-
1
-
-
84874093339
-
Recent Progress in Graphene-Based Nanomaterials as Advanced Electrocatalysts Towards Oxygen Reduction
-
Zhu, C.; Dong, S. Recent Progress in Graphene-Based Nanomaterials as Advanced Electrocatalysts Towards Oxygen Reduction Nanoscale 2013, 5, 1753-1767
-
(2013)
Nanoscale
, vol.5
, pp. 1753-1767
-
-
Zhu, C.1
Dong, S.2
-
2
-
-
84875415985
-
Recent Progress in Doped Carbon Nanomaterials as Effective Cathode Catalysts for Fuel Cell Oxygen Reduction Reaction
-
Yang, Z.; Nie, H.; Chen, X.; Chen, X.; Huang, S. Recent Progress in Doped Carbon Nanomaterials as Effective Cathode Catalysts for Fuel Cell Oxygen Reduction Reaction J. Power Sources 2013, 236, 238-249
-
(2013)
J. Power Sources
, vol.236
, pp. 238-249
-
-
Yang, Z.1
Nie, H.2
Chen, X.3
Chen, X.4
Huang, S.5
-
3
-
-
79951899670
-
Electron microscopy: The Challenges of Graphene
-
Urban, K. W. Electron microscopy: The Challenges of Graphene Nat. Mater. 2011, 10, 165-166
-
(2011)
Nat. Mater.
, vol.10
, pp. 165-166
-
-
Urban, K.W.1
-
4
-
-
59849084114
-
Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction
-
Gong, K.; Du, F.; Xia, Z.; Durstock, M.; Dai, L. Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction Science 2009, 323, 760-764
-
(2009)
Science
, vol.323
, pp. 760-764
-
-
Gong, K.1
Du, F.2
Xia, Z.3
Durstock, M.4
Dai, L.5
-
5
-
-
77950140364
-
Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells
-
Qu, L.; Liu, Y.; Baek, J.-B.; Dai, L. Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells ACS Nano 2010, 4, 1321-1326
-
(2010)
ACS Nano
, vol.4
, pp. 1321-1326
-
-
Qu, L.1
Liu, Y.2
Baek, J.-B.3
Dai, L.4
-
6
-
-
77955977655
-
Nitrogen-Doped Graphene and its Electrochemical Applications
-
Shao, Y.; Zhang, S.; Engelhard, M. H.; Li, G.; Shao, G.; Wang, Y.; Liu, J.; Aksayc, I. A.; Lin, Y. Nitrogen-Doped Graphene and its Electrochemical Applications J. Mater. Chem. 2010, 20, 7491-7496
-
(2010)
J. Mater. Chem.
, vol.20
, pp. 7491-7496
-
-
Shao, Y.1
Zhang, S.2
Engelhard, M.H.3
Li, G.4
Shao, G.5
Wang, Y.6
Liu, J.7
Aksayc, I.A.8
Lin, Y.9
-
7
-
-
84864243656
-
Raman Spectroscopy of Boron-Doped Single-Layer Graphene
-
Kim, Y. A.; Fujisawa, K.; Muramatsu, H.; Hayashi, T.; Endo, M.; Fujimori, T.; Kaneko, K.; Terrones, M.; Behrends, J.; Eckmann, A.; Casiraghi, C.; Novoselov, K. S.; Saito, R.; Dresselhaus, M. S. Raman Spectroscopy of Boron-Doped Single-Layer Graphene ACS Nano 2012, 6, 6293-6300
-
(2012)
ACS Nano
, vol.6
, pp. 6293-6300
-
-
Kim, Y.A.1
Fujisawa, K.2
Muramatsu, H.3
Hayashi, T.4
Endo, M.5
Fujimori, T.6
Kaneko, K.7
Terrones, M.8
Behrends, J.9
Eckmann, A.10
Casiraghi, C.11
Novoselov, K.S.12
Saito, R.13
Dresselhaus, M.S.14
-
8
-
-
83455220227
-
Synthesis of Boron Doped Graphene for Oxygen Reduction Reaction in Fuel Cells
-
Sheng, Z.-H.; Gao, H.-L.; Bao, W.-J.; Wang, F.-B.; Xia, X.-H. Synthesis of Boron Doped Graphene for Oxygen Reduction Reaction in Fuel Cells J. Mater. Chem. 2012, 22, 390-395
-
(2012)
