-
2
-
-
0141788337
-
Recent Advances in Materials for Fuel Cells
-
Brandon, N. P.; Skinner, S.; Steele, B. C. H. Recent Advances in Materials for Fuel Cells Annu. Rev. Mater. Res. 2003, 33, 183-213
-
(2003)
Annu. Rev. Mater. Res.
, vol.33
, pp. 183-213
-
-
Brandon, N.P.1
Skinner, S.2
Steele, B.C.H.3
-
4
-
-
84860744598
-
Electrocatalysis for Polymer Electrolyte Fuel Cells: Recent Achievements and Future Challenges
-
Rabis, A.; Rodriguez, P.; Schmidt, T. J. Electrocatalysis for Polymer Electrolyte Fuel Cells: Recent Achievements and Future Challenges ACS Catal. 2012, 2, 864-890
-
(2012)
ACS Catal.
, vol.2
, pp. 864-890
-
-
Rabis, A.1
Rodriguez, P.2
Schmidt, T.J.3
-
5
-
-
0036849896
-
Pt-M (M = Fe, Co, Ni and Cu) Electrocatalysts Synthesized by an Aqueous Route for Proton Exchange Membrane Fuel Cells
-
Xiong, L.; Kannan, A. M.; Manthiram, A. Pt-M (M = Fe, Co, Ni and Cu) Electrocatalysts Synthesized by an Aqueous Route for Proton Exchange Membrane Fuel Cells Electrochem. Commun. 2002, 4, 898-903
-
(2002)
Electrochem. Commun.
, vol.4
, pp. 898-903
-
-
Xiong, L.1
Kannan, A.M.2
Manthiram, A.3
-
6
-
-
77955306413
-
Oxygen Reduction Reaction Activities of Ni/Pt(111) Model Catalysts Fabricated by Molecular Beam Epitaxy
-
Wadayama, T.; Todoroki, N.; Yamada, Y.; Sugawara, T.; Miyamoto, K.; Iijama, Y. Oxygen Reduction Reaction Activities of Ni/Pt(111) Model Catalysts Fabricated by Molecular Beam Epitaxy Electrochem. Commun. 2010, 12, 1112-1115
-
(2010)
Electrochem. Commun.
, vol.12
, pp. 1112-1115
-
-
Wadayama, T.1
Todoroki, N.2
Yamada, Y.3
Sugawara, T.4
Miyamoto, K.5
Iijama, Y.6
-
7
-
-
33846596556
-
3Ni(111) via Increased Surface Site Availability
-
3Ni(111) via Increased Surface Site Availability Science 2007, 315, 493-497
-
(2007)
Science
, vol.315
, pp. 493-497
-
-
Stamenkovic, V.R.1
Fowler, B.2
Mun, B.S.3
Wang, G.4
Ross, P.N.5
Lucas, C.A.6
Marković, N.M.7
-
8
-
-
4043098403
-
2 Reduction: Pt Monolayer on Pd(111) and on Carbon-Supported Pd Nanoparticles
-
2 Reduction: Pt Monolayer on Pd(111) and on Carbon-Supported Pd Nanoparticles J. Phys. Chem. B 2004, 108, 10955-10964
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 10955-10964
-
-
Zhang, J.1
Mo, Y.2
Vukmirovic, M.B.3
Klie, R.4
Sasaki, K.5
Adzic, R.R.6
-
9
-
-
79958837354
-
Synthesis and Characterization of Cu@Pt/C Core-Shell Structured Catalysts for Proton Exchange Membrane Fuel Cell
-
Zhu, H.; Li, X.; Wang, F. Synthesis and Characterization of Cu@Pt/C Core-Shell Structured Catalysts for Proton Exchange Membrane Fuel Cell Int. J. Hydrogen Energy 2011, 36, 9151-9154
-
(2011)
Int. J. Hydrogen Energy
, vol.36
, pp. 9151-9154
-
-
Zhu, H.1
Li, X.2
Wang, F.3
-
10
-
-
70349113058
-
Non-Precious Oxygen Reduction Catalysts Prepared by High-Pressure Pyrolysis for Low-Temperature Fuel Cells
-
Kothandaraman, R.; Nallathambi, V.; Artyushkova, K.; Barton, S. C. Non-Precious Oxygen Reduction Catalysts Prepared by High-Pressure Pyrolysis for Low-Temperature Fuel Cells Appl. Catal. B: Environ. 2009, 92, 209-216
-
(2009)
Appl. Catal. B: Environ.
, vol.92
, pp. 209-216
-
-
Kothandaraman, R.1
Nallathambi, V.2
Artyushkova, K.3
Barton, S.C.4
-
11
-
-
79955405239
-
High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt
-
Wu, G.; More, K. L.; Johnston, C. M.; Zelenay, P. High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt Science 2001, 332, 443-447
-
(2001)
Science
, vol.332
, pp. 443-447
-
-
Wu, G.1
More, K.L.2
Johnston, C.M.3
Zelenay, P.4
-
13
-
-
33750348151
-
Simultaneous Doping of Boron and Nitrogen into a Carbon to Enhance Its Oxygen Reduction Activity in Proton Exchange Membrane Fuel Cells
-
Ozaki, J.-i.; Anahara, T.; Kimura, N.; Oya, A. Simultaneous Doping of Boron and Nitrogen into a Carbon to Enhance Its Oxygen Reduction Activity in Proton Exchange Membrane Fuel Cells Carbon 2006, 44, 3358-3361
-
(2006)
Carbon
, vol.44
, pp. 3358-3361
-
-
Ozaki, J.-I.1
Anahara, T.2
Kimura, N.3
Oya, A.4
-
14
-
-
34447552365
-
Preparation and Oxygen Reduction Activity of BN-Doped Carbons
-
Ozaki, J.-i.; Kimura, N.; Anahara, T.; Oya, A. Preparation and Oxygen Reduction Activity of BN-Doped Carbons Carbon 2007, 45, 1847-1853
-
(2007)
Carbon
, vol.45
, pp. 1847-1853
-
-
Ozaki, J.-I.1
Kimura, N.2
Anahara, T.3
Oya, A.4
-
15
-
-
53849119203
-
Carbon Alloy Catalysts: Active Sites for Oxygen Reduction Reaction
-
Ikeda, T.; Boero, M.; Huang, S.-F.; Terakura, K.; Oshima, M.; Ozaki, J.-i. Carbon Alloy Catalysts: Active Sites for Oxygen Reduction Reaction J. Phys. Chem. C 2008, 112, 14706-14709
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 14706-14709
-
-
Ikeda, T.1
Boero, M.2
Huang, S.-F.3
Terakura, K.4
Oshima, M.5
-
16
-
-
77954740203
-
First-Principles Calculation of the Electronic Properties of Graphene Clusters Doped with Nitrogen and Boron: Analysis of Catalytic Activity for the Oxygen Reduction Reaction
-
Huang, S.-F.; Terakura, K.; Ozaki, T.; Ikeda, T.; Boero, M.; Oshima, M.; Ozaki, J.-i.; Miyata, S. First-Principles Calculation of the Electronic Properties of Graphene Clusters Doped with Nitrogen and Boron: Analysis of Catalytic Activity for the Oxygen Reduction Reaction Phys. Rev. B 2009, 80, 235410
-
(2009)
Phys. Rev. B
