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Volumn 117, Issue 24, 2013, Pages 12520-12525

Ab initio study of the friction mechanism of fluorographene and graphane

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC-SCALE FRICTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISPERSION CORRECTION; DISPERSION ENERGIES; FRICTION REDUCTION; INTERLAYER INTERACTIONS; INTERLAYER SPACINGS; REPULSIVE ELECTROSTATIC FORCE;

EID: 84879441195     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp401097a     Document Type: Article
Times cited : (93)

References (38)
  • 1
    • 0031079324 scopus 로고    scopus 로고
    • Observation of Superlubricity by Scanning Tunneling Microscopy
    • Hirano, M.; Shinjo, K.; Kaneko, R.; Murata, Y. Observation of Superlubricity by Scanning Tunneling Microscopy Phys. Rev. Lett. 1997, 78, 1448-1451
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1448-1451
    • Hirano, M.1    Shinjo, K.2    Kaneko, R.3    Murata, Y.4
  • 3
    • 77957986177 scopus 로고    scopus 로고
    • 3 (0001)/(0001) Interfaces: A First-Principles Molecular Dynamics Study
    • 3 (0001)/(0001) Interfaces: A First-Principles Molecular Dynamics Study J. Phys. Chem. C 2010, 114, 17709-17719
    • (2010) J. Phys. Chem. C , vol.114 , pp. 17709-17719
    • Carkner, C.J.1    Mosey, N.J.2
  • 6
    • 14944347149 scopus 로고    scopus 로고
    • Atomic Scale Study of Superlow Friction between Hydrogenated Diamond Surfaces
    • Dag, S.; Ciraci, S. Atomic Scale Study of Superlow Friction between Hydrogenated Diamond Surfaces Phys. Rev. B 2004, 70, 241401
    • (2004) Phys. Rev. B , vol.70 , pp. 241401
    • Dag, S.1    Ciraci, S.2
  • 7
    • 72649083029 scopus 로고    scopus 로고
    • Fullerence-Like Hydrogenated Carbon Films with Super-Low Friction and Wear, and Low Sensitivity to Environment
    • Ji, L.; Li, H.; Zhao, F.; Quan, W. L.; Chen, J. M.; Zhou, H. D. Fullerence-Like Hydrogenated Carbon Films with Super-Low Friction and Wear, and Low Sensitivity to Environment J. Phys. D: Appl. Phys. 2010, 43, 015404
    • (2010) J. Phys. D: Appl. Phys. , vol.43 , pp. 015404
    • Ji, L.1    Li, H.2    Zhao, F.3    Quan, W.L.4    Chen, J.M.5    Zhou, H.D.6
  • 8
    • 69049108899 scopus 로고    scopus 로고
    • Surface and Frictional Properties of Two-Component Alkylsilane Monolayers and Hydroxyl-Terminated Monolayers on Silicon
    • Vilt, S. G.; Leng, Z.; Booth, B. D.; McCabe, C.; Jennings, G. K. Surface and Frictional Properties of Two-Component Alkylsilane Monolayers and Hydroxyl-Terminated Monolayers on Silicon J. Phys. Chem. C 2009, 113, 14972-14977
    • (2009) J. Phys. Chem. C , vol.113 , pp. 14972-14977
    • Vilt, S.G.1    Leng, Z.2    Booth, B.D.3    McCabe, C.4    Jennings, G.K.5
  • 9
    • 84888025916 scopus 로고    scopus 로고
    • Nanotribological Properties of Fluorinated, Hydrogenated, and Oxidized Graphenes
    • Ko, J.-H.; Kwon, S.; Byun, I.-S.; Choi, J. S.; Park, B. H.; Kim, Y.-H.; Park, J. Y. Nanotribological Properties of Fluorinated, Hydrogenated, and Oxidized Graphenes Tribol. Lett. 2013, 50, 137-144
    • (2013) Tribol. Lett. , vol.50 , pp. 137-144
    • Ko, J.-H.1    Kwon, S.2    Byun, I.-S.3    Choi, J.S.4    Park, B.H.5    Kim, Y.-H.6    Park, J.Y.7
  • 11
    • 80051795391 scopus 로고    scopus 로고
    • Interaction between Two Graphene Sheets with a Turbostratic Orientational Relationship
    • Shibuta, Y.; Elliott, J. A. Interaction between Two Graphene Sheets with a Turbostratic Orientational Relationship Chem. Phys. Lett. 2011, 512, 146-150
    • (2011) Chem. Phys. Lett. , vol.512 , pp. 146-150
    • Shibuta, Y.1    Elliott, J.A.2
  • 12
