-
1
-
-
0029310312
-
Role of structural and electronic properties of Pt and Pt alloys on electrocatalysis of oxygen reduction. An in Situ XANES and EXAFS investigation
-
Mukerjee, S.; Srinivasan, S.; Soriaga, M. P.; McBreen, J. Role of Structural and Electronic Properties of Pt and Pt Alloys on Electrocatalysis of Oxygen Reduction. An in Situ XANES and EXAFS Investigation. J. Electrochem. Soc. 1995, 142, 1409-1422.
-
(1995)
J. Electrochem. Soc.
, vol.142
, pp. 1409-1422
-
-
Mukerjee, S.1
Srinivasan, S.2
Soriaga, M.P.3
McBreen, J.4
-
2
-
-
17044363177
-
Controlling the catalytic activity of platinum-monolayer electrocatalysts for oxygen reduction with different substrates
-
Zhang, J.; Vukmirovic, M. B.; Xu, Y.; Mavrikakis, M.; Adzic, R. R. Controlling the Catalytic Activity of Platinum-Monolayer Electrocatalysts for Oxygen Reduction with Different Substrates. Angew. Chem., Int. Ed. 2005, 44, 2132-2135.
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 2132-2135
-
-
Zhang, J.1
Vukmirovic, M.B.2
Xu, Y.3
Mavrikakis, M.4
Adzic, R.R.5
-
3
-
-
61649122829
-
3Co" nanoparticles: Atomically resolved chemical compositions and structures
-
3Co" Nanoparticles: Atomically Resolved Chemical Compositions and Structures. J. Phys. Chem. C 2009, 113, 1109-1125.
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 1109-1125
-
-
Chen, S.1
Sheng, W.C.2
Yabuuchi, N.3
Ferreira, P.J.4
Allard, L.F.5
Shao-Horn, Y.6
-
4
-
-
70349554396
-
Alloys of platinum and early transition metals as oxygenreduction electrocatalysts
-
Greeley, J.; Stephens, I. E. L.; Bondarenko, A. S.; Johansson, T. P.; Hansen,H. A.; Jaramillo, T. F.; Rossmeisl, J.; Chorkendorff, I.; Norskov, J. K. Alloys of Platinum and Early Transition Metals As OxygenReduction Electrocatalysts. Nat. Chem. 2009, 1, 552-556.
-
(2009)
Nat. Chem.
, vol.1
, pp. 552-556
-
-
Greeley, J.1
Stephens, I.E.L.2
Bondarenko, A.S.3
Johansson, T.P.4
Hansen, H.A.5
Jaramillo, T.F.6
Rossmeisl, J.7
Chorkendorff, I.8
Norskov, J.K.9
-
5
-
-
0037033284
-
In situ STM imaging of surface dissolution and rearrangement of a Pt-Fe alloy electrocatalyst in electrolyte solution
-
Wan, L. J.; Moriyama, T.; Ito, M.; Uchida, H.;Watanabe, M. In Situ STM Imaging of Surface Dissolution and Rearrangement of a Pt-Fe Alloy Electrocatalyst in Electrolyte Solution. Chem. Commun. 2002, 58-59.
-
(2002)
Chem. Commun.
, pp. 58-59
-
-
Wan, L.J.1
Moriyama, T.2
Ito, M.3
Uchida, H.4
Watanabe, M.5
-
6
-
-
34247635629
-
Electrochemical dissolution of surface alloys in acids: Thermodynamics trends from first principles calculations
-
Greeley, J.; Norskov, J. K. Electrochemical Dissolution of Surface Alloys in Acids: Thermodynamics Trends from First Principles Calculations. Electrochim. Acta 2007, 52, 5829-5836.
-
(2007)
Electrochim. Acta
, vol.52
, pp. 5829-5836
-
-
Greeley, J.1
Norskov, J.K.2
-
7
-
-
45749098897
-
Voltammetric surface dealloying of pt bimetallic nanoparticles: An experimental and DFT computational analysis
-
Strasser, P.; Koh, S.; Greeley, J. Voltammetric Surface Dealloying of Pt Bimetallic Nanoparticles: An Experimental and DFT Computational Analysis. Phys. Chem. Chem. Phys. 2008, 10, 3670-3683.
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 3670-3683
-
-
Strasser, P.1
Koh, S.2
Greeley, J.3
-
8
-
-
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
Markovic, N.M.7
-
9
-
-
77149172040
-
Surface segregation and stability of core-shell alloy catalysts for oxygen reduction in acid medium
-
10.1039/B917899F
-
Ramirez-Caballero, G. E.; Ma, Y.; Callejas-Tovar, R.; Balbuena, P. B. Surface Segregation and Stability of Core-Shell Alloy Catalysts for Oxygen Reduction in Acid Medium. Phys. Chem. Chem. Phys. 2010, DOI: 10.1039/B917899F.
-
(2010)
Phys. Chem. Chem. Phys.