, vol.80
, pp. 235410
-
-
Huang, S.-F.1
Terakura, K.2
Ozaki, T.3
Ikeda, T.4
Boero, M.5
Oshima, M.6
Miyata, S.7
-
17
-
-
79953678280
-
Enhanced Catalytic Activity of Carbon Alloy Catalysts Codoped with Boron and Nitrogen for Oxygen Reduction Reaction
-
Ikeda, T.; Boero, M.; Huang, S.-F.; Terakura, K.; Oshima, M.; Ozaki, J.-i.; Miyata, S. Enhanced Catalytic Activity of Carbon Alloy Catalysts Codoped with Boron and Nitrogen for Oxygen Reduction Reaction J. Phys. Chem. C 2010, 114, 8933-8937
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 8933-8937
-
-
Ikeda, T.1
Boero, M.2
Huang, S.-F.3
Terakura, K.4
Oshima, M.5
Miyata, S.6
-
18
-
-
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
-
19
-
-
79958739975
-
Mechanisms of Oxygen Reduction Reaction on Nitrogen-Doped Graphene for Fuel Cells
-
Zhang, L.; Xia, Z. Mechanisms of Oxygen Reduction Reaction on Nitrogen-Doped Graphene for Fuel Cells J. Phys. Chem. C 2011, 115, 11170-11176
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 11170-11176
-
-
Zhang, L.1
Xia, Z.2
-
20
-
-
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
-
21
-
-
80053050322
-
4 Nanocrystals on Graphene as a Synergistic Catalyst for Oxygen Reduction Reaction
-
4 Nanocrystals on Graphene as a Synergistic Catalyst for Oxygen Reduction Reaction Nat. Mater. 2011, 10, 780-786
-
(2011)
Nat. Mater.
, vol.10
, pp. 780-786
-
-
Liang, Y.1
Li, Y.2
Wang, H.3
Zhou, J.4
Wang, J.5
Regier, T.6
Dai, H.7
-
22
-
-
84855470276
-
Selective Nitrogen Doping in Graphene: Enhanced Catalytic Activity for the Oxygen Reduction Reaction
-
Wang, X.; Hou, Z.; Ikeda, T.; Huang, S.-F.; Terakura, K.; Boero, M.; Oshima, M.; Kakimoto, M.-a.; Miyata, S. Selective Nitrogen Doping in Graphene: Enhanced Catalytic Activity for the Oxygen Reduction Reaction Phys. Rev. B 2011, 84, 245434
-
(2011)
Phys. Rev. B
, vol.84
, pp. 245434
-
-
Wang, X.1
Hou, Z.2
Ikeda, T.3
Huang, S.-F.4
Terakura, K.5
Boero, M.6
Oshima, M.7
Miyata, S.8
-
23
-
-
84867868540
-
Tuning the Catalytic Activity of Ag(110)-Supported Fe Phthalocyanine in the Oxygen Reduction Reaction
-
Sedona, F.; Di Marino, M.; Forrer, D.; Vittadini, A.; Casarin, M.; Cossaro, A.; Floreano, L.; Verdini, A.; Sambi, M. Tuning the Catalytic Activity of Ag(110)-Supported Fe Phthalocyanine in the Oxygen Reduction Reaction Nat. Mater. 2012, 11, 970-977
-
(2012)
Nat. Mater.
, vol.11
, pp. 970-977
-
-
Sedona, F.1
Di Marino, M.2
Forrer, D.3
Vittadini, A.4
Casarin, M.5
Cossaro, A.6
Floreano, L.7
Verdini, A.8
Sambi, M.9
-
25
-
-
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
-
26
-
-
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
-
27
-
-
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
-
28
-
-
62549130254
-
Electronic Structure of Defects in a Boron Nitride Monolayer
-
Azevedo, S.; Kaschny, J. R.; de Castilho, C. M.; 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.3
De Brito Mota, F.4
-
29
-
-
77954905114
-
Electronic and Magnetic Properties of a BN Sheet Decorated with Hydrogen and Fluorine
-
Zhou, J.; Wang, Q.; Sun, Q.; Jena, P. Electronic and Magnetic Properties of a BN Sheet Decorated with Hydrogen and Fluorine Phys. Rev. B 2010, 81, 085442
-
(2010)
Phys. Rev. B
, vol.81
, pp. 085442
-
-
Zhou, J.1
Wang, Q.2
Sun, Q.3
Jena, P.4
-
30
-
-
83655172567
-
Quasiparticle Band Gap Engineering of Graphene and Graphone on Hexagonal Boron Nitride Substrate
-
Kharche, N.; Nayak, S. K. Quasiparticle Band Gap Engineering of Graphene and Graphone on Hexagonal Boron Nitride Substrate Nano Lett. 2011, 11, 5274-5278
-
(2011)
Nano Lett.
, vol.11
, pp. 5274-5278
-
-
Kharche, N.1
Nayak, S.K.2
-
31
-
-
84874147875
-
Hexagonal Boron Nitride on Transition Metal Surfaces
-
Gómez Díaz, J.; Ding, Y.; Koitz, R.; Seitsonen, A. P.; Iannuzzi, M.; Hutter, J. Hexagonal Boron Nitride on Transition Metal Surfaces Theor. Chem. Acc. 2013, 132, 1350
-
(2013)
Theor. Chem. Acc.
, vol.132
, pp. 1350
-
-
Gómez Díaz, J.1
Ding, Y.2
Koitz, R.3
Seitsonen, A.P.4
Iannuzzi, M.5
Hutter, J.6
-
32
-
-
84872801628
-
Advances in 2D Boron Nitride Nanostructures: Nanosheets, Nanoribbons, Nanomeshes, and Hybrids with Graphene
-
Lin, Y.; Connell, J. W. 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.W.2
-
33
-
-
0141676339
-
Density Functional Theory Investigation of the Geometric and Spintronic Structure of h -BN/Ni(111) in View of Photoemission and STM Experiments
-
Grad, G. B.; Blaha, P.; Schwarz, K.; Auwärter, W.; Greber, T. Density Functional Theory Investigation of the Geometric and Spintronic Structure of h -BN/Ni(111) in View of Photoemission and STM Experiments Phys. Rev. B 2003, 68, 085404
-
(2003)
Phys. Rev. B
, vol.68
, pp. 085404
-
-
Grad, G.B.1
Blaha, P.2
Schwarz, K.3
Auwärter, W.4
Greber, T.5
-
34
-
-
84858164712
-
Electron Tunneling through Ultrathin Boron Nitride Crystalline Barriers
-
Britnell, L.; Gorbachev, R. V.; Jalil, R.; Belle, B. D.; Schedin, F.; Katsnelson, M. I.; Eaves, L.; Morozov, S. V.; Mayorov, A. S.; Peres, N. M. R.; Castro Neto, A. H.; Leist, J.; Geim, A. K.; Ponomarenko, L. A.; Novoselov, K. S. Electron Tunneling through Ultrathin Boron Nitride Crystalline Barriers Nano Lett. 2012, 12, 1707-1710
-
(2012)
Nano Lett.
