-
3
-
-
34447502511
-
Catalytic activity of Au nano-particles
-
10.1016/S1748-0132(07)70113-5
-
Hvolbæk B, Janssens TVW, Clausen BC, Falsig H, Christensen CH, Nørskov JK (2007) Catalytic activity of Au nano-particles. Nano Today 2:14
-
(2007)
Nano Today
, vol.2
, pp. 14
-
-
Hvolbæk, B.1
Janssens, T.V.W.2
Clausen, B.C.3
Falsig, H.4
Christensen, C.H.5
Nørskov, J.K.6
-
4
-
-
80055011848
-
Understanding the catalytic activity of gold nano-particles through multi-scale simulations
-
1:CAS:528:DC%2BC3MXhtl2gs7%2FI 10.1016/j.jcat.2011.08.016
-
Brodersen SH, Grønbjerg U, Hvolbæk B, Schiøtz J (2011) Understanding the catalytic activity of gold nano-particles through multi-scale simulations. J Catal 284:34
-
(2011)
J Catal
, vol.284
, pp. 34
-
-
Brodersen, S.H.1
Grønbjerg, U.2
Hvolbæk, B.3
Schiøtz, J.4
-
5
-
-
25544446522
-
Interaction of hydrogen with Pt(111): The role of atomic steps
-
10.1016/0039-6028(76)90322-8
-
Christman K, Ertl G (1976) Interaction of hydrogen with Pt(111): the role of atomic steps. Surf Sci 60:365
-
(1976)
Surf Sci
, vol.60
, pp. 365
-
-
Christman, K.1
Ertl, G.2
-
7
-
-
84866657913
-
Low and non-platinum electrocatalysts for PEMFCs: Current status, challenges and prospects
-
10.1016/j.apcatb.2012.08.031
-
Brouzgoua A, Songb SQ, Tsiakaras P (2012) Low and non-platinum electrocatalysts for PEMFCs: current status, challenges and prospects. Appl Catal B 127:371
-
(2012)
Appl Catal B
, vol.127
, pp. 371
-
-
Brouzgoua, A.1
Songb, S.Q.2
Tsiakaras, P.3
-
8
-
-
84872086823
-
Peak utilization of catalyst with ultra-low Pt loaded PEM fuel cell electrodes prepared by the electrospray method
-
1:CAS:528:DC%2BC3sXhtF2msLo%3D 10.1016/j.jpowsour.2012.12.029
-
Martin S, Martinez-Vazquez B, Garcia-Ybarra PL, Castillo JL (2013) Peak utilization of catalyst with ultra-low Pt loaded PEM fuel cell electrodes prepared by the electrospray method. J Power Sourc 229:179
-
(2013)
J Power Sourc
, vol.229
, pp. 179
-
-
Martin, S.1
Martinez-Vazquez, B.2
Garcia-Ybarra, P.L.3
Castillo, J.L.4
-
9
-
-
0031643747
-
Surface studies of supported model catalysts
-
1:CAS:528:DyaK1cXlt1aiurw%3D 10.1016/S0167-5729(98)00002-8
-
Henry CR (1998) Surface studies of supported model catalysts. Surf Sci Rep 31:231
-
(1998)
Surf Sci Rep
, vol.31
, pp. 231
-
-
Henry, C.R.1
-
10
-
-
22444447850
-
Catalysis with transition metal nano-particles in colloidal solution: Nanoparticle shape dependence and stability
-
1:CAS:528:DC%2BD2MXkslOmtb0%3D 10.1021/jp051066p
-
Narayanan R, El-Sayed MA (2005) Catalysis with transition metal nano-particles in colloidal solution: nanoparticle shape dependence and stability. J Phys Chem B 109:12663
-
(2005)
J Phys Chem B
, vol.109
, pp. 12663
-
-
Narayanan, R.1
El-Sayed, M.A.2
-
11
-
-
80051801397
-
Finite size effects in chemical bonding: From small clusters to solids
-