J. Mater. Chem.
, vol.22
, pp. 390-395
-
-
Sheng, Z.-H.1
Gao, H.-L.2
Bao, W.-J.3
Wang, F.-B.4
Xia, X.-H.5
-
9
-
-
84877751404
-
Microscopic View on a Chemical Vapor Deposition Route to Boron-Doped Graphene Nanostructures
-
Cattelan, M.; Agnoli, S.; Favaro, M.; Garoli, D.; Romanato, F.; Meneghetti, M.; Berinov, A.; Dudin, P.; Granozzi, G. Microscopic View on a Chemical Vapor Deposition Route to Boron-Doped Graphene Nanostructures Chem. Mater. 2013, 25, 1490-1495
-
(2013)
Chem. Mater.
, vol.25
, pp. 1490-1495
-
-
Cattelan, M.1
Agnoli, S.2
Favaro, M.3
Garoli, D.4
Romanato, F.5
Meneghetti, M.6
Berinov, A.7
Dudin, P.8
Granozzi, G.9
-
10
-
-
84876223318
-
Synthesis of Boron-Doped Graphene Monolayers Using the Sole Solid Feedstock by Chemical Vapor Deposition
-
Wang, H.; Zhou, Y.; Wu, D.; Liao, L.; Zhao, S.; Peng, H.; Liu, Z. Synthesis of Boron-Doped Graphene Monolayers Using the Sole Solid Feedstock by Chemical Vapor Deposition Small 2013, 9, 1316-1320
-
(2013)
Small
, vol.9
, pp. 1316-1320
-
-
Wang, H.1
Zhou, Y.2
Wu, D.3
Liao, L.4
Zhao, S.5
Peng, H.6
Liu, Z.7
-
11
-
-
82455193271
-
Boron-Doped Carbon Nanotubes as Metal-Free Electrocatalysts for the Oxygen Reduction Reaction
-
Yang, L.; Jiang, S.; Zhao, Y.; Zhu, L.; Chen, S.; Wang, X.; Wu, Q.; Ma, J.; Ma, Y.; Hu, Z. Boron-Doped Carbon Nanotubes as Metal-Free Electrocatalysts for the Oxygen Reduction Reaction Angew. Chem. 2011, 123, 7270-7273
-
(2011)
Angew. Chem.
, vol.123
, pp. 7270-7273
-
-
Yang, L.1
Jiang, S.2
Zhao, Y.3
Zhu, L.4
Chen, S.5
Wang, X.6
Wu, Q.7
Ma, J.8
Ma, Y.9
Hu, Z.10
-
12
-
-
79961025906
-
Oxygen Reduction Reaction Mechanism on Nitrogen-Doped Graphene: A Density Functional Theory Study
-
Yu, L.; Pan, X.; Cao, X.; Hu, P.; Bao, X. Oxygen Reduction Reaction Mechanism on Nitrogen-Doped Graphene: A Density Functional Theory Study J. Catal. 2011, 282, 183-190
-
(2011)
J. Catal.
, vol.282
, pp. 183-190
-
-
Yu, L.1
Pan, X.2
Cao, X.3
Hu, P.4
Bao, X.5
-
13
-
-
84870714196
-
First-Principles Study of the Oxygen Adsorption and Dissociation on Graphene and Nitrogen Doped Graphene for Li-Air Batteries
-
Yan, H. J.; Xu, B.; Shi, S. Q.; Ouyang, C. Y. First-Principles Study of the Oxygen Adsorption and Dissociation on Graphene and Nitrogen Doped Graphene for Li-Air Batteries J. Appl. Phys. 2012, 112, 104316
-
(2012)
J. Appl. Phys.
, vol.112
, pp. 104316
-
-
Yan, H.J.1
Xu, B.2
Shi, S.Q.3
Ouyang, C.Y.4
-
14
-
-
84873390351
-
Doped Graphene as a Material for Oxygen Reduction Reaction in Hydrogen Fuel Cells: A Computational Study
-
Kaukonen, M.; Krasheninnikov, A. V.; Kauppinen, E.; Nieminen, R. M. Doped Graphene as a Material for Oxygen Reduction Reaction in Hydrogen Fuel Cells: A Computational Study ACS Catal. 2013, 3, 159-165
-
(2013)
ACS Catal.
