DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Embedded boron nitride domains in graphene nanoribbons for transport gap engineering

Abstract

In this study, we numerically investigate the impact of boron nitride (BN) domains on the transport properties of graphene nanoribbons with lengths ranging from a few to several hundreds of nanometers and lateral size up to 4 nm. By varying the size and morphology of the BN islands embedded in the graphene matrix, a wide transport tunability is obtained from perfect insulating interfaces to asymmetric electron-hole transmission profiles, providing the possibility to engineer mobility gaps to improve device performances. Even in the low-density limit of embedded BN islands, transport properties are found to be highly dependent on both the BN-domain shape and the size with a strong tendency toward an insulating regime when increasing the number of ionic bonds in the ribbon. This versatility of conduction properties offers remarkable opportunities for transport gap engineering for the design of complex device architectures based on a newly synthesized one-atom hybrid layered material.

Authors:
 [1];  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. Autónoma de Barcelona, Barcelona (Spain). Catalan Inst. of Nanotechnology (CIN2); Inst. Catalana de Recerca i Estudis Avancats, Barcelona (Spain)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565039
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 86; Journal Issue: 16; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; materials science; physics

Citation Formats

Lopez-Bezanilla, Alejandro, and Roche, Stephan. Embedded boron nitride domains in graphene nanoribbons for transport gap engineering. United States: N. p., 2012. Web. doi:10.1103/physrevb.86.165420.
Lopez-Bezanilla, Alejandro, & Roche, Stephan. Embedded boron nitride domains in graphene nanoribbons for transport gap engineering. United States. https://doi.org/10.1103/physrevb.86.165420
Lopez-Bezanilla, Alejandro, and Roche, Stephan. Thu . "Embedded boron nitride domains in graphene nanoribbons for transport gap engineering". United States. https://doi.org/10.1103/physrevb.86.165420. https://www.osti.gov/servlets/purl/1565039.
@article{osti_1565039,
title = {Embedded boron nitride domains in graphene nanoribbons for transport gap engineering},
author = {Lopez-Bezanilla, Alejandro and Roche, Stephan},
abstractNote = {In this study, we numerically investigate the impact of boron nitride (BN) domains on the transport properties of graphene nanoribbons with lengths ranging from a few to several hundreds of nanometers and lateral size up to 4 nm. By varying the size and morphology of the BN islands embedded in the graphene matrix, a wide transport tunability is obtained from perfect insulating interfaces to asymmetric electron-hole transmission profiles, providing the possibility to engineer mobility gaps to improve device performances. Even in the low-density limit of embedded BN islands, transport properties are found to be highly dependent on both the BN-domain shape and the size with a strong tendency toward an insulating regime when increasing the number of ionic bonds in the ribbon. This versatility of conduction properties offers remarkable opportunities for transport gap engineering for the design of complex device architectures based on a newly synthesized one-atom hybrid layered material.},
doi = {10.1103/physrevb.86.165420},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 16,
volume = 86,
place = {United States},
year = {Thu Oct 11 00:00:00 EDT 2012},
month = {Thu Oct 11 00:00:00 EDT 2012}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 14 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal
journal, May 2004

  • Watanabe, Kenji; Taniguchi, Takashi; Kanda, Hisao
  • Nature Materials, Vol. 3, Issue 6
  • DOI: 10.1038/nmat1134

Energy Gaps in Graphene Nanoribbons
journal, November 2006


Tunable magnetic states in hexagonal boron nitride sheets
journal, September 2012

  • Machado-Charry, Eduardo; Boulanger, Paul; Genovese, Luigi
  • Applied Physics Letters, Vol. 101, Issue 13
  • DOI: 10.1063/1.4754143

Effect of the Chemical Functionalization on Charge Transport in Carbon Nanotubes at the Mesoscopic Scale
journal, March 2009

  • López-Bezanilla, Alejandro; Triozon, François; Latil, Sylvain
  • Nano Letters, Vol. 9, Issue 3
  • DOI: 10.1021/nl802798q

Weak-Localization Magnetoresistance and Valley Symmetry in Graphene
journal, October 2006


Towards hybrid superlattices in graphene
journal, September 2011

  • Sun, Zhengzong; Pint, Cary L.; Marcano, Daniela C.
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1577

B and N codoping effect on electronic transport in carbon nanotubes
journal, May 2010


The SIESTA method for ab initio order- N materials simulation
journal, March 2002

  • Soler, José M.; Artacho, Emilio; Gale, Julian D.
  • Journal of Physics: Condensed Matter, Vol. 14, Issue 11
  • DOI: 10.1088/0953-8984/14/11/302

Self-consistent order- N density-functional calculations for very large systems
journal, April 1996


Low-Dimensional Quantum Transport Properties of Chemically-Disordered Carbon Nanotubes: from weak to Strong Localization Regimes
journal, December 2007

  • Avriller, Remi; Roche, Stephan; Triozon, Francois
  • Modern Physics Letters B, Vol. 21, Issue 29
  • DOI: 10.1142/S0217984907014322

Electronic transport properties of carbon nanotube based metal/semiconductor/metal intramolecular junctions
journal, January 2005


Converting Metallic Single-Walled Carbon Nanotubes into Semiconductors by Boron/Nitrogen Co-Doping
journal, October 2008


Chemically Derived, Ultrasmooth Graphene Nanoribbon Semiconductors
journal, February 2008


Direct calculation of the tunneling current
journal, June 1971

  • Caroli, C.; Combescot, R.; Nozieres, P.
  • Journal of Physics C: Solid State Physics, Vol. 4, Issue 8
  • DOI: 10.1088/0022-3719/4/8/018

