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Volumn 25, Issue 43, 2013, Pages

Enhanced reduction of graphene oxide by means of charging and electric fields applied to hydroxyl groups

Author keywords

[No Author keywords available]

Indexed keywords

BOUND WATER MOLECULES; CLOSE PROXIMITY; DIFFUSION PATHS; EQUILIBRIUM BINDING; EQUILIBRIUM PROPERTIES; FIRST-PRINCIPLES STUDY; NEGATIVE CHARGING; NEGATIVELY CHARGED;

EID: 84886882151     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/43/435304     Document Type: Article
Times cited : (20)

References (58)
  • 4
    • 69149094586 scopus 로고    scopus 로고
    • Structural and electronic properties of oxidized graphene
    • 10.1103/PhysRevLett.103.086802 086802
    • Yan J, Xian L and Chou M Y 2009 Structural and electronic properties of oxidized graphene Phys. Rev. Lett. 103 086802
    • (2009) Phys. Rev. Lett. , vol.103
    • Yan, J.1    Xian, L.2    Chou, M.Y.3
  • 5
    • 77957719780 scopus 로고    scopus 로고
    • Oxidation functional groups on graphene: Structural and electronic properties
    • 10.1103/PhysRevB.82.125403 B 125403
    • Yan J A and Chou M Y 2010 Oxidation functional groups on graphene: structural and electronic properties Phys. Rev. B 82 125403
    • (2010) Phys. Rev. , vol.82
    • Yan, J.A.1    Chou, M.Y.2
  • 6
    • 78149265635 scopus 로고    scopus 로고
    • Stability of graphene oxide phases from first-principles calculations
    • 10.1103/PhysRevB.82.161406 B 161406
    • Wang L, Sun Y Y, Lee K, West D, Chen Z F, Zhao J J and Zhang S B 2010 Stability of graphene oxide phases from first-principles calculations Phys. Rev. B 82 161406
    • (2010) Phys. Rev. , vol.82
    • Wang, L.1    Sun, Y.Y.2    Lee, K.3    West, D.4    Chen, Z.F.5    Zhao, J.J.6    Zhang, S.B.7
  • 7
    • 77953981837 scopus 로고    scopus 로고
    • Structural evolution during the reduction of chemically derived graphene oxide
    • 10.1038/nchem.686
    • Bagri A, Mattevi C, Acik M, Chabal Y J, Chhowalla M and Shenoy V B 2010 Structural evolution during the reduction of chemically derived graphene oxide Nature Chem. 2 581-7
    • (2010) Nature Chem. , vol.2 , pp. 581-587
    • Bagri, A.1    Mattevi, C.2    Acik, M.3    Chabal, Y.J.4    Chhowalla, M.5    Shenoy, V.B.6
  • 8
    • 77956727545 scopus 로고    scopus 로고
    • Structural motifs in oxidized graphene: A genetic algorithm study based on density functional theory
    • 10.1103/PhysRevB.82.035416 B 035416
    • Xiang H J, Wei S H and Gong X G 2010 Structural motifs in oxidized graphene: a genetic algorithm study based on density functional theory Phys. Rev. B 82 035416
    • (2010) Phys. Rev. , vol.82
    • Xiang, H.J.1    Wei, S.H.2    Gong, X.G.3
  • 9
    • 78650270811 scopus 로고    scopus 로고
    • First principle study of hydroxyl functional groups on pristine, defected graphene and graphene epoxide
    • 1089-5639
    • Ghaderi N and Pressi M 2010 First principle study of hydroxyl functional groups on pristine, defected graphene and graphene epoxide J. Phys. Chem. 114 21625-30
    • (2010) J. Phys. Chem. , vol.114 , pp. 21625-21630
    • Ghaderi, N.1    Pressi, M.2
  • 10
    • 84555220410 scopus 로고    scopus 로고
    • Evidence of nanocrystalline semiconducting graphene monoxide during thermal reduction of graphene oxide in vacuum
    • 10.1021/nn203160n
    • Mattson E C et al 2011 Evidence of nanocrystalline semiconducting graphene monoxide during thermal reduction of graphene oxide in vacuum ACS Nano 5 9710-7
    • (2011) ACS Nano , vol.5 , pp. 9710-9717
    • Mattson, E.C.1
  • 11
    • 84860655534 scopus 로고    scopus 로고
    • The reduction of graphene oxide
    • 10.1016/j.carbon.2011.11.010
    • Pei S and Cheng H 2012 The reduction of graphene oxide Carbon 50 3210-28
    • (2012) Carbon , vol.50 , pp. 3210-3228