, vol.12
, pp. 1707-1710
-
-
Britnell, L.1
Gorbachev, R.V.2
Jalil, R.3
Belle, B.D.4
Schedin, F.5
Katsnelson, M.I.6
Eaves, L.7
Morozov, S.V.8
Mayorov, A.S.9
Peres, N.M.R.10
Castro Neto, A.H.11
Leist, J.12
Geim, A.K.13
Ponomarenko, L.A.14
Novoselov, K.S.15
-
35
-
-
0038527582
-
XPD and STM Investigation of Hexagonal Boron Nitride on Ni(111)
-
Auwärter, W.; Kreutz, T.; Greber, T.; Osterwalder, J. XPD and STM Investigation of Hexagonal Boron Nitride on Ni(111) Surf. Sci. 1999, 429, 229-236
-
(1999)
Surf. Sci.
, vol.429
, pp. 229-236
-
-
Auwärter, W.1
Kreutz, T.2
Greber, T.3
Osterwalder, J.4
-
36
-
-
0001046085
-
Electronic Dispersion Relations of Monolayer Hexagonal Boron Nitride Formed on the Ni(111) Surface
-
Nagashima, A.; Tejima, N.; Gamou, Y.; Kawai, T.; Oshima, C. Electronic Dispersion Relations of Monolayer Hexagonal Boron Nitride Formed on the Ni(111) Surface Phys. Rev. B 1995, 51, 4606-4613
-
(1995)
Phys. Rev. B
, vol.51
, pp. 4606-4613
-
-
Nagashima, A.1
Tejima, N.2
Gamou, Y.3
Kawai, T.4
Oshima, C.5
-
37
-
-
0000846113
-
Phonon Dispersion of an Epitaxial Monolayer Film of Hexagonal Boron Nitride on Ni(111)
-
Rokuta, E.; Hasegawa, Y.; Suzuki, K.; Gamou, Y.; Oshima, C.; Nagashima, A. Phonon Dispersion of an Epitaxial Monolayer Film of Hexagonal Boron Nitride on Ni(111) Phys. Rev. Lett. 1997, 79, 4609-4612
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 4609-4612
-
-
Rokuta, E.1
Hasegawa, Y.2
Suzuki, K.3
Gamou, Y.4
Oshima, C.5
Nagashima, A.6
-
38
-
-
11244258308
-
Ni 3d-BN π Hybridization at the h -BN/Ni(111) Interface Observed with Core-Level Spectroscopies
-
Preobrajenski, A. B.; Vinogradov, A. S.; MaÌŠrtensson, N. Ni 3d-BN π Hybridization at the h -BN/Ni(111) Interface Observed with Core-Level Spectroscopies Phys. Rev. B 2004, 70, 165404
-
(2004)
Phys. Rev. B
, vol.70
, pp. 165404
-
-
Preobrajenski, A.B.1
Vinogradov, A.S.2
Maìšrtensson, N.3
-
39
-
-
18044375163
-
Monolayer of h-BN Chemisorbed on Cu(111) and Ni(111): The Role of the Transition Metal 3d States
-
Preobrajenski, A. B.; Vinogradov, A. S.; MaÌŠrtensson, N. Monolayer of h-BN Chemisorbed on Cu(111) and Ni(111): The Role of the Transition Metal 3d States Surf. Sci. 2005, 582, 21-30
-
(2005)
Surf. Sci.
, vol.582
, pp. 21-30
-
-
Preobrajenski, A.B.1
Vinogradov, A.S.2
Maìšrtensson, N.3
-
40
-
-
40849094399
-
Adsorption-Induced Gap States of h -BN on Metal Surfaces
-
Preobrajenski, A. B.; Krasnikov, S. A.; Vinogradov, A. S.; Ng, M. L.; Käämbre, T.; Cafolla, A. A.; MaÌŠrtensson, N. Adsorption-Induced Gap States of h -BN on Metal Surfaces Phys. Rev. B 2008, 77, 085421
-
(2008)
Phys. Rev. B
, vol.77
, pp. 085421
-
-
Preobrajenski, A.B.1
Krasnikov, S.A.2
Vinogradov, A.S.3
Ng, M.L.4
Käämbre, T.5
Cafolla, A.A.6
Maìšrtensson, N.7
-
41
-
-
0034250187
-
Hetero-Epitaxial-Double-Atomic-Layer System of Monolayer Graphene/Monolayer h -BN on Ni(111)
-
Oshima, C.; Itoh, A.; Rokuta, E.; Tanaka, T.; Yamashita, K.; Sakurai, T. Hetero-Epitaxial-Double-Atomic-Layer System of Monolayer Graphene/Monolayer h -BN on Ni(111) Solid State Commun. 2000, 116, 37-40
-
(2000)
Solid State Commun.
, vol.116
, pp. 37-40
-
-
Oshima, C.1
Itoh, A.2
Rokuta, E.3
Tanaka, T.4
Yamashita, K.5
Sakurai, T.6
-
42
-
-
65549108428
-
Density Functional Theory Simulations of B K and N K NEXAFS Spectra of h-BN/Transition Metal(111) Interfaces
-
Laskowski, R.; Gallauner, T.; Blaha, P.; Schwarz, K. Density Functional Theory Simulations of B K and N K NEXAFS Spectra of h-BN/Transition Metal(111) Interfaces J. Phys.: Condens. Matter 2009, 21, 104210
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 104210
-
-
Laskowski, R.1
Gallauner, T.2
Blaha, P.3
Schwarz, K.4
-
43
-
-
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, 045409/1-10
-
(2008)
Phys. Rev. B
, vol.78
-
-
Laskowski, R.1
Blaha, P.2
Schwarz, K.3
-
44
-
-
33847795955
-
H -BN Monolayer Adsorption on the Ni(111) Surface: A Density Functional Study
-
Huda, M. N.; Kleinman, L. h -BN Monolayer Adsorption on the Ni(111) Surface: A Density Functional Study Phys. Rev. B 2006, 74, 075418
-
(2006)
Phys. Rev. B
, vol.74
, pp. 075418
-
-
Huda, M.N.1
Kleinman, L.2
-
45
-
-
59249109238
-
Comparison of Electronic Structure and Template Function of Single-Layer Graphene and a Hexagonal Boron Nitride Nanomesh on Ru(0001)
-
Brugger, T.; Günther, S.; Wang, B.; Dil, J. H.; Bocquet, M.-L.; Osterwalder, J.; Wintterlin, J.; Greber, T. Comparison of Electronic Structure and Template Function of Single-Layer Graphene and a Hexagonal Boron Nitride Nanomesh on Ru(0001) Phys. Rev. B 2009, 79, 045407
-
(2009)
Phys. Rev. B
, vol.79
, pp. 045407
-
-
Brugger, T.1
Günther, S.2
Wang, B.3
Dil, J.H.4
Bocquet, M.-L.5
Osterwalder, J.6
Wintterlin, J.7
Greber, T.8
-
46
-
-
70350620815
-
A Theoretical Interpretation of Near Edge X-ray Absorption Fine Structure of Hexagonal Boron Nitride Monolayer on Ni(111)
-
Shimoyama, I.; Baba, Y.; Sekiguchi, T.; Nath, K. A Theoretical Interpretation of Near Edge X-ray Absorption Fine Structure of Hexagonal Boron Nitride Monolayer on Ni(111) J. Electron Spectrosc. Relat. Phenom. 2009, 175, 6-13
-
(2009)
