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Title: Phonons and thermal conducting properties of borocarbonitride (BCN) nanosheets

Abstract

Hexagonal borocarbonitrides (BCN) are a class of 2D materials, which display excellent catalytic activity for water splitting.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [4];  [1]
  1. Institute for Computational Molecular Science (ICMS), Temple University, Philadelphia, USA, Center for the Computational Design of Functional Layered Materials (CCDM)
  2. Institute for Computational Molecular Science (ICMS), Temple University, Philadelphia, USA, Temple Materials Institute (TMI)
  3. Institute for Computational Molecular Science (ICMS), Temple University, Philadelphia, USA
  4. Center for the Computational Design of Functional Layered Materials (CCDM), Temple University, Philadelphia, USA, Theoretical Sciences Unit
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1478673
Grant/Contract Number:  
SC0012575
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Name: Nanoscale Journal Volume: 10 Journal Issue: 47; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Chakraborty, Himanshu, Mogurampelly, Santosh, Yadav, Vivek K., Waghmare, Umesh V., and Klein, Michael L. Phonons and thermal conducting properties of borocarbonitride (BCN) nanosheets. United Kingdom: N. p., 2018. Web. doi:10.1039/C8NR07373B.
Chakraborty, Himanshu, Mogurampelly, Santosh, Yadav, Vivek K., Waghmare, Umesh V., & Klein, Michael L. Phonons and thermal conducting properties of borocarbonitride (BCN) nanosheets. United Kingdom. doi:10.1039/C8NR07373B.
Chakraborty, Himanshu, Mogurampelly, Santosh, Yadav, Vivek K., Waghmare, Umesh V., and Klein, Michael L. Thu . "Phonons and thermal conducting properties of borocarbonitride (BCN) nanosheets". United Kingdom. doi:10.1039/C8NR07373B.
@article{osti_1478673,
title = {Phonons and thermal conducting properties of borocarbonitride (BCN) nanosheets},
author = {Chakraborty, Himanshu and Mogurampelly, Santosh and Yadav, Vivek K. and Waghmare, Umesh V. and Klein, Michael L.},
abstractNote = {Hexagonal borocarbonitrides (BCN) are a class of 2D materials, which display excellent catalytic activity for water splitting.},
doi = {10.1039/C8NR07373B},
journal = {Nanoscale},
number = 47,
volume = 10,
place = {United Kingdom},
year = {2018},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8NR07373B

Citation Metrics:
Cited by: 2 works
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Works referenced in this record:

Thermal Conductance of the 2D MoS2/h-BN and graphene/h-BN Interfaces
journal, March 2017

  • Liu, Yi; Ong, Zhun-Yong; Wu, Jing
  • Scientific Reports, Vol. 7, Issue 1
  • DOI: 10.1038/srep43886

Thermal conductivity of diamond and related materials from molecular dynamics simulations
journal, October 2000

  • Che, Jianwei; Çağın, Tahir; Deng, Weiqiao
  • The Journal of Chemical Physics, Vol. 113, Issue 16
  • DOI: 10.1063/1.1310223

Tunable Electronic and Magnetic Properties in B x N y C z Nanohybrids: Effect of Domain Segregation
journal, May 2011

  • Manna, Arun K.; Pati, Swapan K.
  • The Journal of Physical Chemistry C, Vol. 115, Issue 21
  • DOI: 10.1021/jp202195b

Two-Dimensional Phonon Transport in Supported Graphene
journal, April 2010


Borocarbonitrides, BxCyNz
journal, January 2013

  • kumar, Nitesh; Moses, Kota; Pramoda, K.
  • Journal of Materials Chemistry A, Vol. 1, Issue 19
  • DOI: 10.1039/c3ta01345f

Van der Waals heterostructures
journal, July 2013

  • Geim, A. K.; Grigorieva, I. V.
  • Nature, Vol. 499, Issue 7459, p. 419-425
  • DOI: 10.1038/nature12385

Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004


Li intercalation at graphene/hexagonal boron nitride interfaces
journal, June 2016


Thermal conductivity of a two-dimensional phosphorene sheet: a comparative study with graphene
journal, January 2015

  • Hong, Yang; Zhang, Jingchao; Huang, Xiaopeng
  • Nanoscale, Vol. 7, Issue 44
  • DOI: 10.1039/C5NR03577E