    • 84856487154 scopus 로고    scopus 로고
    • Effect of Elastic Deformation on Frictional Properties of Few-Layer Graphene
    • Smolyanitsky, A.; Killgore, J. P.; Tewary, V. K. Effect of Elastic Deformation on Frictional Properties of Few-Layer Graphene Phys. Rev. B 2012, 85, 035412
    • (2012) Phys. Rev. B , vol.85 , pp. 035412
    • Smolyanitsky, A.1    Killgore, J.P.2    Tewary, V.K.3
  • 15
    • 77949673066 scopus 로고    scopus 로고
    • Effect of Trace Moisture on Friction
    • Liu, Y.; Szlufarska, I. Effect of Trace Moisture on Friction Appl. Phys. Lett. 2010, 96, 101902
    • (2010) Appl. Phys. Lett. , vol.96 , pp. 101902
    • Liu, Y.1    Szlufarska, I.2
  • 16
    • 84859360940 scopus 로고    scopus 로고
    • Friction of Diamond in the Presence of Water Vapor and Hydrogen Gas. Coupling Gas-Phase Lubrication and First-Principles Studies
    • Bouchet, M.-I.; De, B.; Zilibotti, G.; Matta, C.; Righi, M. C.; Vandenbulcke, L.; Vacher, B.; Martin, J.-M. Friction of Diamond in the Presence of Water Vapor and Hydrogen Gas. Coupling Gas-Phase Lubrication and First-Principles Studies J. Phys. Chem. C 2012, 116, 6966-6972
    • (2012) J. Phys. Chem. C , vol.116 , pp. 6966-6972
    • Bouchet, M.-I.1    De, B.2    Zilibotti, G.3    Matta, C.4    Righi, M.C.5    Vandenbulcke, L.6    Vacher, B.7    Martin, J.-M.8
  • 19
    • 84868211576 scopus 로고    scopus 로고
    • Theoretical Study of Superlow Friction between Two Single-Side Hydrogenated Graphene Sheets
    • Wang, J.; Wang, F.; Li, J.; Wang, S.; Song, Y.; Sun, Q.; Jia, Y. Theoretical Study of Superlow Friction between Two Single-Side Hydrogenated Graphene Sheets Tribol. Lett. 2012, 48, 255-261
    • (2012) Tribol. Lett. , vol.48 , pp. 255-261
    • Wang, J.1    Wang, F.2    Li, J.3    Wang, S.4    Song, Y.5    Sun, Q.6    Jia, Y.7
  • 21
    • 79953755922 scopus 로고    scopus 로고
    • Structural and Electronic Properties of Fluorographene
    • Samarakoon, D. K.; Chen, Z.; Nicolas, C.; Wang, X. Q. Structural and Electronic Properties of Fluorographene Small 2011, 7, 965-969
    • (2011) Small , vol.7 , pp. 965-969
    • Samarakoon, D.K.1    Chen, Z.2    Nicolas, C.3    Wang, X.Q.4
  • 22
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction
    • Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 23
    • 27744460065 scopus 로고
    • Ab Initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous- Semiconductor Transition in Germanium
    • Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 1994, 49, 14251-14269
    • (1994) Phys. Rev. B , vol.49 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 24
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficiency of ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 25
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 26
    • 25744460922 scopus 로고
    • Projector Augmented-Wave Method
    • Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 27
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 28
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 29
    • 79958014494 scopus 로고    scopus 로고
    • Ab Initio Calculation of the Adhesion and Ideal Shear Strength of Planar Diamond Interfaces with Different Atomic Structure and Hydrogen Coverage
    • Zilibotti, G.; Righi, M. C. Ab Initio Calculation of the Adhesion and Ideal Shear Strength of Planar Diamond Interfaces with Different Atomic Structure and Hydrogen Coverage Langmuir 2011, 27, 6862-6867
    • (2011) Langmuir , vol.27 , pp. 6862-6867
    • Zilibotti, G.1    Righi, M.C.2
  • 30
    • 84866997709 scopus 로고    scopus 로고
    • Atomic-Scale Friction in Graphene Oxide: An Interfacial Interaction Perspective from First-Principles Calculations