J. Electron Spectrosc. Relat. Phenom.
, vol.175
, pp. 6-13
-
-
Shimoyama, I.1
Baba, Y.2
Sekiguchi, T.3
Nath, K.4
-
47
-
-
79955898786
-
Substrate-Induced Magnetism in BN Layer: A First-Principles Study
-
Zhou, Y.; Zu, X.; Gao, F. Substrate-Induced Magnetism in BN Layer: A First-Principles Study Solid State Commun. 2011, 151, 883-886
-
(2011)
Solid State Commun.
, vol.151
, pp. 883-886
-
-
Zhou, Y.1
Zu, X.2
Gao, F.3
-
49
-
-
0347986857
-
Boron Nitride Nanomesh
-
Corso, M.; Auwärter, W.; Muntwiler, M.; Tamai, A.; Greber, T.; Osterwalder, J. Boron Nitride Nanomesh Science 2004, 303, 217-220
-
(2004)
Science
, vol.303
, pp. 217-220
-
-
Corso, M.1
Auwärter, W.2
Muntwiler, M.3
Tamai, A.4
Greber, T.5
Osterwalder, J.6
-
50
-
-
34447333711
-
Boron Nitride Nanomesh: Functionality from a Corrugated Monolayer
-
Berner, S.; Corso, M.; Widmer, R.; Groening, O.; Laskowski, R.; Blaha, P.; Schwarz, K.; Goriachko, A.; Over, H.; Gsell, S.; Schreck, M.; Sachdev, H.; Greber, T.; Osterwalder, J. Boron Nitride Nanomesh: Functionality from a Corrugated Monolayer Angew. Chem., Int. Ed. 2007, 46, 5115-5119
-
(2007)
Angew. Chem., Int. Ed.
, vol.46
, pp. 5115-5119
-
-
Berner, S.1
Corso, M.2
Widmer, R.3
Groening, O.4
Laskowski, R.5
Blaha, P.6
Schwarz, K.7
Goriachko, A.8
Over, H.9
Gsell, S.10
Schreck, M.11
Sachdev, H.12
Greber, T.13
Osterwalder, J.14
-
51
-
-
77954867863
-
Ab Initio Study of h -BN Nanomeshes on Ru(001), Rh(111), and Pt(111)
-
Laskowski, R.; Blaha, P. Ab Initio Study of h -BN Nanomeshes on Ru(001), Rh(111), and Pt(111) Phys. Rev. B 2010, 81, 075418
-
(2010)
Phys. Rev. B
, vol.81
, pp. 075418
-
-
Laskowski, R.1
Blaha, P.2
-
52
-
-
84856142128
-
One-Dimensional Corrugation of the h -BN Monolayer on Fe(110)
-
Vinogradov, N. A.; Zakharov, A. A.; Ng, M. L.; Mikkelsen, A.; Lundgren, E.; MaÌŠrtensson, N.; Preobrajenski, A. B. One-Dimensional Corrugation of the h -BN Monolayer on Fe(110) Langmuir 2012, 28, 1775-1781
-
(2012)
Langmuir
, vol.28
, pp. 1775-1781
-
-
Vinogradov, N.A.1
Zakharov, A.A.2
Ng, M.L.3
Mikkelsen, A.4
Lundgren, E.5
Maìšrtensson, N.6
Preobrajenski, A.B.7
-
53
-
-
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
-
(2010)
Phys. Rev. B
, vol.82
, pp. 045407
-
-
Yazyev, O.V.1
Pasquarello, A.2
-
54
-
-
84867054763
-
Adsorption of Small Gold Clusters on the h -BN/Rh(111) Nanomesh
-
Koch, H. P.; Laskowski, R.; Blaha, P.; Schwarz, K. Adsorption of Small Gold Clusters on the h -BN/Rh(111) Nanomesh Phys. Rev. B 2012, 86, 155404
-
(2012)
Phys. Rev. B
, vol.86
, pp. 155404
-
-
Koch, H.P.1
Laskowski, R.2
Blaha, P.3
Schwarz, K.4
-
55
-
-
33745208986
-
More Accurate Generalized Gradient Approximation for Solids
-
Wu, Z.; Cohen, R. E. More Accurate Generalized Gradient Approximation for Solids Phys. Rev. B 2006, 73, 235116/1-6
-
(2006)
Phys. Rev. B
, vol.73
-
-
Wu, Z.1
Cohen, R.E.2
-
56
-
-
34047140419
-
Performance on Molecules, Surfaces, and Solids of the Wu-Cohen GGA Exchange-Correlation Energy Functional
-
Tran, F.; Laskowski, R.; Blaha, P.; Schwarz, K. Performance on Molecules, Surfaces, and Solids of the Wu-Cohen GGA Exchange-Correlation Energy Functional Phys. Rev. B 2007, 75, 115131
-
(2007)
Phys. Rev. B
, vol.75
, pp. 115131
-
-
Tran, F.1
Laskowski, R.2
Blaha, P.3
Schwarz, K.4
-
58
-
-
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
-
59
-
-
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
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 034701
-
-
Gao, M.1
Lyalin, A.2
Taketsugu, T.3
-
60
-
-
0033197383
-
Linear-Scaling ab-Initio Calculations for Large and Complex Systems
-
Artacho, E.; Sánchez-Portal, D.; Ordejón, P.; García, A.; Soler, J. M. Linear-Scaling ab-Initio Calculations for Large and Complex Systems Phys. Status Solidi B 1999, 215, 809-817
-
(1999)
Phys. Status Solidi B
, vol.215
, pp. 809-817
-
-
Artacho, E.1
Sánchez-Portal, D.2
Ordejón, P.3
García, A.4
Soler, J.M.5
-
61
-
-
0035894201
-
Numerical Atomic Orbitals for Linear-Scaling Calculations
-
Junquera, J.; Paz, O.; Sánchez-Portal, D.; Artacho, E. Numerical Atomic Orbitals for Linear-Scaling Calculations Phys. Rev. B 2001, 64, 235111/1-9
-
(2001)
Phys. Rev. B
, vol.64
-
-
Junquera, J.1
Paz, O.2
Sánchez-Portal, D.3
Artacho, E.4
-
62
-
-
0000238336
-
A Simplex Method for Function Minimization
-
Nelder, J. A.; Mead, R. A Simplex Method for Function Minimization Comput. J. 1965, 7, 308-313
-
(1965)
Comput. J.
