-
1
-
-
33744471173
-
Functionalized single graphene sheets derived from splitting graphite oxide
-
Sniepp, H. C.; Li, J.-L.; McAllister, M. C.; Sai, H.; Herrera-Alonso, M.; Adamson, D. H.; Prud'homme, R. K.; Car, R.; Saville, D. A.; Aksay, I. A. Functionalized single graphene sheets derived from splitting graphite oxide J. Phys. Chem. B 2006, 110, 8535-8539
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 8535-8539
-
-
Sniepp, H.C.1
Li, J.-L.2
McAllister, M.C.3
Sai, H.4
Herrera-Alonso, M.5
Adamson, D.H.6
Prud'Homme, R.K.7
Car, R.8
Saville, D.A.9
Aksay, I.A.10
-
2
-
-
33745192279
-
Oxygen-driven unzipping of graphitic materials
-
Li, J.-L.; Kudin, K. N.; McAllister, M. J.; Prudhomme, R. K.; Aksay, I. A.; Car, R. Oxygen-driven unzipping of graphitic materials Phys. Rev. Lett. 2006, 96 176101
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 176101
-
-
Li, J.-L.1
Kudin, K.N.2
McAllister, M.J.3
Prudhomme, R.K.4
Aksay, I.A.5
Car, R.6
-
4
-
-
69149094586
-
Structural and electronic properties of oxidized graphene
-
Yan, J.; Xian, L.; Chou, M. Y. Structural and electronic properties of oxidized graphene Phys. Rev. Lett. 2009, 103 086802
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 086802
-
-
Yan, J.1
Xian, L.2
Chou, M.Y.3
-
5
-
-
77957719780
-
Oxidation functional groups on graphene: Structural and electronic properties
-
Yan, J.-A.; Chou, M. Y. Oxidation functional groups on graphene: Structural and electronic properties Phys. Rev. B 2010, 82 125403
-
(2010)
Phys. Rev. B
, vol.82
, pp. 125403
-
-
Yan, J.-A.1
Chou, M.Y.2
-
6
-
-
78149265635
-
Stability of graphene oxide phases from first-principles calculations
-
Wang, L.; Sun, Y. Y.; Lee, K.; West, D.; Chen, Z. F.; Zhao, J. J.; Zhang, S. Stability of graphene oxide phases from first-principles calculations Phys. Rev. B 2010, 82 161406
-
(2010)
Phys. Rev. B
, vol.82
, pp. 161406
-
-
Wang, L.1
Sun, Y.Y.2
Lee, K.3
West, D.4
Chen, Z.F.5
Zhao, J.J.6
Zhang, S.7
-
7
-
-
77953981837
-
Structural evolution during the reduction of chemically derived graphene oxide
-
Bagri, A.; Mattevi, C.; Acik, M.; Chabal, Y. J.; Chhowalla, M.; Shenoy, V. B. Structural evolution during the reduction of chemically derived graphene oxide Nat. Chem. 2010, 2, 581-587
-
(2010)
Nat. 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
-
Structural motifs in oxidized graphene: A genetic algorithm study based on density functional theory
-
Xiang, H. J.; Wei, S.-H.; Gong, X. G. Structural motifs in oxidized graphene: A genetic algorithm study based on density functional theory Phys. Rev. B 2010, 82 035416
-
(2010)
Phys. Rev. B
, vol.82
, pp. 035416
-
-
Xiang, H.J.1
Wei, S.-H.2
Gong, X.G.3
-
9
-
-
84555220410
-
Evidence of nanocrystalline semiconducting graphene monoxide during thermal reduction of graphene oxide in vacuum
-
Mattson, E. C.; Pu, H.; Cui, S.; Schofield, M. A.; Rhim, S.; Lu, G.; Nasse, M. J.; Ruoff, R. S.; Weinert, M.; Gajdardziska-Josifovska, M.; Chen, J.; Hirschmugl, C. J. Evidence of nanocrystalline semiconducting graphene monoxide during thermal reduction of graphene oxide in vacuum ACS Nano 2011, 5, 9710-9717
-
(2011)
ACS Nano
, vol.5
, pp. 9710-9717
-
-
Mattson, E.C.1
Pu, H.2
Cui, S.3
Schofield, M.A.4
Rhim, S.5
Lu, G.6
Nasse, M.J.7
Ruoff, R.S.8
Weinert, M.9
Gajdardziska-Josifovska, M.10
