skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Boronated holey graphene: a case of 2D ferromagnetic metal

Abstract

In search of new candidates for two-dimensional ferromagnets, we consider boronated monolayer holey graphene (C 2 B), akin to recently synthesized and extensively studied nitrogenated monolayer holey graphene (C 2 N).

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3]
  1. School of Mathematical and Computational Sciences, Indian Association for the Cultivation of Science, Kolkata 700 032, India
  2. Department of Physics, Virginia Commonwealth University, Richmond, USA
  3. School of Mathematical and Computational Sciences, Indian Association for the Cultivation of Science, Kolkata 700 032, India, Department of Condensed Matter Physics and Materials Science
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1562322
Grant/Contract Number:  
FG02-96ER45579
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 37; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Nafday, Dhani, Fang, Hong, Jena, Puru, and Saha-Dasgupta, Tanusri. Boronated holey graphene: a case of 2D ferromagnetic metal. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CP02936B.
Nafday, Dhani, Fang, Hong, Jena, Puru, & Saha-Dasgupta, Tanusri. Boronated holey graphene: a case of 2D ferromagnetic metal. United Kingdom. doi:10.1039/C9CP02936B.
Nafday, Dhani, Fang, Hong, Jena, Puru, and Saha-Dasgupta, Tanusri. Wed . "Boronated holey graphene: a case of 2D ferromagnetic metal". United Kingdom. doi:10.1039/C9CP02936B.
@article{osti_1562322,
title = {Boronated holey graphene: a case of 2D ferromagnetic metal},
author = {Nafday, Dhani and Fang, Hong and Jena, Puru and Saha-Dasgupta, Tanusri},
abstractNote = {In search of new candidates for two-dimensional ferromagnets, we consider boronated monolayer holey graphene (C 2 B), akin to recently synthesized and extensively studied nitrogenated monolayer holey graphene (C 2 N).},
doi = {10.1039/C9CP02936B},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 37,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9CP02936B

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Theory of anomalous quantum Hall effects in graphene
journal, May 2008


Graphene spintronics
journal, October 2014

  • Han, Wei; Kawakami, Roland K.; Gmitra, Martin
  • Nature Nanotechnology, Vol. 9, Issue 10
  • DOI: 10.1038/nnano.2014.214

Magnetic nanographite: an approach to molecular magnetism
journal, January 2005

  • Enoki, Toshiaki; Kobayashi, Yousuke
  • Journal of Materials Chemistry, Vol. 15, Issue 37
  • DOI: 10.1039/b500274p

Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals
journal, April 2017


Giant reduction of thermal conductivity in a two-dimensional nitrogenated holey C 2 N nanosheet
journal, January 2017

  • Zhang, Tingting; Zhu, Liyan
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 3
  • DOI: 10.1039/C6CP05637G

Tuning the electronic structures and magnetism of two-dimensional porous C 2 N via transition metal embedding
journal, January 2016

  • Du, Juan; Xia, Congxin; Xiong, Wenqi
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 32
  • DOI: 10.1039/C6CP03210A

Half-metallicity in hole-doped nitrogenated honey graphene: A first-principles study
journal, March 2017


Clusters of transition-metal atoms
journal, December 1986


Holey graphene: a unique structural derivative of graphene
journal, January 2017


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

Structure prediction of boron-doped graphene by machine learning
journal, March 2018

  • M. Dieb, Thaer; Hou, Zhufeng; Tsuda, Koji
  • The Journal of Chemical Physics, Vol. 148, Issue 24
  • DOI: 10.1063/1.5018065

Soft MAX phases with boron substitution: A computational prediction
journal, October 2018


Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates
journal, February 2018


Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit
journal, June 2017

  • Huang, Bevin; Clark, Genevieve; Navarro-Moratalla, Efrén
  • Nature, Vol. 546, Issue 7657
  • DOI: 10.1038/nature22391

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons
journal, October 2014

  • Magda, Gábor Zsolt; Jin, Xiaozhan; Hagymási, Imre
  • Nature, Vol. 514, Issue 7524
  • DOI: 10.1038/nature13831

A theoretical analysis of the effect of the hydrogenation of graphene to graphane on its mechanical properties
journal, January 2013

  • Peng, Qing; Liang, Chao; Ji, Wei
  • Phys. Chem. Chem. Phys., Vol. 15, Issue 6
  • DOI: 10.1039/C2CP43360E

Ferromagnetism and Half-Metallicity in Atomically Thin Holey Nitrogenated Graphene Based Systems
journal, July 2017


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

Bottom-up synthesis of multifunctional nanoporous graphene
journal, April 2018


Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage
journal, January 2013

  • Peng, Qing; De, Suvranu
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 44
  • DOI: 10.1039/c3cp52879k

Manipulating the mechanical properties of Ti 2 C MXene: Effect of substitutional doping
journal, May 2017


ESR of Mn 2 and Mn 5 molecules in rare‐gas matrices a)
journal, January 1983

  • Baumann, C. A.; Van Zee, R. J.; Bhat, S. V.
  • The Journal of Chemical Physics, Vol. 78, Issue 1
  • DOI: 10.1063/1.444540

Magnetic 3d Transition Metal Atomic Chains Modulated by the Intrinsic Valley Structure in MX Monolayer
journal, September 2018

  • Li, Shujing; Zhou, Mei; Zheng, Fawei
  • Advanced Electronic Materials, Vol. 5, Issue 1
  • DOI: 10.1002/aelm.201800450

Effects of stacking order, layer number and external electric field on electronic structures of few-layer C 2 N-h2D
journal, January 2015

  • Zhang, Ruiqi; Li, Bin; Yang, Jinlong
  • Nanoscale, Vol. 7, Issue 33
  • DOI: 10.1039/C5NR03895B

Giant Magnetic Moments of Nitrogen-Doped Mn Clusters and their Relevance to Ferromagnetism in Mn-Doped GaN
journal, October 2002


A two-dimensional layered CdS/C 2 N heterostructure for visible-light-driven photocatalysis
journal, January 2017

  • Luo, Xukai; Wang, Guangzhao; Huang, Yuhong
  • Phys. Chem. Chem. Phys., Vol. 19, Issue 41
  • DOI: 10.1039/C7CP04108J

Nitrogenated, phosphorated and arsenicated monolayer holey graphenes
journal, January 2016

  • Yagmurcukardes, Mehmet; Horzum, Seyda; Torun, Engin
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 4
  • DOI: 10.1039/C5CP05538E

Gate-tunable quantum transport in double-layer graphene
journal, October 2012


Substantial reduction of Stone-Wales activation barrier in fullerene
journal, November 2011

  • Kabir, Mukul; Mukherjee, Swarnakamal; Saha-Dasgupta, Tanusri
  • Physical Review B, Vol. 84, Issue 20
  • DOI: 10.1103/PhysRevB.84.205404

Nitrogenated holey two-dimensional structures
journal, March 2015

  • Mahmood, Javeed; Lee, Eun Kwang; Jung, Minbok
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7486

Ferromagnetism in Semihydrogenated Graphene Sheet
journal, November 2009