, vol.7
, pp. 308-313
-
-
Nelder, J.A.1
Mead, R.2
-
63
-
-
33645426115
-
Efficient Pseudopotentials for Plane-Wave Calculations
-
Troullier, N.; Martins, J. L. Efficient Pseudopotentials for Plane-Wave Calculations Phys. Rev. B 1991, 43, 1993-2006
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993-2006
-
-
Troullier, N.1
Martins, J.L.2
-
64
-
-
0001161603
-
Efficacious Form for Model Pseudopotentials
-
Kleinman, L.; Bylander, D. M. Efficacious Form for Model Pseudopotentials Phys. Rev. Lett. 1982, 48, 1425-1428
-
(1982)
Phys. Rev. Lett.
, vol.48
, pp. 1425-1428
-
-
Kleinman, L.1
Bylander, D.M.2
-
65
-
-
0006838610
-
Density-Functional Method for Very Large Systems with LCAO Basis Sets
-
Sánchez-Portal, D.; Ordejón, P.; Artacho, E.; Soler, J. M. Density-Functional Method for Very Large Systems with LCAO Basis Sets Int. J. Quantum Chem. 1997, 65, 453-461
-
(1997)
Int. J. Quantum Chem.
, vol.65
, pp. 453-461
-
-
Sánchez-Portal, D.1
Ordejón, P.2
Artacho, E.3
Soler, J.M.4
-
66
-
-
0037171091
-
The SIESTA Method for ab Initio Order- N Materials Simulation
-
Soler, J. M.; Artacho, E.; Gale, J. D.; García, A.; Junquera, J.; Ordejón, P.; Sánchez-Portal, D. The SIESTA Method for ab Initio Order- N Materials Simulation J. Phys.: Condens. Matter 2002, 14, 2745-2779
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2745-2779
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
García, A.4
Junquera, J.5
Ordejón, P.6
Sánchez-Portal, D.7
-
67
-
-
12344258218
-
Computing the Properties of Materials from First Principles with SIESTA
-
Sánchez-Portal, D.; Ordejón, P.; Canadell, E. Computing the Properties of Materials from First Principles with SIESTA Struct. Bonding (Berlin) 2004, 113, 103-170
-
(2004)
Struct. Bonding (Berlin)
, vol.113
, pp. 103-170
-
-
Sánchez-Portal, D.1
Ordejón, P.2
Canadell, E.3
-
68
-
-
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
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
69
-
-
0000509460
-
Direct Elementary Reactions of Boron and Nitrogen at High Pressures and Temperatures
-
Yoo, C. S.; Akella, J.; Cynn, H.; Nicol, M. Direct Elementary Reactions of Boron and Nitrogen at High Pressures and Temperatures Phys. Rev. B 1997, 56, 140-146
-
(1997)
Phys. Rev. B
, vol.56
, pp. 140-146
-
-
Yoo, C.S.1
Akella, J.2
Cynn, H.3
Nicol, M.4
-
70
-
-
0004033098
-
-
John Wiley & Sons: New York
-
Wyckoff, R. W. G. Crystal Structures; John Wiley & Sons: New York, 1963; Vol. 1.
-
(1963)
Crystal Structures
, vol.1
-
-
Wyckoff, R.W.G.1
-
72
-
-
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, 354-360
-
(2006)
Comput. Mater. Sci.
, vol.36
, pp. 354-360
-
-
Henkelman, G.1
Arnaldsson, A.2
Jónsson, H.3
-
74
-
-
77249130960
-
Adsorption of Ethylene on Neutral, Anionic, and Cationic Gold Clusters
-
Lyalin, A.; Taketsugu, T. Adsorption of Ethylene on Neutral, Anionic, and Cationic Gold Clusters J. Phys. Chem. C 2010, 114, 2484-2493
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 2484-2493
-
-
Lyalin, A.1
Taketsugu, T.2
-
75
-
-
77953758004
-
Reactant-Promoted Oxygen Dissociation on Gold Clusters
-
Lyalin, A.; Taketsugu, T. Reactant-Promoted Oxygen Dissociation on Gold Clusters J. Phys. Chem. Lett. 2010, 1, 1752-1757
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 1752-1757
-
-
Lyalin, A.1
Taketsugu, T.2
-
77
-
-
4244215409
-
Evolution of the Electronic and Ionic Structure of Mg Clusters with Increase in Cluster Size
-
Lyalin, A.; Solov'yov, I. A.; Solov'yov, A. V.; Greiner, W. Evolution of the Electronic and Ionic Structure of Mg Clusters with Increase in Cluster Size Phys. Rev. A 2003, 67, 063203
-
(2003)
Phys. Rev. A
, vol.67
, pp. 063203
-
-
Lyalin, A.1
Solov'Yov, I.A.2
Solov'Yov, A.V.3
Greiner, W.4
-
78
-
-
34347344967
-
Interplay of Electronic and Geometry Shell Effects in Properties of Neutral and Charged Sr Clusters
-
Lyalin, A.; Solov'yov, I. A.; Solov'yov, A. V.; Greiner, W. Interplay of Electronic and Geometry Shell Effects in Properties of Neutral and Charged Sr Clusters Phys. Rev. A 2007, 75, 053201
-
(2007)
Phys. Rev. A
, vol.75
, pp. 053201
-
-
Lyalin, A.1
Solov'Yov, I.A.2
Solov'Yov, A.V.3
Greiner, W.4
-
79
-
-
33750020921
-
Structure and Magnetism of Lanthanum Clusters
-
Lyalin, A.; Solov'yov, A. V.; Greiner, W. Structure and Magnetism of Lanthanum Clusters Phys. Rev. A 2006, 74, 043201
-
(2006)
Phys. Rev. A
, vol.74
, pp. 043201
-
-
Lyalin, A.1
Solov'Yov, A.V.2
Greiner, W.3
-
80
-
-
0035963286
-
60 Fullerene Cage
-
60 Fullerene Cage J. Phys. B: At., Mol. Opt. Phys. 2001, 34, 2505-2511
-
(2001)