Chen, J.11
Hirschmugl, C.J.12
-
10
-
-
80055024278
-
Dual path mechanism in the thermal reduction of graphene oxide
-
Larciprete, R.; Fabris, S.; Sun, T.; Lacovig, P.; Baraldi, A.; Lizzit, S. Dual path mechanism in the thermal reduction of graphene oxide J. Am. Chem. Soc. 2011, 133, 17315-17321
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 17315-17321
-
-
Larciprete, R.1
Fabris, S.2
Sun, T.3
Lacovig, P.4
Baraldi, A.5
Lizzit, S.6
-
11
-
-
84860655534
-
The reduction of graphene oxide
-
Pei, S.; Cheng, H. The reduction of graphene oxide Carbon 2012, 50, 3210-3228
-
(2012)
Carbon
, vol.50
, pp. 3210-3228
-
-
Pei, S.1
Cheng, H.2
-
12
-
-
84859144391
-
Graphene oxide and its reduction: Modeling and experimental progress
-
Mao, S.; Pu, H.; Chen, J. Graphene oxide and its reduction: Modeling and experimental progress RSC Adv. 2012, 2, 2643-2662
-
(2012)
RSC Adv.
, vol.2
, pp. 2643-2662
-
-
Mao, S.1
Pu, H.2
Chen, J.3
-
13
-
-
84858972242
-
Oxygen density dependent band gap of reduced graphene oxide
-
Huang, H.; Li, Z.; She, J.; Wang, W. Oxygen density dependent band gap of reduced graphene oxide J. Appl. Phys. 2012, 111 054317
-
(2012)
J. Appl. Phys.
, vol.111
, pp. 054317
-
-
Huang, H.1
Li, Z.2
She, J.3
Wang, W.4
-
14
-
-
84862753914
-
Room-temperature metastability of multilayer graphene oxide films
-
Kim, S.; Zhou, S.; Hu, Y.; Acik, M.; Chabal, Y. J.; Berger, C.; de Heer, W.; Bongiorno, A.; Riedo, E. Room-temperature metastability of multilayer graphene oxide films Nat. Mater. 2012, 11, 544-549
-
(2012)
Nat. Mater.
, vol.11
, pp. 544-549
-
-
Kim, S.1
Zhou, S.2
Hu, Y.3
Acik, M.4
Chabal, Y.J.5
Berger, C.6
De Heer, W.7
Bongiorno, A.8
Riedo, E.9
-
15
-
-
84855761128
-
Mechanisms for oxidative unzipping and cutting of graphene
-
Sun, T.; Fabris, S. Mechanisms for oxidative unzipping and cutting of graphene Nano Lett. 2012, 12, 17-21
-
(2012)
Nano Lett.
, vol.12
, pp. 17-21
-
-
Sun, T.1
Fabris, S.2
-
16
-
-
84869010204
-
Domain formation on oxidized graphene
-
Topsakal, M.; Ciraci, S. Domain formation on oxidized graphene Phys. Rev. B 2012, 86 205402
-
(2012)
Phys. Rev. B
, vol.86
, pp. 205402
-
-
Topsakal, M.1
Ciraci, S.2
-
17
-
-
7444220645
-
Electric field effect in atomically thin carbon films
-
Novoselov, K.; Geim, A.; Morozov, S.; Jiang, D.; Zhang, Y.; Dubonos, S.; Grigorieva, I.; Firsov, A. Electric field effect in atomically thin carbon films Science 2004, 306, 666-669
-
(2004)
Science
, vol.306
, pp. 666-669
-
-
Novoselov, K.1
Geim, A.2
Morozov, S.3
Jiang, D.4
Zhang, Y.5
Dubonos, S.6
Grigorieva, I.7
Firsov, A.8
-
18
-
-
34547199896
-
Preparation and characterization of graphene oxide paper
-
Dikin, D. A.; Stankovich, S.; Zimney, E. J.; Piner, R.; Dommett, G. H. B.; Evmenenko, G.; Nguyen, S. T.; Ruoff, R. S. Preparation and characterization of graphene oxide paper Nature 2007, 448, 457-460
-
(2007)
Nature
, vol.448
, pp. 457-460
-
-
Dikin, D.A.1
Stankovich, S.2
Zimney, E.J.3
Piner, R.4
Dommett, G.H.B.5
Evmenenko, G.6
Nguyen, S.T.7
Ruoff, R.S.8
-
19
-
-
84860309367
-
Graphene coatings: An efficient protection from oxidation
-
Topsakal, M.; Sahin, H.; Ciraci, C. Graphene coatings: An efficient protection from oxidation Phys. Rev. B 2012, 85 155445
-
(2012)
Phys. Rev. B
, vol.85
, pp. 155445
-
-
Topsakal, M.1
Sahin, H.2
Ciraci, C.3
-
20
-