    • Pei, S.1    Cheng, H.2
  • 12
    • 84859144391 scopus 로고    scopus 로고
    • Graphene oxide and its reduction: Modeling and experimental progress
    • 10.1039/c2ra00663d
    • Mao S, Pu H and Chen J 2012 Graphene oxide and its reduction: modeling and experimental progress RSC Adv. 2 2643-62
    • (2012) RSC Adv. , vol.2 , pp. 2643-2662
    • Mao, S.1    Pu, H.2    Chen, J.3
  • 13
    • 84858972242 scopus 로고    scopus 로고
    • Oxygen density dependent band gap of reduced graphene oxide
    • 10.1063/1.3694665 054317
    • Huang H, Li Z, She J and Wang W 2012 Oxygen density dependent band gap of reduced graphene oxide J. Appl. Phys. 111 054317
    • (2012) J. Appl. Phys. , vol.111
    • Huang, H.1    Li, Z.2    She, J.3    Wang, W.4
  • 15
    • 84855761128 scopus 로고    scopus 로고
    • Mechanisms for oxidative unzipping and cutting of graphene
    • 10.1021/nl202656c
    • Sun T and Fabris S 2012 Mechanisms for oxidative unzipping and cutting of graphene Nano Lett. 12 17-21
    • (2012) Nano Lett. , vol.12 , pp. 17-21
    • Sun, T.1    Fabris, S.2
  • 16
    • 84869010204 scopus 로고    scopus 로고
    • Domain formation on oxidized graphene
    • 10.1103/PhysRevB.86.205402 B 205402
    • Topsakal M and Ciraci S 2012 Domain formation on oxidized graphene Phys. Rev. B 86 205402
    • (2012) Phys. Rev. , vol.86
    • Topsakal, M.1    Ciraci, S.2
  • 17
    • 84875477678 scopus 로고    scopus 로고
    • Effects of charging and electric field on graphene oxide
    • 10.1021/jp310352u 1932-7447 C
    • Topsakal M, Gurel H H and Ciraci S 2013 Effects of charging and electric field on graphene oxide J. Phys. Chem. C 117 5943
    • (2013) J. Phys. Chem. , vol.117 , pp. 5943
    • Topsakal, M.1    Gurel, H.H.2    Ciraci, S.3
  • 20
    • 84860309367 scopus 로고    scopus 로고
    • Graphene coatings: An efficient protection from oxidation
    • 10.1103/PhysRevB.85.155445 B 155445
    • Topsakal M, Sahin H and Ciraci C 2012 Graphene coatings: an efficient protection from oxidation Phys. Rev. B 85 155445
    • (2012) Phys. Rev. , vol.85
    • Topsakal, M.1    Sahin, H.2    Ciraci, C.3
  • 21
    • 78649818103 scopus 로고    scopus 로고
    • Electric current induced reduction of graphene oxide and its application as gap electrodes in organic photoswitching devices
    • 10.1002/adma.201002312
    • Yao P P, Chen P L, Jiang L, Zhao H P, Zhu H F, Zhou D, Hu W P, Han B H and Liu M H 2010 Electric current induced reduction of graphene oxide and its application as gap electrodes in organic photoswitching devices Adv. Mater. 22 5008
    • (2010) Adv. Mater. , vol.22 , pp. 5008
    • Yao, P.P.1    Chen, P.L.2    Jiang, L.3    Zhao, H.P.4    Zhu, H.F.5    Zhou, D.6    Hu, W.P.7    Han, B.H.8    Liu, M.H.9
  • 22
    • 77953589078 scopus 로고    scopus 로고
    • Nanoscale tunable reduction of graphene oxide for graphene electronics
    • 10.1126/science.1188119
    • Wei Z et al 2010 Nanoscale tunable reduction of graphene oxide for graphene electronics Science 328 1373-137
    • (2010) Science , vol.328 , pp. 1373-1137
    • Wei, Z.1
  • 23
    • 79954558577 scopus 로고    scopus 로고
    • Reversible electrical reduction and oxidation of graphene oxide
    • 10.1021/nn1014215
    • Ekiz O O, Urel M, Guner H, Mizrak A K and Dana A 2011 Reversible electrical reduction and oxidation of graphene oxide ACS Nano 5 2475-82
    • (2011) ACS Nano , vol.5 , pp. 2475-2482
    • Ekiz, O.O.1    Urel, M.2    Guner, H.3    Mizrak, A.K.4    Dana, A.5
  • 24
    • 84857378964 scopus 로고    scopus 로고
    • A first principles study of the effect of charge doping on the 1D polymerization of C60
    • 10.1088/0953-8984/24/9/095501 0953-8984 095501
    • Poloni R, Miguel A S and Fernandez-Serra M V 2012 A first principles study of the effect of charge doping on the 1D polymerization of C60 J. Phys.: Condens. Matter 24 095501