J. Phys. B: At., Mol. Opt. Phys.
, vol.34
, pp. 2505-2511
-
-
Connerade, J.P.1
Lyalin, A.G.2
Semaoune, R.3
Semenov, S.K.4
Solov'Yov, A.V.5
-
81
-
-
77954856761
-
Dynamical Effects in X-ray Absorption Spectra of Graphene and Monolayered h -BN on Ni(111)
-
Rusz, J.; Preobrajenski, A. B.; Ng, M. L.; Vinogradov, N. A.; MaÌŠrtensson, N.; Wessely, O.; Sanyal, B.; Eriksson, O. Dynamical Effects in X-ray Absorption Spectra of Graphene and Monolayered h -BN on Ni(111) Phys. Rev. B 2010, 81, 073402
-
(2010)
Phys. Rev. B
, vol.81
, pp. 073402
-
-
Rusz, J.1
Preobrajenski, A.B.2
Ng, M.L.3
Vinogradov, N.A.4
Maìš rtensson, N.5
Wessely, O.6
Sanyal, B.7
Eriksson, O.8
-
82
-
-
0001972254
-
Ultra-Thin Epitaxial Films of Graphite and Hexagonal Boron Nitride on Solid Surfaces
-
Oshima, C.; Nagashima, A. Ultra-Thin Epitaxial Films of Graphite and Hexagonal Boron Nitride on Solid Surfaces J. Phys.: Condens. Matter 1997, 9, 1-20
-
(1997)
J. Phys.: Condens. Matter
, vol.9
, pp. 1-20
-
-
Oshima, C.1
Nagashima, A.2
-
83
-
-
0001184318
-
Determining Adsorbate Structures from Substrate Emission X-ray Photoelectron Diffraction
-
Muntwiler, M.; Auwärter, W.; Baumberger, F.; Hoesch, M.; Greber, T.; Osterwalder, J. Determining Adsorbate Structures from Substrate Emission X-ray Photoelectron Diffraction Surf. Sci. 2001, 472, 125-132
-
(2001)
Surf. Sci.
, vol.472
, pp. 125-132
-
-
Muntwiler, M.1
Auwärter, W.2
Baumberger, F.3
Hoesch, M.4
Greber, T.5
Osterwalder, J.6
-
84
-
-
85029400214
-
Comment on "generalized Gradient Approximation Made Simple"
-
Zhang, Y.; Yang, W. Comment on "Generalized Gradient Approximation Made Simple" Phys. Rev. Lett. 1998, 80, 890-890
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 890-890
-
-
Zhang, Y.1
Yang, W.2
-
85
-
-
77951680464
-
A Consistent and Accurate ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
-
Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A Consistent and Accurate ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu J. Chem. Phys. 2010, 132, 154104
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 154104
-
-
Grimme, S.1
Antony, J.2
Ehrlich, S.3
Krieg, H.4
-
86
-
-
0035400825
-
Bandgap Energy of Graphite-Like Hexagonal Boron Nitride
-
Solozhenko, V.; Lazarenko, A.; Petitet, J.-P.; Kanaev, A. Bandgap Energy of Graphite-Like Hexagonal Boron Nitride J. Phys. Chem. Solids 2001, 62, 1331-1334
-
(2001)
J. Phys. Chem. Solids
, vol.62
, pp. 1331-1334
-
-
Solozhenko, V.1
Lazarenko, A.2
Petitet, J.-P.3
Kanaev, A.4
-
87
-
-
77956816745
-
Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)
-
Keith, J. A.; Jerkiewicz, G.; Jacob, T. Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111) ChemPhysChem 2010, 11, 2779-2794
-
(2010)
ChemPhysChem
, vol.11
, pp. 2779-2794
-
-
Keith, J.A.1
Jerkiewicz, G.2
Jacob, T.3
-
88
-
-
9744261716
-
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
-
Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.; Lindqvist, L.; Kitchin, J. R.; Bligaard, T.; Jónsson, H. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode J. Phys. Chem. B 2004, 108, 17886-17892
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 17886-17892
-
-
Nørskov, J.K.1
Rossmeisl, J.2
Logadottir, A.3
Lindqvist, L.4
Kitchin, J.R.5
Bligaard, T.6
Jónsson, H.7
-
89
-
-
33748319507
-
2 over a Pt Catalyst via Direct Oxygen Reduction
-
2 over a Pt Catalyst via Direct Oxygen Reduction Fuel Cells 2006, 06, 159-181
-
(2006)
Fuel Cells
, vol.6
, pp. 159-181
-
-
Jacob, T.1
-
90
-
-
78650154829
-
Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)
-
Keith, J. A.; Jacob, T. Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111) Angew. Chem., Int. Ed. 2010, 49, 9521-9525
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 9521-9525
-
-
Keith, J.A.1
Jacob, T.2
-
93
-
-
0041930985
-
-: Experiment and Theory
-
-: Experiment and Theory J. Am. Chem. Soc. 2003, 125, 10437-10445
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 10437-10445
-
-
Socaciu, L.D.1
Hagen, J.2
Bernhardt, T.M.3
Wöste, L.4
Heiz, U.5
Häkkinen, H.6
Landman, U.7
-
94
-
-
0141441946
-
Structural, Electronic, and Impurity-Doping Effects in Nanoscale Chemistry: Supported Gold Nanoclusters
-
Häkkinen, H.; Abbet, S.; Sanchez, A.; Heiz, U.; Landman, U. Structural, Electronic, and Impurity-Doping Effects in Nanoscale Chemistry: Supported Gold Nanoclusters Angew. Chem., Int. Ed. 2003, 42, 1297-1300
-
(2003)
Angew. Chem., Int. Ed.
, vol.42
, pp. 1297-1300
-
-
Häkkinen, H.1
Abbet, S.2
Sanchez, A.3
Heiz, U.4
Landman, U.5
-
95
-
-
0038622001
-
2 with Gold Clusters: Molecular and Dissociative Adsorption
-
2 with Gold Clusters: Molecular and Dissociative Adsorption J. Phys. Chem. A 2003, 107, 4066-4071
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4066-4071
-
-
Yoon, B.1
Häkkinen, H.2
Landman, U.3
-
96
-
-
51149111811
-
Theory and Simulation in Heterogeneous Gold Catalysis
-
Coquet, R.; Howard, K. L.; Willock, D. J. Theory and Simulation in Heterogeneous Gold Catalysis Chem. Soc. Rev. 2008, 37, 2046-2076
-
(2008)
Chem. Soc. Rev.
, vol.37
, pp. 2046-2076
-
-
Coquet, R.1
Howard, K.L.2
Willock, D.J.3
-
97
-
-
2942618698
-
Adsorption Energies of Molecular Oxygen on Au Clusters
-
Ding, X.; Li, Z.; Yang, J.; Hou, J. G.; Zhu, Q. Adsorption Energies of Molecular Oxygen on Au Clusters J. Chem. Phys. 2004, 120, 9594-9600
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9594-9600
-
-
Ding, X.1
Li, Z.2
Yang, J.3
Hou, J.G.4
Zhu, Q.5
-
99
-
-
33751287017
-
Oxygen Interactions with the Pt(111) Surface
-
Gland, J. L.; Sexton, B. A.; Fisher, G. B. Oxygen Interactions with the Pt(111) Surface Surf. Sci. 1980, 95, 587-602
-
(1980)
Surf. Sci.