1:CAS:528:DC%2BC3MXntVGktr8%3D 10.1007/s10562-011-0632-0
-
Kleis J, Greeley J, Romero NA, Morozov VA, Falsig H, Larsen AH, Lu J, Mortensen JJ, Dulak M, Thygesen KS, Nørskov JK, Jacobsen KW (2011) Finite size effects in chemical bonding: from small clusters to solids. Catal Lett 141:1067
-
(2011)
Catal Lett
, vol.141
, pp. 1067
-
-
Kleis, J.1
Greeley, J.2
Romero, N.A.3
Morozov, V.A.4
Falsig, H.5
Larsen, A.H.6
Lu, J.7
Mortensen, J.J.8
Dulak, M.9
Thygesen, K.S.10
Nørskov, J.K.11
Jacobsen, K.W.12
-
12
-
-
37749034814
-
Structure and reactivity of ruthenium nano-particles
-
10.1103/PhysRevB.77.035404
-
Gavnholt J, Schiøtz J (2008) Structure and reactivity of ruthenium nano-particles. Phys Rev B 77:035404
-
(2008)
Phys Rev B
, vol.77
, pp. 035404
-
-
Gavnholt, J.1
Schiøtz, J.2
-
13
-
-
0035846385
-
2O on Pt(110)
-
1:CAS:528:DC%2BD3MXmslOgs7s%3D 10.1021/jp011684f
-
2O on Pt(110). J Phys Chem B 105:9793
-
(2001)
J Phys Chem B
, vol.105
, pp. 9793
-
-
Lu, C.1
Masel, R.2
-
16
-
-
34250703763
-
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode
-
10.1039/b700099e
-
Skúlason E, Karlberg GS, Rossmeisl J, Bligaard T, Greeley J, Jónsson H, Nørskov JK (2007) Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode. Phys Chem Chem Phys 9:3241
-
(2007)
Phys Chem Chem Phys
, vol.9
, pp. 3241
-
-
Skúlason, E.1
Karlberg, G.S.2
Rossmeisl, J.3
Bligaard, T.4
Greeley, J.5
Jónsson, H.6
Nørskov, J.K.7
-
17
-
-
55649091867
-
Modeling the electrified solidliquid interface
-
1:CAS:528:DC%2BD1cXhtlyjt7bP 10.1016/j.cplett.2008.10.024
-
Rossmeisl J, Skúlason E, Björketun M, Tripkovic V, Nørskov J (2008) Modeling the electrified solidliquid interface. Chem Phys Lett 466:68
-
(2008)
Chem Phys Lett
, vol.466
, pp. 68
-
-
Rossmeisl, J.1
Skúlason, E.2
Björketun, M.3
Tripkovic, V.4
Nørskov, J.5
-
18
-
-
77958546357
-
Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations
-
10.1021/jp1048887
-
Skúlason E, Tripkovic V, Björketun ME, Gudmundsdóttir S, Karlberg G, Rossmeisl J, Bligaard T, Jónsson H, Nørskov JK (2010) Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations. J Phys Chem C 114:18182
-
(2010)
J Phys Chem C
, vol.114
, pp. 18182
-
-
Skúlason, E.1
Tripkovic, V.2
Björketun, M.E.3
Gudmundsdóttir, S.4
Karlberg, G.5
Rossmeisl, J.6
Bligaard, T.7
Jónsson, H.8
Nørskov, J.K.9
-
19
-
-
80053603980
-
Standard hydrogen electrode and potential of zero charge in density functional calculations
-
10.1103/PhysRevB.84.115452
-
Tripkovic V, Björketun ME, Skúlason E, Rossmeisl J (2011) Standard hydrogen electrode and potential of zero charge in density functional calculations. Phys Rev B 84:115452
-
(2011)
Phys Rev B
, vol.84
, pp. 115452
-
-
Tripkovic, V.1
Björketun, M.E.2
Skúlason, E.3
Rossmeisl, J.4
-
20
-
-
84870532887
-
Modeling of the symmetry factor of electrochemical proton discharge via the Volmer reaction
