Calculations
  • Fullerenes
  • Graphene
  • Materials
  • Materials Laboratories
  • Materials Processing
  • Nanomaterials
  • Nanoparticles

Readers

  • Economics
  • Materials Science and Engineering.
  • Nanocomposite Materials Science

Technology Areas

  • Microelectronics