, vol.95
, pp. 587-602
-
-
Gland, J.L.1
Sexton, B.A.2
Fisher, G.B.3
-
100
-
-
0001374351
-
A Molecular Beam Study of the Adsorption and Desorption of Oxygen from a Pt(111) Surface
-
Campbell, C.; Ertl, G.; Kuipers, H.; Segner, J. A Molecular Beam Study of the Adsorption and Desorption of Oxygen from a Pt(111) Surface Surf. Sci. 1981, 107, 220-236
-
(1981)
Surf. Sci.
, vol.107
, pp. 220-236
-
-
Campbell, C.1
Ertl, G.2
Kuipers, H.3
Segner, J.4
-
101
-
-
0141441962
-
Molecularly Chemisorbed Intermediates to Oxygen Adsorption on Pt(111): A Molecular Beam and Electron Energy-Loss Spectroscopy Study
-
Nolan, P. D.; Lutz, B. R.; Tanaka, P. L.; Davis, J. E.; Mullins, C. B. Molecularly Chemisorbed Intermediates to Oxygen Adsorption on Pt(111): A Molecular Beam and Electron Energy-Loss Spectroscopy Study J. Chem. Phys. 1999, 111, 3696-3704
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 3696-3704
-
-
Nolan, P.D.1
Lutz, B.R.2
Tanaka, P.L.3
Davis, J.E.4
Mullins, C.B.5
-
104
-
-
33746869990
-
Coverage Dependence and Hydroperoxyl-Mediated Pathway of Catalytic Water Formation on Pt(111) Surface
-
Qi, L.; Yu, J.; Li, J. Coverage Dependence and Hydroperoxyl-Mediated Pathway of Catalytic Water Formation on Pt(111) Surface J. Chem. Phys. 2006, 125, 054701
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 054701
-
-
Qi, L.1
Yu, J.2
Li, J.3
-
106
-
-
84866133090
-
A First-Principle Calculation of Sulfur Oxidation on Metallic Ni(111) and Pt(111), and Bimetallic Ni@Pt(111) and Pt@Ni(111) Surfaces
-
Yeh, C.-H.; Ho, J.-J. A First-Principle Calculation of Sulfur Oxidation on Metallic Ni(111) and Pt(111), and Bimetallic Ni@Pt(111) and Pt@Ni(111) Surfaces ChemPhysChem 2012, 13, 3194-3203
-
(2012)
ChemPhysChem
, vol.13
, pp. 3194-3203
-
-
Yeh, C.-H.1
Ho, J.-J.2
-
107
-
-
77949388207
-
Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction
-
Sha, Y.; Yu, T. H.; Liu, Y.; Merinov, B. V.; Goddard, W. A. Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction J. Phys. Chem. Lett. 2010, 1, 856-861
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 856-861
-
-
Sha, Y.1
Yu, T.H.2
Liu, Y.3
Merinov, B.V.4
Goddard, W.A.5
-
108
-
-
34247580365
-
Comparative Study of Water Dissociation on Rh(111) and Ni(111) Studied with First Principles Calculations
-
Pozzo, M.; Carlini, G.; Rosei, R.; Alfe, D. Comparative Study of Water Dissociation on Rh(111) and Ni(111) Studied with First Principles Calculations J. Chem. Phys. 2007, 126, 164706
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 164706
-
-
Pozzo, M.1
Carlini, G.2
Rosei, R.3
Alfe, D.4
-
109
-
-
0030734326
-
Adsorption of SH and OH and Coadsorption of S, O and H on Ni(111)
-
Yang, H.; Whitten, J. L. Adsorption of SH and OH and Coadsorption of S, O and H on Ni(111) Surf. Sci. 1997, 370, 136-154
-
(1997)
Surf. Sci.
, vol.370
, pp. 136-154
-
-
Yang, H.1
Whitten, J.L.2
-
110
-
-
84866862984
-
DFT Study of the Water-Gas Shift Reaction and Coke Formation on Ni(111) and Ni(211) Surfaces
-
Catapan, R. C.; Oliveira, A. A. M.; Chen, Y.; Vlachos, D. G. DFT Study of the Water-Gas Shift Reaction and Coke Formation on Ni(111) and Ni(211) Surfaces J. Phys. Chem. C 2012, 116, 20281-20291
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 20281-20291
-
-
Catapan, R.C.1
Oliveira, A.A.M.2
Chen, Y.3
Vlachos, D.G.4
-
111
-
-
33646152410
-
Study of High Coverages of Atomic Oxygen on the Pt(111) Surface
-
Parker, D. H.; Bartram, M. E.; Koel, B. E. Study of High Coverages of Atomic Oxygen on the Pt(111) Surface Surf. Sci. 1989, 217, 489-510
-
(1989)
Surf. Sci.
, vol.217
, pp. 489-510
-
-
Parker, D.H.1
Bartram, M.E.2
Koel, B.E.3
-
112
-
-
33646810135
-
Water Formation on Pt and Pt-Based Alloys: A Theoretical Description of a Catalytic Reaction
-
Jacob, T.; Goddard, W. A. Water Formation on Pt and Pt-Based Alloys: A Theoretical Description of a Catalytic Reaction ChemPhysChem 2006, 7, 992-1005
-
(2006)
ChemPhysChem
, vol.7
, pp. 992-1005
-
-
Jacob, T.1
Goddard, W.A.2
-
113
-
-
0000135641
-
The Interaction of Water with the Pt(111) Surface
-
Fisher, G. B.; Gland, J. L. The Interaction of Water with the Pt(111) Surface Surf. Sci. 1980, 94, 446-455
-
(1980)
Surf. Sci.