, vol.3
, pp. 159-165
-
-
Kaukonen, M.1
Krasheninnikov, A.V.2
Kauppinen, E.3
Nieminen, R.M.4
-
15
-
-
84878039144
-
Oxygen Reduction Reaction on Active Sites of Heteroatom-Doped Graphene
-
Fan, X.; Zheng, W. T.; Kuo, J.-L. Oxygen Reduction Reaction on Active Sites of Heteroatom-Doped Graphene RSC Adv. 2013, 3, 5498-5505
-
(2013)
RSC Adv.
, vol.3
, pp. 5498-5505
-
-
Fan, X.1
Zheng, W.T.2
Kuo, J.-L.3
-
16
-
-
0035892146
-
Theoretical Study of Oxygen Adsorption on Graphite and the (8,0) Single-walled Carbon Nanotube
-
Sorescu, D. C.; Jordan, K. D. Theoretical Study of Oxygen Adsorption on Graphite and the (8,0) Single-walled Carbon Nanotube J. Phys. Chem. B 2001, 105, 11227-11232
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 11227-11232
-
-
Sorescu, D.C.1
Jordan, K.D.2
-
17
-
-
33745192279
-
Oxygen-Driven Unzipping of Graphitic Materials
-
Li, J.-L.; Kudin, K. N.; McAllister, M. J.; Prud'homee, 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
Prud'Homee, R.K.4
Aksay, I.A.5
Car, R.6
-
19
-
-
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
-
20
-
-
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
-
21
-
-
84884179930
-
An ab initio study of oxygen on strained graphene
-
Nguyen, M.-T. An ab initio study of oxygen on strained graphene J. Phys.: Condens. Matter 2013, 25, 395301
-
(2013)
J. Phys.: Condens. Matter
, vol.25
, pp. 395301
-
-
Nguyen, M.-T.1
-
22
-
-
71949129631
-
Gas Adsorption on Graphene Doped with B, N, Al, and S: A Theoretical Study
-
Dai, J.; Yuan, J.; Giannozzi, P. Gas Adsorption on Graphene Doped with B, N, Al, and S: A Theoretical Study Appl. Phys. Lett. 2009, 95, 232105
-
(2009)
Appl. Phys. Lett.
, vol.95
, pp. 232105
-
-
Dai, J.1
Yuan, J.2
Giannozzi, P.3
-
23
-
-
77955374079
-
Adsorption of Molecular Oxygen on Doped Graphene: Atomic, Electronic, and Magnetic Properties
-
Dai, J.; Yuan, J. Adsorption of Molecular Oxygen on Doped Graphene: Atomic, Electronic, and Magnetic Properties Phys. Rev. B 2010, 81, 165414
-
(2010)
Phys. Rev. B
, vol.81
, pp. 165414
-
-
Dai, J.1
Yuan, J.2
-
24
-
-
2942569098
-
Theoretical Study of Oxygen Adsorption on Boron-Doped Graphite
-
Ferro, Y.; Allouche, A.; Marinelli, F.; Brosset, C. Theoretical Study of Oxygen Adsorption on Boron-Doped Graphite Surf. Sci. 2004, 559, 158-168
-
(2004)
Surf. Sci.
, vol.559
, pp. 158-168
-
-
Ferro, Y.1
Allouche, A.2
Marinelli, F.3
Brosset, C.4
-
25
-
-
78650830129
-
-
University of Torino: Torino, Italy
-
Dovesi, R.; Saunders, V. R.; Roetti, C.; Orlando, R.; Zicovich-Wilson, C. M.; Pascale, F.; Civalleri, B.; Doll, K.; Harrison, N. M.; Bush, I. J.; CRYSTAL09 User's Manual; University of Torino: Torino, Italy, 2009.