-
-
Ramirez-Caballero, G.E.1
Ma, Y.2
Callejas-Tovar, R.3
Balbuena, P.B.4
-
10
-
-
0001655275
-
Study of the interaction of ultrathin Cu films with Pd(111)
-
Liu, G.; Clair, T. P. S.; Goodman, D.W.; An, X. P. S. Study of the Interaction of Ultrathin Cu Films with Pd(111). J. Phys. Chem. B 1999, 103, 8578-8582.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 8578-8582
-
-
Liu, G.1
Clair, T.P.S.2
Goodman, D.W.3
An, X.P.S.4
-
11
-
-
0001154206
-
Adlayer core-level shifts of admetal monolayers on transition-metal substrates and their relation to the surface chemical reactivity
-
Hennig, D.; Ganduglia-Pirovano, M. V.; Scheffler, M. Adlayer Core-Level Shifts of Admetal Monolayers on Transition-Metal Substrates and Their Relation to the Surface Chemical Reactivity. Phys. Rev. B 1996, 53, 10344-10347.
-
(1996)
Phys. Rev. B
, vol.53
, pp. 10344-10347
-
-
Hennig, D.1
Ganduglia-Pirovano, M.V.2
Scheffler, M.3
-
12
-
-
33646792242
-
Migration of carbon into subsurface layers of Rh(100): A DFT study
-
Nieskens, D. L. S.; Curulla-Ferre, D.; Niemantsverdriet, J. W. Migration of Carbon into Subsurface Layers of Rh(100): A DFT Study. ChemPhysChem 2006, 7, 1022-1025.
-
(2006)
ChemPhysChem
, vol.7
, pp. 1022-1025
-
-
Nieskens, D.L.S.1
Curulla-Ferre, D.2
Niemantsverdriet, J.W.3
-
13
-
-
2442537377
-
Efficient iterative schemes for AB initio total-energy calculations using a plane-wave basis set
-
Kresse, G.; Furthmueller, 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
Furthmueller, J.2
-
14
-
-
27744460065
-
Ab initio molecular-dynamics simulation of the liquid-metal-amorphous- semiconductor transition in germanium
-
Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium. Phys. Rev. B 1994, 49, 14251-14269.
-
(1994)
Phys. Rev. B
, vol.49
, pp. 14251-14269
-
-
Kresse, G.1
Hafner, J.2
-
15
-
-
35949007146
-
Ab initio molecular dynamics for open-shell transition metals
-
Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Open-Shell Transition Metals. Phys. Rev. B 1993, 48, 13115-13118.
-
(1993)
Phys. Rev. B
, vol.48
, pp. 13115-13118
-
-
Kresse, G.1
Hafner, J.2
-
16
-
-
12844286241
-
Ab initio molecular dynamics of liquid metals
-
Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics of Liquid Metals. Phys. Rev. B 1993, 47, 558-561.
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558-561
-
-
Kresse, G.1
Hafner, J.2
-
17
-
-
0030190741
-
Efficiency of Ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
Kresse, G.; Furthmuller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set. Comput. Mater. Sci. 1996, 6, 15-50.
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
18
-
-
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
-
19
-
-
25744460922
-
Projector augmented-wave method
-
Bloechl, P. E. Projector Augmented-Wave Method. Phys. Rev. B 1994, 50, 17953-17979.
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Bloechl, P.E.1
-
20
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method. Phys. Rev. B 1999, 59, 1758-1775.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
21
-
-
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
-
22
-
-
0000720337
-
High-precision sampling for Brillouin-zone integration in metals
-
Methfessel, M.; Paxton, A. T. High-Precision Sampling for Brillouin-Zone Integration in Metals. Phys. Rev. B 1989, 40, 3616-3621.
-
(1989)
Phys. Rev. B
, vol.40
, pp. 3616-3621
-
-
Methfessel, M.1
Paxton, A.T.2
-
23
-
-
0003998388
-
-
77th ed.; Lide D. R., Ed.; CRC Press: Boca Raton, FL
-
Handbook of Chemistry and Physics, 77th ed.; Lide, D. R., Ed.; CRC Press: Boca Raton, FL, 1997.
-
(1997)
Handbook of Chemistry and Physics
-
-
-
24
-
-
37549037808
-
3M alloys: A density functional theory study
-
3M Alloys: A Density Functional Theory Study. Surf. Sci. 2008, 602, 107-113.
-
(2008)
Surf. Sci.
, vol.602
, pp. 107-113
-
-
Ma, Y.1
Balbuena, P.B.2
-
25
-
-
53149097320
-
3M alloys in the presence of adsorbates
-
3M Alloys in the Presence of Adsorbates. J. Phys.Chem. C 2008, 112, 14520-14528.
-
(2008)
J. Phys.Chem. C
, vol.112
, pp. 14520-14528
-
-
Ma, Y.1
Balbuena, P.B.2
-
26
-
-
33745753520
-
Fast and robust algorithm for bader decomposition of charge density
-
Henkelman, G.; Arnaldsson, A.; Jönsson, 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
Jönsson, H.A.3
-
27
-
-
33947658923
-
Improved grid-based algorithm for bader charge allocation
-
Sanville, E.; Kenny, S. D.; Smith, R.; Henkelman, G. Improved Grid-Based Algorithm for Bader Charge Allocation. J. Comput. Chem. 2007, 28, 899-908.
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 899-908
-
-
Sanville, E.1
Kenny, S.D.2
Smith, R.3
Henkelman, G.4
|