-
77953589078
-
Nanoscale tunable reduction of graphene oxide for graphene electronics
-
Wei, Z.; Wang, D.; Kim, S.; Kim, S.-Y.; Hu, Y.; Yakes, M. K.; Laracuente, A. R.; Dai, Z.; Marder, S. R.; Berger, C.; King, W. P.; de Heer, W. A.; Sheehan, P. E.; Riedo, E. Nanoscale tunable reduction of graphene oxide for graphene electronics Science 2010, 328, 1373-1376
-
(2010)
Science
, vol.328
, pp. 1373-1376
-
-
Wei, Z.1
Wang, D.2
Kim, S.3
Kim, S.-Y.4
Hu, Y.5
Yakes, M.K.6
Laracuente, A.R.7
Dai, Z.8
Marder, S.R.9
Berger, C.10
King, W.P.11
De Heer, W.A.12
Sheehan, P.E.13
Riedo, E.14
-
21
-
-
73949133512
-
Microstructuring of graphene oxide nanosheets using direct laser writing
-
Zhou, Y.; Bao, Q.; Varghese, B.; Tang, L. A. L.; Tan, C. K.; Sow, C.-H.; Loh, K. P. Microstructuring of graphene oxide nanosheets using direct laser writing Adv. Mater. 2010, 22, 67-71
-
(2010)
Adv. Mater.
, vol.22
, pp. 67-71
-
-
Zhou, Y.1
Bao, Q.2
Varghese, B.3
Tang, L.A.L.4
Tan, C.K.5
Sow, C.-H.6
Loh, K.P.7
-
22
-
-
79954558577
-
Reversible electrical reduction and oxidation of graphene oxide
-
Ekiz, O. O.; Urel, M.; Guner, H.; Mizrak, A. K.; Dana, A. Reversible electrical reduction and oxidation of graphene oxide ACS Nano 2011, 5, 2475-2482
-
(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
-
23
-
-
33750559983
-
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
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787
-
-
Grimme, S.1
-
24
-
-
84857378964
-
A first-principles study of the effect of charge doping on the 1D polymerization of C60
-
Poloni, R.; Miguel, A. S.; Fernandez-Serra, M. V. A first-principles study of the effect of charge doping on the 1D polymerization of C60 J. Phys.: Condens. Matter 2012, 24 095501
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 095501
-
-
Poloni, R.1
Miguel, A.S.2
Fernandez-Serra, M.V.3
-
25
-
-
77951044900
-
Doped graphene as tunable electron-phonon coupling material
-
Attaccalite, C.; Wirtz, L.; Lazzeri, M.; Mauri, F.; Rubio, A. Doped graphene as tunable electron-phonon coupling material Nano Lett. 2010, 10, 1172-1176
-
(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
-
DFTB+, a sparse matrix-based implementation of the DFTB method
-
Aradi, B.; Hourahine, B.; Frauenheim, T. DFTB+, a sparse matrix-based implementation of the DFTB method J. Phys. Chem. A 2007, 111, 5678-5684
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 5678-5684
-
-
Aradi, B.1
Hourahine, B.2
Frauenheim, T.3
-
27
-
-
1542779956
-
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
-
Elstner, M.; Porezag, D.; Jungnickel, G.; Elsner, J.; Haugk, M.; Frauenheim, Th.; Suhai, S.; Seifert, G. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties Phys. Rev. B 1998, 58, 7260-7268
-
(1998)
Phys. Rev. B
, vol.58
, pp. 7260-7268
-
-
Elstner, M.1
Porezag, D.2
Jungnickel, G.3
Elsner, J.4
Haugk, M.5
Frauenheim, Th.6
Suhai, S.7
Seifert, G.8
-
28
-
-
74149089601
-
Transformation of graphene into graphane in the absence of hydrogen
-
Bernard, A. S.; Snook, I. K. Transformation of graphene into graphane in the absence of hydrogen Carbon 2010, 48, 981-987
-
(2010)
Carbon
, vol.48
, pp. 981-987
-
-
Bernard, A.S.1
Snook, I.K.2
-
29
-
-
34447260582
-
An all-electron numerical method for solving the local density functional for polyatomic molecules
-
