-
1
-
-
33845628173
-
Graphene: Carbon in Two Dimensions
-
Katsnelson, M. I. Graphene: Carbon in Two Dimensions Mater. Today 2007, 10, 20-27
-
(2007)
Mater. Today
, vol.10
, pp. 20-27
-
-
Katsnelson, M.I.1
-
3
-
-
59949098337
-
The Electronic Properties of Graphene
-
Neto, A. H. C.; Guinea, F.; Peres, N. M. R.; Novoselov, K. S.; Geim, A. K. The Electronic Properties of Graphene Rev. Mod. Phys. 2009, 81, 109-162
-
(2009)
Rev. Mod. Phys.
, vol.81
, pp. 109-162
-
-
Neto, A.H.C.1
Guinea, F.2
Peres, N.M.R.3
Novoselov, K.S.4
Geim, A.K.5
-
4
-
-
67649225738
-
Graphene: Status and Prospects
-
Geim, A. K. Graphene: Status and Prospects Science 2009, 324, 1530-1534
-
(2009)
Science
, vol.324
, pp. 1530-1534
-
-
Geim, A.K.1
-
5
-
-
79951893899
-
Graphene: Preparation and Structural Perfection
-
Inagaki, M.; Kim, Y. A.; Endo, M. Graphene: Preparation and Structural Perfection J. Mater. Chem. 2011, 21, 3280-3294
-
(2011)
J. Mater. Chem.
, vol.21
, pp. 3280-3294
-
-
Inagaki, M.1
Kim, Y.A.2
Endo, M.3
-
6
-
-
79952275635
-
Structural Defects in Graphene
-
Banhart, F.; Kotakoski, J.; Krasheninnikov, A. V. Structural Defects in Graphene ACS Nano 2011, 5, 26-41
-
(2011)
ACS Nano
, vol.5
, pp. 26-41
-
-
Banhart, F.1
Kotakoski, J.2
Krasheninnikov, A.V.3
-
7
-
-
4344607594
-
Direct Evidence for Atomic Defects in Graphene Layers
-
Hashimoto, A.; Suenaga, K.; Gloter, A.; Urita, K.; Iijima, S. Direct Evidence for Atomic Defects in Graphene Layers Nature 2004, 430, 870-873
-
(2004)
Nature
, vol.430
, pp. 870-873
-
-
Hashimoto, A.1
Suenaga, K.2
Gloter, A.3
Urita, K.4
Iijima, S.5
-
8
-
-
84874093339
-
Recent Progress in Graphene-Based Nanomaterials as Advanced Electrocatalysts towards Oxygen Reduction Reaction
-
Zhu, C. Z.; Dong, S. J. Recent Progress in Graphene-Based Nanomaterials as Advanced Electrocatalysts towards Oxygen Reduction Reaction Nanoscale 2013, 5, 1753-1767
-
(2013)
Nanoscale
, vol.5
, pp. 1753-1767
-
-
Zhu, C.Z.1
Dong, S.J.2
-
9
-
-
84863011265
-
Palladium Nanoparticles/Defective Graphene Composites as Oxygen Reduction Electrocatalysts: A First-Principles Study
-
Liu, X.; Li, L.; Meng, C. G.; Han, Y. Palladium Nanoparticles/Defective Graphene Composites as Oxygen Reduction Electrocatalysts: A First-Principles Study J. Phys. Chem. C 2012, 116, 2710-2719
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 2710-2719
-
-
Liu, X.1
Li, L.2
Meng, C.G.3
Han, Y.4
-
10
-
-
84862908234
-
Graphene Substrate-Mediated Catalytic Performance Enhancement of Ru Nanoparticles: A First-Principles Study
-
Liu, X.; Yao, K. X.; Meng, C. G.; Han, Y. Graphene Substrate-Mediated Catalytic Performance Enhancement of Ru Nanoparticles: A First-Principles Study Dalton Trans. 2012, 41, 1289-1296
-
(2012)
Dalton Trans.