Direct Growth of Graphene/Hexagonal Boron Nitride Stacked Layers
journal, May 2011

  • Liu, Zheng; Song, Li; Zhao, Shizhen
  • Nano Letters, Vol. 11, Issue 5
  • DOI: 10.1021/nl200464j

Thermal conductivity of BN-C nanostructures
journal, September 2012


Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


Thermodynamic properties of pure and doped (B, N) graphene
journal, January 2016

  • Mann, Sarita; Rani, Pooja; Kumar, Ranjan
  • RSC Advances, Vol. 6, Issue 15
  • DOI: 10.1039/C5RA25239C

Equilibrium limit of thermal conduction and boundary scattering in nanostructures
journal, June 2014

  • Haskins, Justin B.; Kınacı, Alper; Sevik, Cem
  • The Journal of Chemical Physics, Vol. 140, Issue 24
  • DOI: 10.1063/1.4884392

Molecular-dynamics simulation of thermal conductivity in amorphous silicon
journal, March 1991


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

Temperature Dependence of the Raman Spectra of Graphene and Graphene Multilayers
journal, September 2007

  • Calizo, I.; Balandin, A. A.; Bao, W.
  • Nano Letters, Vol. 7, Issue 9
  • DOI: 10.1021/nl071033g

Borocarbonitrides, B x C y N z : Synthesis, Characterization, and Properties with Potential Applications
journal, August 2016

  • Rao, C. N. R.; Gopalakrishnan, K.
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 23
  • DOI: 10.1021/acsami.6b08401

Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation
journal, January 2015

  • Shirodkar, Sharmila N.; Waghmare, Umesh V.; Fisher, Timothy S.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 20
  • DOI: 10.1039/C5CP01680K

Thermal transport characterization of hexagonal boron nitride nanoribbons using molecular dynamics simulation
journal, October 2017

  • Khan, Asir Intisar; Navid, Ishtiaque Ahmed; Noshin, Maliha
  • AIP Advances, Vol. 7, Issue 10
  • DOI: 10.1063/1.4997036

Superior performance of borocarbonitrides, B x C y N z , as stable, low-cost metal-free electrocatalysts for the hydrogen evolution reaction
journal, January 2016

  • Chhetri, Manjeet; Maitra, Somak; Chakraborty, Himanshu
  • Energy Environ. Sci., Vol. 9, Issue 1
  • DOI: 10.1039/C5EE02521D

Time-Correlation Functions and Transport Coefficients in Statistical Mechanics
journal, October 1965


The rise of graphene
journal, March 2007

  • Geim, A. K.; Novoselov, K. S.
  • Nature Materials, Vol. 6, Issue 3, p. 183-191
  • DOI: 10.1038/nmat1849

Thermomechanical properties of a single hexagonal boron nitride sheet
journal, May 2013


Phonon properties of graphene derived from molecular dynamics simulations
journal, August 2015

  • Koukaras, Emmanuel N.; Kalosakas, George; Galiotis, Costas
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep12923

Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet
journal, January 2016

  • Hong, Yang; Zhang, Jingchao; Zeng, Xiao Cheng
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 35
  • DOI: 10.1039/C6CP03933B

Constant pressure molecular dynamics algorithms
journal, September 1994

  • Martyna, Glenn J.; Tobias, Douglas J.; Klein, Michael L.
  • The Journal of Chemical Physics, Vol. 101, Issue 5
  • DOI: 10.1063/1.467468

Effect of strong phonon–phonon coupling on the temperature dependent structural stability and frequency shift of 2D hexagonal boron nitride
journal, January 2016

  • Anees, P.; Valsakumar, M. C.; Panigrahi, B. K.
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 4
  • DOI: 10.1039/C5CP06111C

Tight-binding molecular-dynamics study of phonon anharmonic effects in silicon and diamond
journal, December 1990


First-principles design of a borocarbonitride-based anode for superior performance in sodium-ion batteries and capacitors
journal, January 2016

  • Banerjee, Swastika; Neihsial, Siamkhanthang; Pati, Swapan K.
  • Journal of Materials Chemistry A, Vol. 4, Issue 15
  • DOI: 10.1039/C6TA01645F

Composition-dependent photoluminescence and electronic structure of 2-dimensional borocarbonitrides, BC X N ( x = 1, 5)
journal, May 2014


Flexural phonons and thermal transport in graphene
journal, September 2010