    • (2012) J. Phys.: Condens. Matter , vol.24 , Issue.9
    • Poloni, R.1    Miguel, A.S.2    Fernandez-Serra, M.V.3
  • 25
    • 77951044900 scopus 로고    scopus 로고
    • Doped graphene as tunable electron-phonon coupling material
    • 10.1021/nl9034626
    • Attaccalite C, Wirtz L, Lazzeri M, Mauri F and Rubio A 2010 Doped graphene as tunable electron-phonon coupling material Nano Lett. 10 1172-6
    • (2010) Nano Lett. , vol.10 , pp. 1172-1176
    • Attaccalite, C.1    Wirtz, L.2    Lazzeri, M.3    Mauri, F.4    Rubio, A.5
  • 26
    • 34447127776 scopus 로고    scopus 로고
    • DFTB+, a sparse matrix-based implementation of the DFTB method
    • DOI 10.1021/jp070186p
    • Aradi B, Hourahine B and Frauenheim T 2007 DFTB+, a sparse matrix-based implementation of the DFTB method J. Phys. Chem. A 111 5678-84 (Pubitemid 47166771)
    • (2007) Journal of Physical Chemistry A , vol.111 , Issue.26 , pp. 5678-5684
    • Aradi, B.1    Hourahine, B.2    Frauenheim, Th.3
  • 27
    • 74149089601 scopus 로고    scopus 로고
    • Transformation of graphene into graphane in the absence of hydrogen
    • 10.1016/j.carbon.2009.11.015
    • Bernard A S and Snook I K 2010 Transformation of graphene into graphane in the absence of hydrogen Carbon 48 981-7
    • (2010) Carbon , vol.48 , pp. 981-987
    • Bernard, A.S.1    Snook, I.K.2
  • 28
    • 34447260582 scopus 로고
    • An all-electron numerical method for solving the local density functional for polyatomic molecules
    • 10.1063/1.458452
    • Delley B 1990 An all-electron numerical method for solving the local density functional for polyatomic molecules J. Chem. Phys. 92 508-17
    • (1990) J. Chem. Phys. , vol.92 , pp. 508-517
    • Delley, B.1
  • 29
    • 84555179037 scopus 로고    scopus 로고
    • The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene
    • 10.1039/c1cp23153g 1463-9076
    • Ao Z M, Hernandez-Nieves A D, Peeters F M and Lia S 2012 The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene Phys. Chem. Chem. Phys. 14 1463-7
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 1463-1467
    • Ao, Z.M.1    Hernandez-Nieves, A.D.2    Peeters, F.M.3    Lia, S.4
  • 30
    • 79551617237 scopus 로고    scopus 로고
    • Gated adatoms on graphene studied with first-principles calculations
    • 10.1103/PhysRevB.83.035405 B 035405
    • Chan K T, Lee H and Cohen M L 2011 Gated adatoms on graphene studied with first-principles calculations Phys. Rev. B 83 035405
    • (2011) Phys. Rev. , vol.83
    • Chan, K.T.1    Lee, H.2    Cohen, M.L.3
  • 31
    • 78650578394 scopus 로고    scopus 로고
    • Gate-controlled ionization and screening of cobalt adatoms on a graphene surface
    • 10.1038/nphys1807
    • Brar V W et al 2011 Gate-controlled ionization and screening of cobalt adatoms on a graphene surface Nature Phys. 7 43
    • (2011) Nature Phys. , vol.7 , pp. 43
    • Brar, V.W.1
  • 32
    • 79958275409 scopus 로고    scopus 로고
    • Gate voltage control of oxygen diffusion on graphene
    • 10.1103/PhysRevLett.106.146802 146802
    • Suarez A M, Radovic L R, Bar-Ziv E and Sofo J O 2011 Gate voltage control of oxygen diffusion on graphene Phys. Rev. Lett. 106 146802
    • (2011) Phys. Rev. Lett. , vol.106
    • Suarez, A.M.1    Radovic, L.R.2    Bar-Ziv, E.3    Sofo, J.O.4
  • 33
    • 0001671054 scopus 로고
    • Periodic boundary conditions in ab initio calculations
    • 10.1103/PhysRevB.51.4014 0163-1829 B
    • Makov G and Payne M C 1995 Periodic boundary conditions in ab initio calculations Phys. Rev. B 51 4014-22
    • (1995) Phys. Rev. , vol.51 , pp. 4014-4022
    • Makov, G.1    Payne, M.C.2
  • 34
    • 79953742983 scopus 로고    scopus 로고
    • Static charging of graphene and graphite slabs