-
10.1016/j.cattod.2012.05.044
-
Björketun ME, Tripkovic V, Skúlason E, Rossmeisl J (2013) Modeling of the symmetry factor of electrochemical proton discharge via the Volmer reaction. Catal Today 202:168
-
(2013)
Catal Today
, vol.202
, pp. 168
-
-
Björketun, M.E.1
Tripkovic, V.2
Skúlason, E.3
Rossmeisl, J.4
-
21
-
-
84871389951
-
Avoiding pitfalls in the modeling of electrochemical interfaces
-
10.1016/j.cplett.2012.11.025
-
Björketun ME, Zeng Z, Ahmed R, Tripkovic V, Thygesen KS, Rossmeisl J (2013) Avoiding pitfalls in the modeling of electrochemical interfaces. Chem Phys Lett 555:145
-
(2013)
Chem Phys Lett
, vol.555
, pp. 145
-
-
Björketun, M.E.1
Zeng, Z.2
Ahmed, R.3
Tripkovic, V.4
Thygesen, K.S.5
Rossmeisl, J.6
-
22
-
-
84881099740
-
PH in atomic scale simulations of electrochemical interfaces
-
Rossmeisl J, Chan K, Ahmed R, Tripkovic V, Björketun ME (2013) pH in atomic scale simulations of electrochemical interfaces. Phys Chem Chem Phys 15:10321
-
(2013)
Phys Chem Chem Phys
, vol.15
, pp. 10321
-
-
Rossmeisl, J.C.1
-
23
-
-
34548790611
-
Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles
-
1:STN:280:DC%2BD2sngslemsg%3D%3D 10.1103/PhysRevLett.99.126101
-
Karlberg GS, Jaramillo TF, Skúlason E, Rossmeisl J, Bligaard T, Nørskov JK (2007) Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles. Phys Rev Lett 99:126101
-
(2007)
Phys Rev Lett
, vol.99
, pp. 126101
-
-
Karlberg, G.S.1
Jaramillo, T.F.2
Skúlason, E.3
Rossmeisl, J.4
Bligaard, T.5
Nørskov, J.K.6
-
24
-
-
0033235339
-
Nobel lecture: Electronic structure of matter - Wave functions and density functionals Rev
-
10.1103/RevModPhys.71.1253
-
Kohn W (1998) Nobel lecture: electronic structure of matter - wave functions and density functionals Rev Mod Phys 71:1253
-
(1998)
Mod Phys
, vol.71
, pp. 1253
-
-
Kohn, W.1
-
25
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
1:CAS:528:DyaK28Xms1Whu7Y%3D 10.1103/PhysRevB.54.11169
-
Kresse G, Furthmüller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169
-
(1996)
Phys Rev B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
26
-
-
4644265529
-
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
-
10.1103/PhysRevB.59.7413
-
Hammer B, Hansen LB, Nørskov JK (1999) Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. Phys Rev B 46:7413
-
(1999)
Phys Rev B
, vol.46
, pp. 7413
-
-
Hammer, B.1
Hansen, L.B.2
Nørskov, J.K.3
-
27
-
-
20544463457
-
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
-
10.1103/PhysRevB.41.7892
-
Vanderbilt D (1990) Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys Rev B 41:7892
-
(1990)
Phys Rev B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
28
-
-
0000220710
-
Nudged elastic band method for finding minimum energy paths of transitions
-
Berne BJ, Ciccotti G, Coker DF (ed) World Scientific, Berkeley
-
