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

Title: Ambient-pressure CVD of graphene on low-index Ni surfaces using methane: A combined experimental and first-principles study

; ; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 7; Journal ID: ISSN 2475-9953
American Physical Society
Country of Publication:
United States

Citation Formats

Mafra, Daniela L., Olmos-Asar, Jimena A., Negreiros, Fabio R., Reina, Alfonso, Kim, Ki Kang, Dresselhaus, Mildred S., Kong, Jing, Mankey, Gary J., and Araujo, Paulo T. Ambient-pressure CVD of graphene on low-index Ni surfaces using methane: A combined experimental and first-principles study. United States: N. p., 2018. Web. doi:10.1103/PhysRevMaterials.2.073404.
Mafra, Daniela L., Olmos-Asar, Jimena A., Negreiros, Fabio R., Reina, Alfonso, Kim, Ki Kang, Dresselhaus, Mildred S., Kong, Jing, Mankey, Gary J., & Araujo, Paulo T. Ambient-pressure CVD of graphene on low-index Ni surfaces using methane: A combined experimental and first-principles study. United States.
Mafra, Daniela L., Olmos-Asar, Jimena A., Negreiros, Fabio R., Reina, Alfonso, Kim, Ki Kang, Dresselhaus, Mildred S., Kong, Jing, Mankey, Gary J., and Araujo, Paulo T. Mon . "Ambient-pressure CVD of graphene on low-index Ni surfaces using methane: A combined experimental and first-principles study". United States.
title = {Ambient-pressure CVD of graphene on low-index Ni surfaces using methane: A combined experimental and first-principles study},
author = {Mafra, Daniela L. and Olmos-Asar, Jimena A. and Negreiros, Fabio R. and Reina, Alfonso and Kim, Ki Kang and Dresselhaus, Mildred S. and Kong, Jing and Mankey, Gary J. and Araujo, Paulo T.},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.2.073404},
journal = {Physical Review Materials},
number = 7,
volume = 2,
place = {United States},
year = {2018},
month = {7}

Journal Article:
Free Publicly Available Full Text

Citation Metrics:
Cited by: 13 works
Citation information provided by
Web of Science

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

Chemisorption and fragmentation of C 60 on Pt(111) and Ni(110)
journal, March 1996

Structure of graphene on the Ni(110) surface
journal, September 2011

  • Fedorov, A. V.; Varykhalov, A. Yu.; Dobrotvorskii, A. M.
  • Physics of the Solid State, Vol. 53, Issue 9
  • DOI: 10.1134/S1063783411090101

Interaction of methane with Ni(111) and Ni(100); diffusion of carbon into nickel through the (100) surface; An aes-leed study
journal, August 1979

Review of CVD Synthesis of Graphene: Review of CVD Synthesis of Graphene
journal, November 2013

  • Muñoz, Roberto; Gómez-Aleixandre, Cristina
  • Chemical Vapor Deposition, Vol. 19, Issue 10-11-12
  • DOI: 10.1002/cvde.201300051

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Equilibrium segregation of carbon to a nickel (111) surface: A surface phase transition
journal, June 1974

Graphene–nickel interfaces: a review
journal, January 2014

Mechanical properties of nickel-graphene composites synthesized by electrochemical deposition
journal, January 2015

Moiré Superstructures of Graphene on Faceted Nickel Islands
journal, October 2010

  • Murata, Yuya; Petrova, Vania; Kappes, Branden B.
  • ACS Nano, Vol. 4, Issue 11
  • DOI: 10.1021/nn102446y

Review of Chemical Vapor Deposition of Graphene and Related Applications
journal, November 2012

  • Zhang, Yi; Zhang, Luyao; Zhou, Chongwu
  • Accounts of Chemical Research, Vol. 46, Issue 10
  • DOI: 10.1021/ar300203n

Calculation of the surface segregation of Ni-Cu alloys with the use of the embedded-atom method
journal, December 1985

Facile graphene transfer directly to target substrates with a reusable metal catalyst
journal, January 2015

Kinetics of the activated dissociative adsorption of methane on the low index planes of nickel single crystal surfaces
journal, August 1987

  • Beebe, Thomas P.; Goodman, D. Wayne; Kay, Bruce D.
  • The Journal of Chemical Physics, Vol. 87, Issue 4
  • DOI: 10.1063/1.453162

Role of Kinetic Factors in Chemical Vapor Deposition Synthesis of Uniform Large Area Graphene Using Copper Catalyst
journal, October 2010