Graphene gets a better gap
journal, December 2010


Oxygen Surface Functionalization of Graphene Nanoribbons for Transport Gap Engineering
journal, October 2011

  • Cresti, Alessandro; Lopez-Bezanilla, Alejandro; Ordejón, Pablo
  • ACS Nano, Vol. 5, Issue 11
  • DOI: 10.1021/nn203573y

Bandgap opening in graphene induced by patterned hydrogen adsorption
journal, March 2010

  • Balog, Richard; Jørgensen, Bjarke; Nilsson, Louis
  • Nature Materials, Vol. 9, Issue 4
  • DOI: 10.1038/nmat2710

Atomic layers of hybridized boron nitride and graphene domains
journal, February 2010

  • Ci, Lijie; Song, Li; Jin, Chuanhong
  • Nature Materials, Vol. 9, Issue 5, p. 430-435
  • DOI: 10.1038/nmat2711

Simultaneous Nitrogen Doping and Reduction of Graphene Oxide
journal, November 2009

  • Li, Xiaolin; Wang, Hailiang; Robinson, Joshua T.
  • Journal of the American Chemical Society, Vol. 131, Issue 43
  • DOI: 10.1021/ja907098f

Chemical Functionalization Effects on Armchair Graphene Nanoribbon Transport
journal, July 2009

  • López-Bezanilla, Alejandro; Triozon, François; Roche, Stephan
  • Nano Letters, Vol. 9, Issue 7
  • DOI: 10.1021/nl900561x

Anomalous Doping Effects on Charge Transport in Graphene Nanoribbons
journal, March 2009


Approaching ballistic transport in suspended graphene
journal, July 2008

  • Du, Xu; Skachko, Ivan; Barker, Anthony
  • Nature Nanotechnology, Vol. 3, Issue 8, p. 491-495
  • DOI: 10.1038/nnano.2008.199

Universal Conductance Distributions in the Crossover between Diffusive and Localization Regimes
journal, August 2001


Huge Excitonic Effects in Layered Hexagonal Boron Nitride
journal, January 2006


Quasiparticle band structure of bulk hexagonal boron nitride and related systems
journal, March 1995


Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments
journal, May 2009


Electronic transport properties of nanographite ribbon junctions
journal, September 2001


Chiral tunnelling and the Klein paradox in graphene
journal, August 2006

  • Katsnelson, M. I.; Novoselov, K. S.; Geim, A. K.
  • Nature Physics, Vol. 2, Issue 9
  • DOI: 10.1038/nphys384

Ultrahigh electron mobility in suspended graphene
journal, June 2008

  • Bolotin, K. I.; Sikes, K. J.; Jiang, Z.
  • Solid State Communications, Vol. 146, Issue 9-10, p. 351-355
  • DOI: 10.1016/j.ssc.2008.02.024

Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers
journal, August 2010

  • Song, Li; Ci, Lijie; Lu, Hao
  • Nano Letters, Vol. 10, Issue 8, p. 3209-3215
  • DOI: 10.1021/nl1022139

Magnetoresistance in disordered graphene: The role of pseudospin and dimensionality effects unraveled
journal, May 2011

  • Ortmann, Frank; Cresti, Alessandro; Montambaux, Gilles
  • EPL (Europhysics Letters), Vol. 94, Issue 4
  • DOI: 10.1209/0295-5075/94/47006

Electronic Structure of Monolayer Hexagonal Boron Nitride Physisorbed on Metal Surfaces
journal, November 1995


Charge transport in disordered graphene-based low dimensional materials
journal, November 2008


Chemically Induced Mobility Gaps in Graphene Nanoribbons: A Route for Upscaling Device Performances
journal, July 2009

  • Biel, Blanca; Triozon, François; Blase, X.
  • Nano Letters, Vol. 9, Issue 7
  • DOI: 10.1021/nl901226s

Nearly perfect single-channel conduction in disordered armchair nanoribbons
journal, March 2009

  • Yamamoto, Masayuki; Takane, Yositake; Wakabayashi, Katsunori
  • Physical Review B, Vol. 79, Issue 12
  • DOI: 10.1103/PhysRevB.79.125421

Scaling Theory Put into Practice: First-Principles Modeling of Transport in Doped Silicon Nanowires
journal, August 2007


Nobel Lecture: Graphene: Materials in the Flatland
journal, August 2011


The two-dimensional phase of boron nitride: Few-atomic-layer sheets and suspended membranes
journal, March 2008

  • Pacilé, D.; Meyer, J. C.; Girit, Ç. Ö.
  • Applied Physics Letters, Vol. 92, Issue 13
  • DOI: 10.1063/1.2903702

Conductance quantization and transport gaps in disordered graphene nanoribbons
journal, February 2009


Defects, Quasibound States, and Quantum Conductance in Metallic Carbon Nanotubes
journal, March 2000


Efficient pseudopotentials for plane-wave calculations
journal, January 1991


Works referencing / citing this record:

Defective graphene domains in boron nitride sheets
journal, July 2019

  • dos Santos, Ramiro Marcelo; Santos, Renato Batista; Neto, Bernahrd Georg Enders
  • Journal of Molecular Modeling, Vol. 25, Issue 8
  • DOI: 10.1007/s00894-019-4093-5

Resonant tunnelling and negative differential conductance in graphene transistors
journal, April 2013

  • Britnell, L.; Gorbachev, R. V.; Geim, A. K.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2817

Ab initio spin-flip conductance of hydrogenated graphene nanoribbons: Spin-orbit interaction and scattering with local impurity spins
journal, July 2015


Resonant tunnelling and negative differential conductance in graphene transistors
text, January 2013


Resonant tunnelling and negative differential conductance in graphene transistors
text, January 2013