, vol.41
, pp. 1289-1296
-
-
Liu, X.1
Yao, K.X.2
Meng, C.G.3
Han, Y.4
-
11
-
-
84861851374
-
Substrate-Mediated Enhanced Activity of Ru Nanoparticles in Catalytic Hydrogenation of Benzene
-
Liu, X.; Meng, C. G.; Han, Y. Substrate-Mediated Enhanced Activity of Ru Nanoparticles in Catalytic Hydrogenation of Benzene Nanoscale 2012, 4, 2288-2295
-
(2012)
Nanoscale
, vol.4
, pp. 2288-2295
-
-
Liu, X.1
Meng, C.G.2
Han, Y.3
-
12
-
-
84867721663
-
x (x = 0, 1, 2, 3) Adsorption: A First-Principles Study
-
x (x = 0, 1, 2, 3) Adsorption: A First-Principles Study Phys. Chem. Chem. Phys. 2012, 14, 15036-15045
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 15036-15045
-
-
Liu, X.1
Meng, C.G.2
Han, Y.3
-
13
-
-
84872873687
-
12 (M = Fe, Co, Ni, Cu, Zn, Pd) Nanoparticles as Potential Oxygen Reduction Electrocatalysts: A First-Principles Study
-
12 (M = Fe, Co, Ni, Cu, Zn, Pd) Nanoparticles as Potential Oxygen Reduction Electrocatalysts: A First-Principles Study J. Phys. Chem. C 2013, 117, 1350-1357
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 1350-1357
-
-
Liu, X.1
Meng, C.G.2
Han, Y.3
-
14
-
-
79955909159
-
DFT Studies on the Interaction of Defective Graphene-Supported Fe and Al Nanoparticles
-
Lim, D.-L.; Negreira, A. S.; Wilcox, J. DFT Studies on the Interaction of Defective Graphene-Supported Fe and Al Nanoparticles J. Phys. Chem. C 2011, 115, 8961-8970
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 8961-8970
-
-
Lim, D.-L.1
Negreira, A.S.2
Wilcox, J.3
-
15
-
-
81755176077
-
DFT-Based Study on Oxygen Adsorption on Defective Graphene-Supported Pt Nanoparticles
-
Lim, D.-L.; Wilcox, J. DFT-Based Study on Oxygen Adsorption on Defective Graphene-Supported Pt Nanoparticles J. Phys. Chem. C 2011, 115, 22742-22747
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 22742-22747
-
-
Lim, D.-L.1
Wilcox, J.2
-
16
-
-
84856839338
-
Mechanisms of the Oxygen Reduction Reaction on Defective Graphene-Supported Pt Nanoparticles from First-Principles
-
Lim, D.-L.; Wilcox, J. Mechanisms of the Oxygen Reduction Reaction on Defective Graphene-Supported Pt Nanoparticles from First-Principles J. Phys. Chem. C 2012, 116, 3653-3660
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 3653-3660
-
-
Lim, D.-L.1
Wilcox, J.2
-
17
-
-
84858758751
-
Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption, Morphology, and Electronic Structure
-
Fampiou, I.; Ramasubramaniam Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption, Morphology, and Electronic Structure J. Phys. Chem. C 2012, 116, 6543-6555
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 6543-6555
-
-
Fampiou, I.1
Ramasubramaniam2
-
18
-
-
77955579510
-
Boron Nitride Nanotubes and Nanosheets
-
Golberg, D.; Bando, Y.; Huang, Y.; Terao, T.; Mitome, M.; Tang, C.; Zhi, C. Boron Nitride Nanotubes and Nanosheets ACS Nano 2010, 4, 2979-2993
-
(2010)
ACS Nano
, vol.4
, pp. 2979-2993
-
-
Golberg, D.1
Bando, Y.2
Huang, Y.3
Terao, T.4
Mitome, M.5
Tang, C.6
Zhi, C.7
-
19
-
-
78650136926
-
"white Graphenes": Boron Nitride Nanoribbons via Boron Nitride Nanotube Unwrapping
-
Zeng, H.; Zhi, C.; Zhang, Z.; Wei, X.; Wang, X.; Guo, W.; Bando, Y.; Golberg, D. "White Graphenes": Boron Nitride Nanoribbons via Boron Nitride Nanotube Unwrapping Nano Lett. 2010, 10, 5049-5055
-
(2010)
Nano Lett.