    • 10.1063/1.3573806 131908
    • Topsakal M and Ciraci S 2011 Static charging of graphene and graphite slabs Appl. Phys. Lett. 98 131908
    • (2011) Appl. Phys. Lett. , vol.98
    • Topsakal, M.1    Ciraci, S.2
  • 35
    • 84856427874 scopus 로고    scopus 로고
    • Effects of static charging and exfoliation of layered crystals
    • 10.1103/PhysRevB.85.045121 B 045121
    • Topsakal M and Ciraci S 2012 Effects of static charging and exfoliation of layered crystals Phys. Rev. B 85 045121
    • (2012) Phys. Rev. , vol.85
    • Topsakal, M.1    Ciraci, S.2
  • 36
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • 10.1103/PhysRev.136.B864
    • Hohenberg P and Kohn W 1964 Inhomogeneous electron gas Phys. Rev. 136 B864
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 37
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • 10.1103/PhysRev.140.A1133
    • Kohn W and Sham L J 1965 Self-consistent equations including exchange and correlation effects Phys. Rev. 140 A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 38
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew J P, Burke K and Ernzerhof M 1996 Generalized gradient approximation made simple Phys. Rev. Lett. 77 3865-8 (Pubitemid 126631804)
    • (1996) Physical Review Letters , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 39
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • 10.1103/PhysRevB.13.5188 0556-2805 B
    • Monkhorst H J and Pack J D 1976 Special points for Brillouin-zone integrations Phys. Rev. B 13 5188
    • (1976) Phys. Rev. , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 40
    • 33645426115 scopus 로고
    • Efficient pseudopotentials for planewave calculations
    • 10.1103/PhysRevB.43.1993 0163-1829 B
    • Troullier N and Martins J L 1991 Efficient pseudopotentials for planewave calculations Phys. Rev. B 43 1993
    • (1991) Phys. Rev. , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.L.2
  • 42
    • 84872833927 scopus 로고    scopus 로고
    • Adsorbtion capacity of H2O,NH3,CO,NO2 on pristine graphene
    • 10.1063/1.4776239 034306
    • Lin X, Ni J and Fang C 2013 Adsorbtion capacity of H2O,NH3,CO,NO2 on pristine graphene J. Appl. Phys. 113 034306
    • (2013) J. Appl. Phys. , vol.113
    • Lin, X.1    Ni, J.2    Fang, C.3
  • 43
    • 41549123976 scopus 로고    scopus 로고
    • Adsorption of H2O,NH3,CO,NO2, and NO on graphene: A first-principles study
    • 10.1103/PhysRevB.77.125416 B 125416
    • Leenaerts O, Partoens B and Peeters F M 2007 Adsorption of H2O,NH3,CO,NO2, and NO on graphene: a first-principles study Phys. Rev. B 77 125416
    • (2007) Phys. Rev. , vol.77
    • Leenaerts, O.1    Partoens, B.2    Peeters, F.M.3
  • 45
    • 33745034279 scopus 로고    scopus 로고
    • Evolution of surface functional groups in a series of progressively oxidized graphite oxides
    • DOI 10.1021/cm060258+
    • Szabo T, Berkesi O, Forgo P, Josepovits K, Sanakis Y, Petridis D and Dekany I 2006 Evolution of surface functional groups in a series of progressively oxidized graphite oxides Chem. Mater. 18 2740-9 (Pubitemid 43869925)
    • (2006) Chemistry of Materials , vol.18 , Issue.11 , pp. 2740-2749
    • Szabo, T.1    Berkesi, O.2    Forgo, P.3    Josepovits, K.4    Sanakis, Y.5    Petridis, D.6    Dekany, I.7
  • 46
    • 5744236335 scopus 로고    scopus 로고
    • Quantum study of hydrogen oxygen graphite interactions
    • 10.1016/j.carbon.2004.08.001
    • Jelea A, Marinelli F, Ferro Y, Allouche A and Brosset C 2004 Quantum study of hydrogen oxygen graphite interactions Carbon 42 3189-98
    • (2004) Carbon , vol.42 , pp. 3189-3198
    • Jelea, A.1    Marinelli, F.2    Ferro, Y.3    Allouche, A.4    Brosset, C.5
  • 47
    • 65349092746 scopus 로고    scopus 로고