  • Bhaviripudi, Sreekar; Jia, Xiaoting; Dresselhaus, Mildred S.
  • Nano Letters, Vol. 10, Issue 10, p. 4128-4133
  • DOI: 10.1021/nl102355e

Molecular dynamics simulation of graphene growth on Ni(100) facet by chemical vapor deposition
journal, January 2014

  • Rasuli, R.; Mostafavi, Kh.; Davoodi, J.
  • Journal of Applied Physics, Vol. 115, Issue 2
  • DOI: 10.1063/1.4862164

Synthesis, Transfer, and Devices of Single- and Few-Layer Graphene by Chemical Vapor Deposition
journal, March 2009

Bonding Mechanisms of Graphene on Metal Surfaces
journal, March 2012

  • Kozlov, Sergey M.; Viñes, Francesc; Görling, Andreas
  • The Journal of Physical Chemistry C, Vol. 116, Issue 13
  • DOI: 10.1021/jp210667f

Pseudopotentials periodic table: From H to Pu
journal, December 2014

Steam Reforming and Graphite Formation on Ni Catalysts
journal, July 2002

  • Bengaard, H. S.; Nørskov, J. K.; Sehested, J.
  • Journal of Catalysis, Vol. 209, Issue 2
  • DOI: 10.1006/jcat.2002.3579

Solubility and Diffusion Coefficient of Carbon in Nickel: Reaction Rates of Nickel‐Carbon Alloys with Barium Oxide
journal, December 1952

  • Lander, J. J.; Kern, H. E.; Beach, A. L.
  • Journal of Applied Physics, Vol. 23, Issue 12
  • DOI: 10.1063/1.1702064

An extended defect in graphene as a metallic wire
journal, March 2010

  • Lahiri, Jayeeta; Lin, You; Bozkurt, Pinar
  • Nature Nanotechnology, Vol. 5, Issue 5
  • DOI: 10.1038/nnano.2010.53

Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils
journal, May 2009

Segregation isosteres for carbon at the (100) surface of nickel
journal, January 1976

Electrochemical Delamination of CVD-Grown Graphene Film: Toward the Recyclable Use of Copper Catalyst
journal, November 2011

  • Wang, Yu; Zheng, Yi; Xu, Xiangfan
  • ACS Nano, Vol. 5, Issue 12
  • DOI: 10.1021/nn203700w

Graphene on Ni(111): Coexistence of Different Surface Structures
journal, March 2011

  • Zhao, Wei; Kozlov, Sergey M.; Höfert, Oliver
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 7
  • DOI: 10.1021/jz200043p

Synthesis of Large-Area Graphene Layers on Poly-Nickel Substrate by Chemical Vapor Deposition: Wrinkle Formation
journal, June 2009

  • Chae, Seung Jin; Güneş, Fethullah; Kim, Ki Kang
  • Advanced Materials, Vol. 21, Issue 22
  • DOI: 10.1002/adma.200803016

Binding energies of carbon to Ni(100) from equilibrium segregation studies
journal, February 1975

Large Area, Few-Layer Graphene Films on Arbitrary Substrates by Chemical Vapor Deposition
journal, January 2009

  • Reina, Alfonso; Jia, Xiaoting; Ho, John
  • Nano Letters, Vol. 9, Issue 1
  • DOI: 10.1021/nl801827v

Roll-to-roll production of 30-inch graphene films for transparent electrodes
journal, June 2010

  • Bae, Sukang; Kim, Hyeongkeun; Lee, Youngbin
  • Nature Nanotechnology, Vol. 5, Issue 8, p. 574-578
  • DOI: 10.1038/nnano.2010.132

Transfer of Large-Area Graphene Films for High-Performance Transparent Conductive Electrodes
journal, December 2009

  • Li, Xuesong; Zhu, Yanwu; Cai, Weiwei
  • Nano Letters, Vol. 9, Issue 12
  • DOI: 10.1021/nl902623y

Real-time imaging of adatom-promoted graphene growth on nickel
journal, March 2018

  • Patera, Laerte L.; Bianchini, Federico; Africh, Cristina
  • Science, Vol. 359, Issue 6381
  • DOI: 10.1126/science.aan8782

Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys
journal, June 1986

Perpendicular growth of carbon chains on graphene from first-principles
journal, June 2011

Graphene segregated on Ni surfaces and transferred to insulators
journal, September 2008

  • Yu, Qingkai; Lian, Jie; Siriponglert, Sujitra
  • Applied Physics Letters, Vol. 93, Issue 11
  • DOI: 10.1063/1.2982585

Evolution of Graphene Growth on Ni and Cu by Carbon Isotope Labeling
journal, December 2009