Delley, B. An all-electron numerical method for solving the local density functional for polyatomic molecules J. Chem. Phys. 1990, 92, 508-517
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 508-517
-
-
Delley, B.1
-
30
-
-
84555179037
-
The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene
-
Ao, Z. M.; Hernandez-Nieves, A. D.; Peeters, F. M.; Lia, S. The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene Phys. Chem. Chem. Phys. 2012, 14, 1463-1467
-
(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
-
31
-
-
79551617237
-
Gated adatoms on graphene studied with first-principles calculations
-
Chan, K. T.; Lee, H.; Cohen, M. L. Gated adatoms on graphene studied with first-principles calculations Phys. Rev. B 2011, 83 035405
-
(2011)
Phys. Rev. B
, vol.83
, pp. 035405
-
-
Chan, K.T.1
Lee, H.2
Cohen, M.L.3
-
32
-
-
78650578394
-
Gate-controlled ionization and screening of cobalt adatoms on a graphene surface
-
Brar, V. W.; Decker, R.; Solowan, H.-M.; Wang, Y.; Maserati, L.; Chan, K. T.; Lee, H.; Girit, C. O.; Zettl, A.; Louie, S. G.; Cohen, M. L.; Crommie, M. F. Gate-controlled ionization and screening of cobalt adatoms on a graphene surface Nat. Phys. 2011, 7, 43
-
(2011)
Nat. Phys.
, vol.7
, pp. 43
-
-
Brar, V.W.1
Decker, R.2
Solowan, H.-M.3
Wang, Y.4
Maserati, L.5
Chan, K.T.6
Lee, H.7
Girit, C.O.8
Zettl, A.9
Louie, S.G.10
Cohen, M.L.11
Crommie, M.F.12
-
33
-
-
79953742983
-
Static charging of graphene and graphite slabs
-
Topsakal, M.; Ciraci, S. Static charging of graphene and graphite slabs Appl. Phys. Lett. 2011, 98 131908
-
(2011)
Appl. Phys. Lett.
, vol.98
, pp. 131908
-
-
Topsakal, M.1
Ciraci, S.2
-
34
-
-
79958275409
-
Gate-voltage control of oxygen diffusion on graphene
-
Suarez, A. M.; Radovic, L. R.; Bar-Ziv, E.; Sofo, J. O. Gate-voltage control of oxygen diffusion on graphene Phys. Rev. Lett. 2011, 106 146802
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 146802
-
-
Suarez, A.M.1
Radovic, L.R.2
Bar-Ziv, E.3
Sofo, J.O.4
-
35
-
-
0000934120
-
The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method
-
Leslie, M.; Gilan, N. J. The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method J. Phys. C 1985, 18, 973-975
-
(1985)
J. Phys. C
, vol.18
, pp. 973-975
-
-
Leslie, M.1
Gilan, N.J.2
-
36
-
-
0001671054
-
Periodic boundary conditions in ab initio calculations
-
Makov, G.; Payne, M. C. Periodic boundary conditions in ab initio calculations Phys. Rev. B 1995, 51, 4014-4022
-
(1995)
Phys. Rev. B
, vol.51
, pp. 4014-4022
-
-
Makov, G.1
Payne, M.C.2
-
37
-
-
25744460922
-
Projector augmented-wave method
-
Blochl, P. Projector augmented-wave method Phys. Rev. B 1994, 50, 17953-17979
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blochl, P.1
-
38
-
-
4243943295
-
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
-
39
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
Kresse, G.; Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 1996, 54, 11169-11186
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmuller, J.2
-
40
-
-
0037171091
-
The SIESTA method for ab initio order-n materials simulation
-
Soler, J. M.; Artacho, E.; Gale, J. D; Garcia, A.; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. The SIESTA method for ab initio order-n materials simulation J. Phys.: Condens. Matter 2002, 14 (11) 2745-2779