, vol.10
, pp. 5049-5055
-
-
Zeng, H.1
Zhi, C.2
Zhang, Z.3
Wei, X.4
Wang, X.5
Guo, W.6
Bando, Y.7
Golberg, D.8
-
20
-
-
84872801628
-
Advances in 2D Boron Nitride Nanostructures: Nanosheets, Nanoribbons, Nanomeshes, and Hybrids with Graphene
-
Lin, Y.; Connell, J. Advances in 2D Boron Nitride Nanostructures: Nanosheets, Nanoribbons, Nanomeshes, and Hybrids with Graphene Nanoscale 2012, 4, 6908-6939
-
(2012)
Nanoscale
, vol.4
, pp. 6908-6939
-
-
Lin, Y.1
Connell, J.2
-
21
-
-
67650445626
-
Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments
-
Jin, C. H.; Lin, F.; Suenaga, K.; Iijima, S. Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments Phys. Rev. Lett. 2009, 102, 195505-195509
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 195505-195509
-
-
Jin, C.H.1
Lin, F.2
Suenaga, K.3
Iijima, S.4
-
22
-
-
67650361317
-
Selective Sputtering and Atomic Resolution Imaging of Atomically Thin Boron Nitride Membranes
-
Meyer, J. C.; Chuvilin, A.; Algara-Siller, G.; Biskupek, J.; Kaiser, U. Selective Sputtering and Atomic Resolution Imaging of Atomically Thin Boron Nitride Membranes Nano Lett. 2009, 9, 2683-2689
-
(2009)
Nano Lett.
, vol.9
, pp. 2683-2689
-
-
Meyer, J.C.1
Chuvilin, A.2
Algara-Siller, G.3
Biskupek, J.4
Kaiser, U.5
-
23
-
-
34347340678
-
Magnetic Properties of Vacancies in a Graphitic Boron Nitride Sheet by First-Principles Pseudopotential Calculations
-
Si, M. S.; Xue, D. S. Magnetic Properties of Vacancies in a Graphitic Boron Nitride Sheet by First-Principles Pseudopotential Calculations Phys. Rev. B 2007, 75, 193409-193413
-
(2007)
Phys. Rev. B
, vol.75
, pp. 193409-193413
-
-
Si, M.S.1
Xue, D.S.2
-
24
-
-
62549130254
-
Electronic Structure of Defects in a Boron Nitride Monolayer
-
Azevedo, S.; Kaschny, J. R.; de Castilho, C. M. C.; de Brito Mota, F. Electronic Structure of Defects in a Boron Nitride Monolayer Eur. Phys. J. B 2009, 67, 507-512
-
(2009)
Eur. Phys. J. B
, vol.67
, pp. 507-512
-
-
Azevedo, S.1
Kaschny, J.R.2
De Castilho, C.M.C.3
De Brito Mota, F.4
-
25
-
-
84859068523
-
Defects and Impurities in Graphene-like Materials
-
Araujo, P. T.; Terrones, M.; Dresselhaus, M. S. Defects and Impurities in Graphene-like Materials Mater. Today 2012, 15, 98-109
-
(2012)
Mater. Today
, vol.15
, pp. 98-109
-
-
Araujo, P.T.1
Terrones, M.2
Dresselhaus, M.S.3
-
26
-
-
77956666872
-
Metal Adatoms on Graphene and Hexagonal Boron Nitride: Towards Rational Design of Self-Assembly Templates
-
Yazyev, O. V.; Pasquarello, A. Metal Adatoms on Graphene and Hexagonal Boron Nitride: Towards Rational Design of Self-Assembly Templates Phys. Rev. B 2010, 82, 045407-045412
-
(2010)
Phys. Rev. B
, vol.82
, pp. 045407-045412
-
-
Yazyev, O.V.1
Pasquarello, A.2
-
27
-
-
84872787247
-
CO Oxidation on H-BN Supported Au Atom
-
Gao, M.; Lyalin, A.; Taketsugu, T. CO Oxidation on H-BN Supported Au Atom J. Chem. Phys. 2013, 138, 034701-034708
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 034701-034708
-
-
Gao, M.1
Lyalin, A.2
Taketsugu, T.3
-
28
-
-
84872906161
-
Oxygen Activation and Dissociation on H-BN Supported Au Atoms
-
Gao, M.; Lyalin, A.; Taketsugu, T. Oxygen Activation and Dissociation on H-BN Supported Au Atoms Int. J. Quantum Chem. 2013, 113, 443-452
-
(2013)
Int. J. Quantum Chem.