    • Wang, L. F.; Ma, T. B.; Hu, Y. Z.; Wang, H. Atomic-Scale Friction in Graphene Oxide: An Interfacial Interaction Perspective from First-Principles Calculations Phys. Rev. B 2012, 86, 125436
    • (2012) Phys. Rev. B , vol.86 , pp. 125436
    • Wang, L.F.1    Ma, T.B.2    Hu, Y.Z.3    Wang, H.4
  • 31
    • 77951581065 scopus 로고    scopus 로고
    • Structure and Layer Interaction in Carbon Monofluoride and Graphane: A Comparative Computational Study
    • Artyukhov, V. I.; Chernozatonskii, L. A. Structure and Layer Interaction in Carbon Monofluoride and Graphane: A Comparative Computational Study J. Phys. Chem. A 2010, 114, 5389-5396
    • (2010) J. Phys. Chem. A , vol.114 , pp. 5389-5396
    • Artyukhov, V.I.1    Chernozatonskii, L.A.2
  • 32
    • 33845558773 scopus 로고
    • Chemical Composition and Crystal Structure of Graphite Fluoride
    • Kita, Y.; Watanabe, N.; Fujii, Y. Chemical Composition and Crystal Structure of Graphite Fluoride J. Am. Chem. Soc. 1979, 101, 3832-3841
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 3832-3841
    • Kita, Y.1    Watanabe, N.2    Fujii, Y.3
  • 33
    • 35648964797 scopus 로고    scopus 로고
    • Modifying Atomic-Scale Friction between Two Graphene Sheets: A Molecular-Force-Field Study
    • Guo, Y.; Guo, W.; Chen, C. Modifying Atomic-Scale Friction between Two Graphene Sheets: A Molecular-Force-Field Study Phys. Rev. B 2007, 76, 155429
    • (2007) Phys. Rev. B , vol.76 , pp. 155429
    • Guo, Y.1    Guo, W.2    Chen, C.3
  • 34
    • 79959212008 scopus 로고    scopus 로고
    • Vanishing Stick-Slip Friction in Few-Layer Graphenes: The Thickness Effect
    • Xu, L.; Ma, T. B.; Hu, Y. Z.; Wang, H. Vanishing Stick-Slip Friction in Few-Layer Graphenes: The Thickness Effect Nanotechnology 2011, 22, 285708
    • (2011) Nanotechnology , vol.22 , pp. 285708
    • Xu, L.1    Ma, T.B.2    Hu, Y.Z.3    Wang, H.4
  • 35
    • 7644219623 scopus 로고    scopus 로고
    • Genesis of Superlow Friction and Wear in Diamondlike Carbon Films
    • Erdemir, A. Genesis of Superlow Friction and Wear in Diamondlike Carbon Films Tribol. Int. 2004, 37, 1005-1012
    • (2004) Tribol. Int. , vol.37 , pp. 1005-1012
    • Erdemir, A.1
  • 36
    • 79952361606 scopus 로고    scopus 로고
    • Material Transfer Mechanisms between Aluminum and Fluorinated Carbon Interfaces
    • Sen, F. G.; Qi, Y.; Alpas, A. T. Material Transfer Mechanisms between Aluminum and Fluorinated Carbon Interfaces Acta Mater. 2011, 59, 2601-2614
    • (2011) Acta Mater. , vol.59 , pp. 2601-2614
    • Sen, F.G.1    Qi, Y.2    Alpas, A.T.3
  • 37
    • 84862273815 scopus 로고    scopus 로고
    • Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation
    • Bai, S.; Onodera, T.; Nagumo, R.; Miura, R.; Suzuki, A.; Tsuboi, H.; Hatakeyama, N.; Takaba, H.; Kubo, M.; Miyamoto, A. Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation J. Phys. Chem. C 2012, 116, 12559-12565
    • (2012) J. Phys. Chem. C , vol.116 , pp. 12559-12565
    • Bai, S.1    Onodera, T.2    Nagumo, R.3    Miura, R.4    Suzuki, A.5    Tsuboi, H.6    Hatakeyama, N.7    Takaba, H.8    Kubo, M.9    Miyamoto, A.10
  • 38
    • 10144255884 scopus 로고    scopus 로고
    • Superlow Friction of Diamond-Like Carbon Films: A Relation to Viscoplastic Properties
    • Fontaine, J.; Loubet, J. L.; Mogne, T.Le; Grill, A. Superlow Friction of Diamond-Like Carbon Films: A Relation to Viscoplastic Properties Tribol. Lett. 2004, 17, 709-714
    • (2004) Tribol. Lett. , vol.17 , pp. 709-714
    • Fontaine, J.1    Loubet, J.L.2    Mogne, T.L.3    Grill, A.4


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