-
(2009)
CRYSTAL09 User's Manual
-
-
Dovesi, R.1
Saunders, V.R.2
Roetti, C.3
Orlando, R.4
Zicovich-Wilson, C.M.5
Pascale, F.6
Civalleri, B.7
Doll, K.8
Harrison, N.M.9
Bush, I.J.10
-
26
-
-
70349568754
-
Quantum Espresso: A Modular and Open-Source Software Project for Quantum Simulations of Materials
-
Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I. Quantum Espresso: A Modular and Open-Source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
-
27
-
-
0000189651
-
Density-functional Thermochemistry. III. The Role of Exact Exchange
-
Becke, A. D. Density-functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
28
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
29
-
-
79955923585
-
Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals
-
Demichelis, R.; Noël, Y.; D′Arco, P.; Rérat, M.; Zicovich-Wilson, C. M.; Dovesi, R. Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals J. Phys. Chem. C 2011, 115, 8876-8885
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 8876-8885
-
-
Demichelis, R.1
Noël, Y.2
D'Arco, P.3
Rérat, M.4
Zicovich-Wilson, C.M.5
Dovesi, R.6
-
30
-
-
84870846162
-
Consistent Gaussian Basis Sets of Triple-Zeta Valence with Polarization Quality for Solid-State Calculations
-
Peintinger, M. F.; Oliveira, D. V.; Bredow, T. Consistent Gaussian Basis Sets of Triple-Zeta Valence with Polarization Quality for Solid-State Calculations J. Comput. Chem. 2013, 34, 451-459
-
(2013)
J. Comput. Chem.
, vol.34
, pp. 451-459
-
-
Peintinger, M.F.1
Oliveira, D.V.2
Bredow, T.3
-
31
-
-
0001340639
-
Crystal Field Effects on the Topological Properties of the Electron Density in Molecular Crystals: The Case of Urea
-
Gatti, C.; Saunders, V. R.; Roetti, C. Crystal Field Effects on the Topological Properties of the Electron Density in Molecular Crystals: The Case of Urea J. Chem. Phys. 1994, 101, 10686-10696
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 10686-10696
-
-
Gatti, C.1
Saunders, V.R.2
Roetti, C.3
-
32
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
33
-
-
84892567306
-
-
Few checks of comparison were done with PBE/QE and PBE/C09 methods (see Supporting Information)
-
Few checks of comparison were done with PBE/QE and PBE/C09 methods (see Supporting Information).
-
-
-
-
34
-
-
70450206724
-
-
Revision D.01; Gaussian: Wallingford, CT, USA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, Revision D.01; Gaussian: Wallingford, CT, USA, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
35
-
-
79952842951
-
Surface Precursors and Reaction Mechanisms for the Thermal Reduction of Graphene Basal Surfaces Oxidized by Atomic Oxygen
-
Sun, T.; Fabris, S.; Baroni, S. Surface Precursors and Reaction Mechanisms for the Thermal Reduction of Graphene Basal Surfaces Oxidized by Atomic Oxygen J. Phys. Chem. C 2011, 115, 4730-4737
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 4730-4737
-
-
Sun, T.1
Fabris, S.2
Baroni, S.3
-
36
-
-
84872833373
-
Binding of Atomic Oxygen on Graphene from Small Epoxy Clusters to a Fully Oxidized Surface
-
Šljivančanin, Z.; Milošević, A. S.; Popović, Z. S.; Vukajlović, F. R. Binding of Atomic Oxygen on Graphene from Small Epoxy Clusters to a Fully Oxidized Surface Carbon 2013, 54, 482-488
-
(2013)
Carbon
, vol.54
, pp. 482-488
-
-
Šljivančanin, Z.1
Milošević, A.S.2
Popović, Z.S.3
Vukajlović, F.R.4
-
37
-
-
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
-
38
-
-
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
-
39
-
-
41649087990
-
B3LYP Augmented with an Empirical Dispersion Term (B3LYP-D) as Applied to Molecular Crystals
-
Civalleri, B.; Zicovich-Wilson, C. M.; Valenzano, L.; Ugliengo, P. B3LYP Augmented with an Empirical Dispersion Term (B3LYP-D*) as Applied to Molecular Crystals CrystEngComm 2008, 10, 405-410
-
(2008)
CrystEngComm
, vol.10
, pp. 405-410
-
-
Civalleri, B.1
Zicovich-Wilson, C.M.2
Valenzano, L.3
Ugliengo, P.4
-
41
-
-
0037080586
-
2(110) as a Function of Oxygen pressure
-
2(110) as a Function of Oxygen pressure Phys. Rev. B 2001, 65, 035406
-
(2001)
Phys. Rev. B
, vol.65
, pp. 035406
-
-
Reuter, K.1
Scheffler, M.2
|