, vol.113
, pp. 443-452
-
-
Gao, M.1
Lyalin, A.2
Taketsugu, T.3
-
30
-
-
47349098147
-
Bonding of Hexagonal BN to Transition Metal Surfaces: An Ab Initio Density-Functional Theory Study
-
Laskowski, R.; Blaha, P.; Schwarz, K. Bonding of Hexagonal BN to Transition Metal Surfaces: An Ab Initio Density-Functional Theory Study Phys. Rev. B 2008, 78, 045409-045418
-
(2008)
Phys. Rev. B
, vol.78
, pp. 045409-045418
-
-
Laskowski, R.1
Blaha, P.2
Schwarz, K.3
-
31
-
-
84883196244
-
First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation
-
Lin, S.; Ye, X.; Johnson, R. S.; Guo, H. First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation J. Phys. Chem. C 2013, 117, 17319-17326
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 17319-17326
-
-
Lin, S.1
Ye, X.2
Johnson, R.S.3
Guo, H.4
-
32
-
-
84873291326
-
Theoretical Predictions for Hexagonal BN Based Nanomaterials as Electrocatalysts for the Oxygen Reduction Reaction
-
Lyalin, A.; Nakayama, A.; Uosaki, K.; Taketsugu, T. Theoretical Predictions for Hexagonal BN Based Nanomaterials as Electrocatalysts for the Oxygen Reduction Reaction Phys. Chem. Chem. Phys. 2013, 15, 2809-2820
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 2809-2820
-
-
Lyalin, A.1
Nakayama, A.2
Uosaki, K.3
Taketsugu, T.4
-
33
-
-
84885967119
-
Functionalization of Monolayer h-BN by a Metal Support for the Oxygen Reduction Reaction
-
Lyalin, A.; Nakayama, A.; Uosaki, K.; Taketsugu, T. Functionalization of Monolayer h-BN by a Metal Support for the Oxygen Reduction Reaction J. Phys. Chem. C 2013, 117, 21359-21370
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 21359-21370
-
-
Lyalin, A.1
Nakayama, A.2
Uosaki, K.3
Taketsugu, T.4
-
34
-
-
44949134855
-
One- and Two-Dimensional Diffusion of Metal Atoms in Graphene
-
Gan, Y.; Sun, L.; Banhart, F. One- and Two-Dimensional Diffusion of Metal Atoms in Graphene Small 2008, 4, 587-591
-
(2008)
Small
, vol.4
, pp. 587-591
-
-
Gan, Y.1
Sun, L.2
Banhart, F.3
-
35
-
-
77955854646
-
Trapping of Metal Atoms in Vacancies of Carbon Nanotubes and Graphene
-
Rodríguez-Manzo, J. A.; Cretu, O.; Banhart, F. Trapping of Metal Atoms in Vacancies of Carbon Nanotubes and Graphene ACS Nano 2010, 4, 3422-3428
-
(2010)
ACS Nano
, vol.4
, pp. 3422-3428
-
-
Rodríguez-Manzo, J.A.1
Cretu, O.2
Banhart, F.3
-
36
-
-
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
-
37
-
-
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
-
38
-
-
0034319689
-
From Molecules to Solids with the Dmol3 Approach
-
Delley, B. From Molecules to Solids With the Dmol3 Approach J. Chem. Phys. 2000, 113, 7756-7764
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7756-7764
-
-
Delley, B.1
-
39
-
-
1842816907
-
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
-
40
-
-
0001553329
-
Bonded-Atom Fragments for Describing Molecular Charge Densities
-
Hirshfeld, F. L. Bonded-Atom Fragments for Describing Molecular Charge Densities Theor. Chim. Acta 1977, 44, 129-138
-
(1977)
Theor. Chim. Acta
, vol.44
, pp. 129-138
-
-
Hirshfeld, F.L.1
-
41
-
-
79955370719
-
Geometric and Magnetic Properties of Pt Clusters Supported on Graphene: Relativistic Density-Functional Calculations
-
Bloński, P.; Hafner, J. Geometric and Magnetic Properties of Pt Clusters Supported on Graphene: Relativistic Density-Functional Calculations J. Chem. Phys. 2011, 134, 154705-154717
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 154705-154717
-
-
Bloński, P.1
Hafner, J.2
-
42
-
-
25844501269
-
Structural Properties of Nanoclusters: Energetic, Thermodynamic, and Kinetic Effects
-
Baletto, F.; Ferrando, R. Structural Properties of Nanoclusters: Energetic, Thermodynamic, and Kinetic Effects Rev. Mod. Phys. 2005, 77, 371-423
-
(2005)
Rev. Mod. Phys.