, vol.94
, pp. 446-455
-
-
Fisher, G.B.1
Gland, J.L.2
-
114
-
-
33751281897
-
Calculated Phase Diagrams for the Electrochemical Oxidation and Reduction of Water over Pt(111)
-
Rossmeisl, J.; Nørskov, J. K.; Taylor, C. D.; Janik, M. J.; Neurock, M. Calculated Phase Diagrams for the Electrochemical Oxidation and Reduction of Water over Pt(111) J. Phys. Chem. B 2006, 110, 21833-21839
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 21833-21839
-
-
Rossmeisl, J.1
Nørskov, J.K.2
Taylor, C.D.3
Janik, M.J.4
Neurock, M.5
-
115
-
-
34248655399
-
Electrochemical Reduction of Oxygen on Gold Surfaces: A Density Functional Theory Study of Intermediates and Reaction Paths
-
Vassilev, P.; Koper, M. T. M. Electrochemical Reduction of Oxygen on Gold Surfaces: A Density Functional Theory Study of Intermediates and Reaction Paths J. Phys. Chem. C 2007, 111, 2607-2613
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 2607-2613
-
-
Vassilev, P.1
Koper, M.T.M.2
-
116
-
-
80054715564
-
Density Functional Theory-Based Electrochemical Models for the Oxygen Reduction Reaction: Comparison of Modeling Approaches for Electric Field and Solvent Effects
-
Yeh, K.-Y.; Janik, M. J. Density Functional Theory-Based Electrochemical Models for the Oxygen Reduction Reaction: Comparison of Modeling Approaches for Electric Field and Solvent Effects J. Comput. Chem. 2011, 32, 3399-3408
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 3399-3408
-
-
Yeh, K.-Y.1
Janik, M.J.2
-
117
-
-
77956113221
-
The Oxygen Reduction Reaction Mechanism on Pt(111) from Density Functional Theory Calculations
-
Tripković, V.; Skúlason, E.; Siahrostami, S.; Nørskov, J. K.; Rossmeisl, J. The Oxygen Reduction Reaction Mechanism on Pt(111) from Density Functional Theory Calculations Electrochim. Acta 2010, 55, 7975-7981
-
(2010)
Electrochim. Acta
, vol.55
, pp. 7975-7981
-
-
Tripković, V.1
Skúlason, E.2
Siahrostami, S.3
Nørskov, J.K.4
Rossmeisl, J.5
-
119
-
-
0001216891
-
Electrode Kinetics of Oxygen Reduction on Oxide-Free Platinum Electrodes
-
Damjanovic, A.; Brusic, V. Electrode Kinetics of Oxygen Reduction on Oxide-Free Platinum Electrodes Electrochim. Acta 1967, 12, 615-628
-
(1967)
Electrochim. Acta
, vol.12
, pp. 615-628
-
-
Damjanovic, A.1
Brusic, V.2
-
121
-
-
10444240705
-
-
Springer: New York, Chapter 2
-
Koper, M. T. M. In Modern Aspects of Electrochemistry; Vayenas, C. G.; Conway, B. E.; White, R. E.; Gamboa-Adelco, M. E., Eds.; Springer: New York, 2004; Vol. 36, Chapter 2, pp 51-130.
-
(2004)
Modern Aspects of Electrochemistry
, vol.36
, pp. 51-130
-
-
Koper, M.T.M.1
Vayenas, C.G.2
Conway, B.E.3
White, R.E.4
Gamboa-Adelco, M.E.5
-
122
-
-
1042293939
-
Electronic Effects in the Electric Double Layer
-
Schmickler, W. Electronic Effects in the Electric Double Layer Chem. Rev. 1996, 96, 3177-3200
-
(1996)
Chem. Rev.
, vol.96
, pp. 3177-3200
-
-
Schmickler, W.1
-
123
-
-
33645498693
-
First Principles Reaction Modeling of the Electrochemical Interface: Consideration and Calculation of a Tunable Surface Potential from Atomic and Electronic Structure
-
Taylor, C. D.; Wasileski, S. A.; Filhol, J.-S.; Neurock, M. First Principles Reaction Modeling of the Electrochemical Interface: Consideration and Calculation of a Tunable Surface Potential from Atomic and Electronic Structure Phys. Rev. B 2006, 73, 165402
-
(2006)
Phys. Rev. B
, vol.73
, pp. 165402
-
-
Taylor, C.D.1
Wasileski, S.A.2
Filhol, J.-S.3
Neurock, M.4
-
124
-
-
84962376543
-
First-Principles Calculations of Charged Surfaces and Interfaces: A Plane-Wave Nonrepeated Slab Approach
-
Otani, M.; Sugino, O. First-Principles Calculations of Charged Surfaces and Interfaces: A Plane-Wave Nonrepeated Slab Approach Phys. Rev. B 2006, 73, 115407
-
(2006)
Phys. Rev. B
, vol.73
, pp. 115407
-
-
Otani, M.1
Sugino, O.2
-
125
-
-
35748978853
-
First-Principles Molecular Dynamics Simulation of Biased Electrode/Solution Interface
-
Sugino, O.; Hamada, I.; Otani, M.; Morikawa, Y.; Ikeshoji, T.; Okamoto, Y. First-Principles Molecular Dynamics Simulation of Biased Electrode/Solution Interface Surf. Sci. 2007, 601, 5237-5240
-
(2007)
Surf. Sci.
, vol.601
, pp. 5237-5240
-
-
Sugino, O.1
Hamada, I.2
Otani, M.3
Morikawa, Y.4
Ikeshoji, T.5
Okamoto, Y.6
-
126
-
-
54349097258
-
Electrode Dynamics from First Principles
-
Otani, M.; Hamada, I.; Sugino, O.; Morikawa, Y.; Okamoto, Y.; Ikeshoji, T. Electrode Dynamics from First Principles J. Phys. Soc. Jpn. 2008, 77, 024802
-
(2008)
J. Phys. Soc. Jpn.
, vol.77
, pp. 024802
-
-
Otani, M.1
Hamada, I.2
Sugino, O.3
Morikawa, Y.4
Okamoto, Y.5
Ikeshoji, T.6
-
127
-
-
45549103329
-
Structure of the Water/Platinum Interface - A First Principles Simulation under Bias Potential
-
Otani, M.; Hamada, I.; Sugino, O.; Morikawa, Y.; Okamoto, Y.; Ikeshoji, T. Structure of the Water/Platinum Interface-A First Principles Simulation under Bias Potential Phys. Chem. Chem. Phys. 2008, 10, 3609-3612
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 3609-3612
-
-
Otani, M.1
Hamada, I.2
Sugino, O.3
Morikawa, Y.4
Okamoto, Y.5
Ikeshoji, T.6
-
128
-
-
81255143535
-
Reversible Redox Reaction and Water Configuration on a Positively Charged Platinum Surface: First Principles Molecular Dynamics Simulation
-
Ikeshoji, T.; Otani, M.; Hamada, I.; Okamoto, Y. Reversible Redox Reaction and Water Configuration on a Positively Charged Platinum Surface: First Principles Molecular Dynamics Simulation Phys. Chem. Chem. Phys. 2011, 13, 20223-20227
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 20223-20227
-
-
Ikeshoji, T.1
Otani, M.2
Hamada, I.3
Okamoto, Y.4
-
129
-
-
0003445228
-
-
2 nd ed. Kluwer Academic/Plenum Publishers, New York
-
Bockris, J. O.; Reddy, A. K. Modern Electrochemistry 2B: Electrodics in Chemistry, Engineering, Biology and Environmental Science, 2 nd ed.; Kluwer Academic/Plenum Publishers, New York, 2001; pp 1539-1550.
-
(2001)
Modern Electrochemistry 2B: Electrodics in Chemistry, Engineering, Biology and Environmental Science
, pp. 1539-1550
-
-
Bockris, J.O.1
Reddy, A.K.2
-
130
-
-
0034321224
-
Catalytic Effect of Platinum on Oxygen Reduction An Ab Initio Model Including Electrode Potential Dependence
-
Anderson, A. B.; Albu, T. V. Catalytic Effect of Platinum on Oxygen Reduction An Ab Initio Model Including Electrode Potential Dependence J. Electrochem. Soc. 2000, 147, 4229-4238
-
(2000)
J. Electrochem. Soc.
, vol.147
, pp. 4229-4238
-
-
Anderson, A.B.1
Albu, T.V.2
|