    • Density functional theory study of graphite oxide for different oxidation levels
    • 10.1103/PhysRevB.79.125435 B 125435
    • Lahaye R J W E, Jeong H K, Park C Y and Lee Y H 2009 Density functional theory study of graphite oxide for different oxidation levels Phys. Rev. B 79 125435
    • (2009) Phys. Rev. , vol.79
    • Lahaye, R.J.W.E.1    Jeong, H.K.2    Park, C.Y.3    Lee, Y.H.4
  • 48
    • 69149105000 scopus 로고    scopus 로고
    • Epoxide reduction with hydrazine on graphene: A first principles study
    • 0301-0104 064704
    • Kim M C, Hwang G S and Ruoff R S J 2009 Epoxide reduction with hydrazine on graphene: a first principles study Chem. Phys. 131 064704
    • (2009) Chem. Phys. , vol.131
    • Kim, M.C.1    Hwang, G.S.2    Ruoff, R.S.J.3
  • 49
    • 33847345075 scopus 로고    scopus 로고
    • 2O on pristine and defective graphite (0001) surfaces: Reaction mechanisms and kinetics
    • DOI 10.1021/jp066142i
    • Xu S C, Irle S, Musaev D G and Lin M C J 2007 Quantum chemical study of the dissociative adsorption of OH and H2O on pristine and defective graphite (0001) surfaces: reaction mechanism and kinetics Phys. Chem. C 111 1355-65 (Pubitemid 46347081)
    • (2007) Journal of Physical Chemistry C , vol.111 , Issue.3 , pp. 1355-1365
    • Xu, S.C.1    Irle, S.2    Musaev, D.G.3    Lin, M.C.4
  • 50
    • 65349117503 scopus 로고    scopus 로고
    • Density functional investigation of thioepoxidated and thiolated graphene
    • 10.1021/jp808599w C
    • Denis P A J 2009 Density functional investigation of thioepoxidated and thiolated graphene Phys. Chem. C 113 5612-9
    • (2009) Phys. Chem. , vol.113 , pp. 5612-5619
    • Denis, P.A.J.1
  • 51
    • 79958234241 scopus 로고    scopus 로고
    • Stability and properties of two-dimensional graphene hydroxide
    • 10.1021/jz200398d
    • Zhu Q, Lu Y H and Jiang J Z 2011 Stability and properties of two-dimensional graphene hydroxide J. Phys. Chem. Lett. 2 1310-4
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 1310-1314
    • Zhu, Q.1    Lu, Y.H.2    Jiang, J.Z.3
  • 53
    • 0033613620 scopus 로고    scopus 로고
    • DFT investigation of the adsorption of atomic hydrogen on a cluster-model graphite surface
    • 10.1016/S0009-2614(98)01337-2 0009-2614
    • Jeloaica L and Sidis V 1999 DFT investigation of the adsorption of atomic hydrogen on a cluster-model graphite surface Chem. Phys. Lett. 300 157
    • (1999) Chem. Phys. Lett. , vol.300 , pp. 157
    • Jeloaica, L.1    Sidis, V.2
  • 54
    • 0037050248 scopus 로고    scopus 로고
    • First-principles study of the structural and energetic properties of H atoms on a graphite (0 0 0 1) surface
    • DOI 10.1016/S0039-6028(01)01602-8, PII S0039602801016028
    • Sha X and Jackson B 2002 First-principles study of the structural and energetic properties of H atoms on a graphite (0001) surface Surf. Sci. 496 318 (Pubitemid 34086338)
    • (2002) Surface Science , vol.496 , Issue.3 , pp. 318-330
    • Sha, X.1    Jackson, B.2
  • 57
    • 0000216001 scopus 로고
    • Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis
    • 10.1139/p80-159 0008-4204
    • Vosko S H, Wilk L and Nusair M 1980 Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Can. J. Phys. 58 1200
    • (1980) Can. J. Phys. , vol.58 , pp. 1200
    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
  • 58
    • 34347394730 scopus 로고    scopus 로고
    • Ab initio investigation of molecular hydrogen physisorbtion on graphene and carbon nanotubes
    • 10.1103/PhysRevB.75.245413 B 245413
    • Henwood D and Carey J D 2007 Ab initio investigation of molecular hydrogen physisorbtion on graphene and carbon nanotubes Phys. Rev. B 75 245413
    • (2007) Phys. Rev. , vol.75
    • Henwood, D.1    Carey, J.D.2


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