, vol.77
, pp. 371-423
-
-
Baletto, F.1
Ferrando, R.2
-
43
-
-
0037422972
-
Cluster Growing Process and a Sequence of Magic Numbers
-
Solovâyov, I.; Solovâyov, A.; Greiner, W.; Koshelev, A.; Shutovich, A. Cluster Growing Process and a Sequence of Magic Numbers Phys. Rev. Lett. 2003, 90, 053401-053404
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 053401-053404
-
-
Solovâyov, I.1
Solovâyov, A.2
Greiner, W.3
Koshelev, A.4
Shutovich, A.5
-
44
-
-
33645508964
-
-
Eds. Academic Press Inc. San Diego, CA, Vol.
-
Hammer, B.; Nørskov, J. K., Eds. Advances in Catalysis; Academic Press Inc.; San Diego, CA, 2000; Vol. 45, pp 71-129.
-
(2000)
Advances in Catalysis
, vol.45
, pp. 71-129
-
-
Hammer, B.1
Nørskov, J.K.2
-
45
-
-
1242329035
-
Improved Tangent Estimate in the Nudged Elastic Band Method for Finding Minimum Energy Paths and Saddle Points
-
Henkelman, G.; Jonsson, H. Improved Tangent Estimate in the Nudged Elastic Band Method for Finding Minimum Energy Paths and Saddle Points J. Chem. Phys. 2000, 113, 9978-9985
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9978-9985
-
-
Henkelman, G.1
Jonsson, H.2
-
48
-
-
84881498481
-
Recent Progress in the Development of Anode and Cathode Catalysts for Direct Methanol Fuel Cells
-
Tiwari, J. N.; Tiwari, R. N.; Singh, G.; Kim, K. S. Recent Progress in the Development of Anode and Cathode Catalysts for Direct Methanol Fuel Cells Nano Energy 2013, 2, 553-578
-
(2013)
Nano Energy
, vol.2
, pp. 553-578
-
-
Tiwari, J.N.1
Tiwari, R.N.2
Singh, G.3
Kim, K.S.4
-
49
-
-
65949117593
-
Towards the Computational Design of Solid Catalysts
-
Norskov, J. K.; Bligaard, T.; Rossmeisl, J.; Christensen, C. H. Towards the Computational Design of Solid Catalysts Nat. Chem. 2009, 1, 37-46
-
(2009)
Nat. Chem.
, vol.1
, pp. 37-46
-
-
Norskov, J.K.1
Bligaard, T.2
Rossmeisl, J.3
Christensen, C.H.4
-
50
-
-
78650510011
-
Palladium-Based Electrocatalysts for Hydrogen Oxidation and Oxygen Reduction Reactions
-
Shao, M. Palladium-Based Electrocatalysts for Hydrogen Oxidation and Oxygen Reduction Reactions J. Power Sources 2011, 196, 2433-2444
-
(2011)
J. Power Sources
, vol.196
, pp. 2433-2444
-
-
Shao, M.1
-
51
-
-
0043020824
-
Oxygen Reduction at Pt-Au and Pd-Au Alloy Electrodes in Acid Solution
-
Damjanovic, A.; Brusic, V. Oxygen Reduction at Pt-Au and Pd-Au Alloy Electrodes in Acid Solution Electrochim. Acta 1967, 12, 1171-1184
-
(1967)
Electrochim. Acta
, vol.12
, pp. 1171-1184
-
-
Damjanovic, A.1
Brusic, V.2
-
52
-
-
33845989898
-
Palladium Monolayer and Palladium Alloy Electrocatalysts for Oxygen Reduction
-
Shao, M. H.; Huang, T.; Liu, P.; Zhang, J.; Sasaki, K.; Vukmirovic, M. B.; Adzic, R. R. Palladium Monolayer and Palladium Alloy Electrocatalysts for Oxygen Reduction Langmuir 2006, 22, 10409-10415
-
(2006)
Langmuir
, vol.22
, pp. 10409-10415
-
-
Shao, M.H.1
Huang, T.2
Liu, P.3
Zhang, J.4
Sasaki, K.5
Vukmirovic, M.B.6
Adzic, R.R.7
-
54
-
-
73449093538
-
Optimizing Core-Shell Nanoparticle Catalysts with a Genetic Algorithm
-
Froemming, N. S.; Henkelman, G. Optimizing Core-Shell Nanoparticle Catalysts with a Genetic Algorithm J. Chem. Phys. 2009, 131, 234103
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 234103
-
-
Froemming, N.S.1
Henkelman, G.2
|