Jónsson H, Mills G, Jacobsen KW (1998) Nudged elastic band method for finding minimum energy paths of transitions. In: Berne BJ, Ciccotti G, Coker DF (ed) Classical and quantum dynamics in condensed phase simulations, World Scientific, Berkeley, pp 385
-
(1998)
Classical and Quantum Dynamics in Condensed Phase Simulations
, pp. 385
-
-
Jónsson, H.M.1
-
29
-
-
0034513054
-
A climbing-image NEB method for finding saddle points and minimum energy paths
-
1:CAS:528:DC%2BD3cXosFagurc%3D 10.1063/1.1329672
-
Henkelman G, Uberuaga B, Jónsson H (2000) A climbing-image NEB method for finding saddle points and minimum energy paths. J Chem Phys 113:9901
-
(2000)
J Chem Phys
, vol.113
, pp. 9901
-
-
Henkelman, G.1
Uberuaga, B.2
Jónsson, H.3
-
30
-
-
1242329035
-
Improved tangent estimate in the NEB method for finding minimum energy paths and saddle points
-
1:CAS:528:DC%2BD3cXosFagu7Y%3D 10.1063/1.1323224
-
Henkelman G, Jónsson H (2000) Improved tangent estimate in the NEB method for finding minimum energy paths and saddle points. J Chem Phys 113:9978
-
(2000)
J Chem Phys
, vol.113
, pp. 9978
-
-
Henkelman, G.1
Jónsson, H.2
-
31
-
-
19744381125
-
H on Pt(110): An atypical chemisorption site at low coverages
-
10.1103/PhysRevB.70.121401
-
Zhang Z, Minca M, Deisl C, Loerting T, Menzel A, Bertel E (2004) H on Pt(110): an atypical chemisorption site at low coverages. Phys Rev B 70:121401
-
(2004)
Phys Rev B
, vol.70
, pp. 121401
-
-
Zhang, Z.1
Minca, M.2
Deisl, C.3
Loerting, T.4
Menzel, A.5
Bertel, E.6
-
32
-
-
35748929275
-
Chemisorption of hydrogen on the missing-row Pt(110)-(1 × 2) surface
-
1:CAS:528:DC%2BD2sXpvVensrY%3D 10.1007/s11244-007-0326-4
-
Minca M, Penner S, Loerting T, Menzel A, Bertel E, Zucca R, Redinger J (2007) Chemisorption of hydrogen on the missing-row Pt(110)-(1 × 2) surface. Top Catal 46:161
-
(2007)
Top Catal
, vol.46
, pp. 161
-
-
Minca, M.1
Penner, S.2
Loerting, T.3
Menzel, A.4
Bertel, E.5
Zucca, R.6
Redinger, J.7
-
34
-
-
84875863945
-
Hydrogen adsorption and desorption at the Pt(110)-(1 × 2) surface: Experimental and theoretical study
-
10.1039/c3cp44503h
-
Gudmundsdóttir S, Skúlason E, Weststrate K-J, Juurlink L, Jónsson H (2013) Hydrogen adsorption and desorption at the Pt(110)-(1 × 2) surface: experimental and theoretical study. Phys Chem Chem Phys 15:6323
-
(2013)
Phys Chem Chem Phys
, vol.15
, pp. 6323
-
-
Gudmundsdóttir, S.1
Skúlason, E.2
Weststrate, K.-J.3
Juurlink, L.4
Jónsson, H.5
-
35
-
-
17144468969
-
Adsorption and diffusion on a stepped surface: Atomic hydrogen on Pt(211)
-
1:CAS:528:DC%2BD2cXkvVantro%3D 10.1063/1.1755664
-
Olsen RA, Badescu SC, Ying SC, Baerends EJ (2004) Adsorption and diffusion on a stepped surface: atomic hydrogen on Pt(211). J Chem Phys 120:11852
-
(2004)
J Chem Phys
, vol.120
, pp. 11852
-
-
Olsen, R.A.1
Badescu, S.C.2