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, Issue.11
, pp. 2745-2779
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
41
-
-
33645426115
-
Efficient pseudopotentials for plane-wave calculations
-
Troullier, N.; Martins, J. L. Efficient pseudopotentials for plane-wave calculations Phys. Rev. B 1991, 43, 1993
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
42
-
-
84856427874
-
Effects of static charging and exfoliation of layered crystals
-
Topsakal, M.; Ciraci, S. Effects of static charging and exfoliation of layered crystals Phys. Rev. B 2012, 85, 045121
-
(2012)
Phys. Rev. B
, vol.85
, pp. 045121
-
-
Topsakal, M.1
Ciraci, S.2
-
44
-
-
45749127809
-
First-principles study of metal adatom adsorption on graphene
-
Chan, K. T.; Neaton, J. B.; Cohen, M. L. First-principles study of metal adatom adsorption on graphene Phys. Rev. B 2008, 77 235430
-
(2008)
Phys. Rev. B
, vol.77
, pp. 235430
-
-
Chan, K.T.1
Neaton, J.B.2
Cohen, M.L.3
-
45
-
-
33745753520
-
A Fast and robust algorithm for Bader decomposition of charge density
-
Henkelman, G.; Arnaldsson, A.; Jónsson, H. A Fast and robust algorithm for Bader decomposition of charge density Comput. Mater. Sci. 2006, 36, 254-260
-
(2006)
Comput. Mater. Sci.
, vol.36
, pp. 254-260
-
-
Henkelman, G.1
Arnaldsson, A.2
Jónsson, H.3
-
46
-
-
41949085799
-
Optimization methods for finding minimum energy paths
-
Sheppard, D.; Terrell, R.; Henkelman, G. Optimization methods for finding minimum energy paths J. Chem. Phys. 2008, 128 134106
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 134106
-
-
Sheppard, D.1
Terrell, R.2
Henkelman, G.3
-
47
-
-
67249122406
-
Two- and one-dimensional honeycomb structures of silicon and germanium
-
Cahangirov, S.; Topsakal, M.; Akturk, E.; Sahin, H.; Ciraci, S. Two- and one-dimensional honeycomb structures of silicon and germanium Phys. Rev. Lett. 2009, 102 236804
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 236804
-
-
Cahangirov, S.1
Topsakal, M.2
Akturk, E.3
Sahin, H.4
Ciraci, S.5
-
48
-
-
72449171191
-
Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations
-
Sahin, H.; Cahangirov, S.; Topsakal, M.; Bekaroglu, E.; Akturk, E.; Senger, R. T.; Ciraci, S. Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations Phys. Rev. B 2009, 80 155453
-
(2009)
Phys. Rev. B
, vol.80
, pp. 155453
-
-
Sahin, H.1
Cahangirov, S.2
Topsakal, M.3
Bekaroglu, E.4
Akturk, E.5
Senger, R.T.6
Ciraci, S.7
-
49
-
-
84860361457
-
Stable, single-layer MX2 transition-metal oxides and dichalcogenides in a honeycomb-like structure
-
Ataca, C.; Sahin, H.; Ciraci, S. Stable, single-layer MX2 transition-metal oxides and dichalcogenides in a honeycomb-like structure J. Phys. Chem. C 2012, 116, 8983-8999
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 8983-8999
-
-
Ataca, C.1
Sahin, H.2
Ciraci, S.3
-
50
-
-
78649818103
-
Electric current induced reduction of graphene oxide and its application as gap electrodes in organic photoswitching devices
-
Yao, P. P.; Chen, P. L.; Jiang, L.; Zhao, H. P.; Zhu, H. F.; Zhou, D.; Hu, W. P.; Han, B. H.; Liu, M. H. Electric current induced reduction of graphene oxide and its application as gap electrodes in organic photoswitching devices Adv. Mater. 2010, 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
|