  • Li, Xuesong; Cai, Weiwei; Colombo, Luigi
  • Nano Letters, Vol. 9, Issue 12
  • DOI: 10.1021/nl902515k

Epitaxial growth mechanisms of graphene and effects of substrates
journal, June 2012

Experimental and theoretical study of the morphology of commensurate and incommensurate graphene layers on Ni single-crystal surfaces
journal, August 2008

Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel
journal, February 2010

  • Mueller, Jonathan E.; van Duin, Adri C. T.; Goddard, William A.
  • The Journal of Physical Chemistry C, Vol. 114, Issue 11
  • DOI: 10.1021/jp9035056

Contrasting Behavior of Carbon Nucleation in the Initial Stages of Graphene Epitaxial Growth on Stepped Metal Surfaces
journal, May 2010

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

Large-Area Growth of Turbostratic Graphene on Ni(111) via Physical Vapor Deposition
journal, January 2016

  • Garlow, Joseph A.; Barrett, Lawrence K.; Wu, Lijun
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep19804

Atomic structure of monolayer graphite formed on Ni(111)
journal, March 1997

Inhomogeneous Electron Gas
journal, November 1964

Binding of carbon atoms at a stepped−Ni surface
journal, January 1975

  • Isett, L. C.; Blakely, J. M.
  • Journal of Vacuum Science and Technology, Vol. 12, Issue 1
  • DOI: 10.1116/1.568723

Atomic-Scale Quantification of Grain Boundary Segregation in Nanocrystalline Material
journal, March 2014

Novel Growth Mechanism of Epitaxial Graphene on Metals
journal, May 2011

  • Zangwill, Andrew; Vvedensky, Dimitri D.
  • Nano Letters, Vol. 11, Issue 5
  • DOI: 10.1021/nl2006005

Fast growth of inch-sized single-crystalline graphene from a controlled single nucleus on Cu–Ni alloys
journal, November 2015

  • Wu, Tianru; Zhang, Xuefu; Yuan, Qinghong
  • Nature Materials, Vol. 15, Issue 1
  • DOI: 10.1038/nmat4477

Wafer scale catalytic growth of graphene on nickel by solid carbon source
journal, January 2014

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

Segregation of Carbon to the (100) Surface of Nickel
journal, May 1970

  • Blakely, J. M.; Kim, J. S.; Potter, H. C.
  • Journal of Applied Physics, Vol. 41, Issue 6
  • DOI: 10.1063/1.1659283

Large-scale pattern growth of graphene films for stretchable transparent electrodes
journal, January 2009

Repeated growth and bubbling transfer of graphene with millimetre-size single-crystal grains using platinum
journal, January 2012

  • Gao, Libo; Ren, Wencai; Xu, Huilong
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1702

Adsorption-Induced Restructuring and Early Stages of Carbon-Nanotube Growth on Ni Nanoparticles
journal, November 2012

  • Wang, Yuexia; Barcaro, Giovanni; Negreiros, Fabio R.
  • Chemistry - A European Journal, Vol. 19, Issue 1
  • DOI: 10.1002/chem.201201331

Atomic Scale Identification of Coexisting Graphene Structures on Ni(111)
journal, January 2014

  • Bianchini, Federico; Patera, Laerte L.; Peressi, Maria
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 3
  • DOI: 10.1021/jz402609d

In Situ Characterization of Alloy Catalysts for Low-Temperature Graphene Growth
journal, October 2011

  • Weatherup, Robert S.; Bayer, Bernhard C.; Blume, Raoul
  • Nano Letters, Vol. 11, Issue 10, p. 4154-4160
  • DOI: 10.1021/nl202036y

Determination of graphitic carbon structure adsorbed on Ni(110) by surface extended energy-loss fine-structure analysis
journal, February 1984

Computational study of carbon segregation and diffusion within a nickel grain boundary
journal, January 2005

Graphene on nickel (100) micrograins: Modulating the interface interaction by extended moiré superstructures
journal, April 2018

Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis
journal, August 2008

  • Wiltner, A.; Linsmeier, Ch.; Jacob, T.
  • The Journal of Chemical Physics, Vol. 129, Issue 8
  • DOI: 10.1063/1.2971177

Growth of large-area single- and Bi-layer graphene by controlled carbon precipitation on polycrystalline Ni surfaces
journal, June 2009

Sequential synthesis of free-standing high quality bilayer graphene from recycled nickel foil
journal, January 2016

Fine Structure Constant Defines Visual Transparency of Graphene
journal, June 2008