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Title: Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges

Abstract

We report a novel physicochemical route to produce highly crystalline nitrogen-doped graphene nanoribbons. The technique consists of an abrupt N2 gas expansion within the hollow core of nitrogen-doped multiwalled carbon nanotubes (CNx-MWNTs) when exposed to a fast thermal shock. The multiwalled nanotube unzipping mechanism is rationalized using molecular dynamics and density functional theory simulations, which highlight the importance of open-ended nanotubes in promoting the efficient introduction of N2 molecules by capillary action within tubes and surface defects, thus triggering an efficient and atomically smooth unzipping. The so-produced nanoribbons could be few-layered (from graphene bilayer onward) and could exhibit both crystalline zigzag and armchair edges. In contrast to methods developed previously, our technique presents various advantages: (1) the tubes are not heavily oxidized; (2) the method yields sharp atomic edges within the resulting nanoribbons; (3) the technique could be scaled up for the bulk production of crystalline nanoribbons from available MWNT sources; and (4) this route could eventually be used to unzip other types of carbon nanotubes or intercalated layered materials such as BN, MoS2, WS2, etc.

Authors:
 [1];  [1];  [2];  [3];  [4];  [3];  [3];  [3]
  1. ORNL
  2. Universidad Carlos III, Madrid, Spain
  3. Shinshu University
  4. IPICyT
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Center for Nanophase Materials Sciences; Center for Computational Sciences
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1036193
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: ACS Nano; Journal Volume: TBD; Journal Issue: 3
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; CARBON; DEFECTS; FUNCTIONALS; NANOTUBES; NITROGEN; PRODUCTION; THERMAL EXPANSION; THERMAL SHOCK

Citation Formats

Sumpter, Bobby G, Meunier, Vincent, Terrones, M., Endo, M, Munoz-Sandoval, Emilio, Kim, Y A, Morelos-Bomez, Aaron, and Vega-Diaz, Sofia. Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges. United States: N. p., 2012. Web.
Sumpter, Bobby G, Meunier, Vincent, Terrones, M., Endo, M, Munoz-Sandoval, Emilio, Kim, Y A, Morelos-Bomez, Aaron, & Vega-Diaz, Sofia. Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges. United States.
Sumpter, Bobby G, Meunier, Vincent, Terrones, M., Endo, M, Munoz-Sandoval, Emilio, Kim, Y A, Morelos-Bomez, Aaron, and Vega-Diaz, Sofia. Sun . "Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges". United States. doi:.
@article{osti_1036193,
title = {Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges},
author = {Sumpter, Bobby G and Meunier, Vincent and Terrones, M. and Endo, M and Munoz-Sandoval, Emilio and Kim, Y A and Morelos-Bomez, Aaron and Vega-Diaz, Sofia},
abstractNote = {We report a novel physicochemical route to produce highly crystalline nitrogen-doped graphene nanoribbons. The technique consists of an abrupt N2 gas expansion within the hollow core of nitrogen-doped multiwalled carbon nanotubes (CNx-MWNTs) when exposed to a fast thermal shock. The multiwalled nanotube unzipping mechanism is rationalized using molecular dynamics and density functional theory simulations, which highlight the importance of open-ended nanotubes in promoting the efficient introduction of N2 molecules by capillary action within tubes and surface defects, thus triggering an efficient and atomically smooth unzipping. The so-produced nanoribbons could be few-layered (from graphene bilayer onward) and could exhibit both crystalline zigzag and armchair edges. In contrast to methods developed previously, our technique presents various advantages: (1) the tubes are not heavily oxidized; (2) the method yields sharp atomic edges within the resulting nanoribbons; (3) the technique could be scaled up for the bulk production of crystalline nanoribbons from available MWNT sources; and (4) this route could eventually be used to unzip other types of carbon nanotubes or intercalated layered materials such as BN, MoS2, WS2, etc.},
doi = {},
journal = {ACS Nano},
number = 3,
volume = TBD,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2012},
month = {Sun Jan 01 00:00:00 EST 2012}
}