Ying, S.C.3
Baerends, E.J.4
-
36
-
-
68949143364
-
Electronic properties of H on vicinal Pt surfaces: First-principles study
-
10.1103/PhysRevB.80.035403
-
Vehviläinen T, Salo P, Ala-Nissilä T, Ying SC (2009) Electronic properties of H on vicinal Pt surfaces: first-principles study. Phys Rev B 80:035403
-
(2009)
Phys Rev B
, vol.80
, pp. 035403
-
-
Vehviläinen, T.1
Salo, P.2
Ala-Nissilä, T.3
Ying, S.C.4
-
37
-
-
0000170227
-
The role of steps in the dynamics of hydrogen dissociation on Pt(533)
-
1:CAS:528:DC%2BD3cXis1antrw%3D 10.1063/1.481360
-
Gee AT, Hayden BE, Mormiche C, Nunney TS (2000) The role of steps in the dynamics of hydrogen dissociation on Pt(533). J Phys Chem 112:7660
-
(2000)
J Phys Chem
, vol.112
, pp. 7660
-
-
Gee, A.T.1
Hayden, B.E.2
Mormiche, C.3
Nunney, T.S.4
-
38
-
-
0001283481
-
The chemisorption of hydrogen on the (111) and (110)-(1 × 2) surfaces of iridium and platinum
-
1:CAS:528:DyaL2sXlvVChurs%3D 10.1063/1.453048
-
Engstrom JR, Tsai W, Weinberg WH (1987) The chemisorption of hydrogen on the (111) and (110)-(1 × 2) surfaces of iridium and platinum. J Chem Phys 87:3104
-
(1987)
J Chem Phys
, vol.87
, pp. 3104
-
-
Engstrom, J.R.1
Tsai, W.2
Weinberg, W.H.3
-
39
-
-
33344465078
-
Unusual adsorption site of hydrogen on the unreconstructed Ir(100) surface
-
10.1103/PhysRevB.73.075430
-
Lerch D, Klein A, Schmidt A, Müller S, Hammer L, Heinz K, Weinert M (2006) Unusual adsorption site of hydrogen on the unreconstructed Ir(100) surface. Phys Rev B 73:075430
-
(2006)
Phys Rev B
, vol.73
, pp. 075430
-
-
Lerch, D.1
Klein, A.2
Schmidt, A.3
Müller, S.4
Hammer, L.5
Heinz, K.6
Weinert, M.7
-
40
-
-
35748981210
-
Surface resonances on transition metals as low-dimensional model systems
-
10.1088/1367-2630/9/10/386
-
Minca M, Penner S, Dona E, Menzel A, Bertel E, Brouet V, Redinger J (2007) Surface resonances on transition metals as low-dimensional model systems. New J Phys 9:386
-
(2007)
New J Phys
, vol.9
, pp. 386
-
-
Minca, M.1
Penner, S.2
Dona, E.3
Menzel, A.4
Bertel, E.5
Brouet, V.6
Redinger, J.7
-
41
-
-
77649231421
-
Hydrogen adsorption on palladium and palladium hydride at 1 bar
-
1:CAS:528:DC%2BC3cXivVyku7w%3D 10.1016/j.susc.2010.01.023
-
Johansson M, Skúlason E, Nielsen G, Murphy S, Nielsen RM, Chorkendorff I (2010) Hydrogen adsorption on palladium and palladium hydride at 1 bar. Surf Sci 604:718
-
(2010)
Surf Sci
, vol.604
, pp. 718
-
-
Johansson, M.1
Skúlason, E.2
Nielsen, G.3
Murphy, S.4
Nielsen, R.M.5
Chorkendorff, I.6
-
42
-
-
84862684458
-
A systematic DFT study of hydrogen diffusion on transition metal surfaces
-
10.1016/j.susc.2012.04.028
-
Kristinsdóttir L, Skúlason E (2012) A systematic DFT study of hydrogen diffusion on transition metal surfaces. Surf Sci 606:1400
-
(2012)
Surf Sci
, vol.606
, pp. 1400
-
-
Kristinsdóttir, L.1
Skúlason, E.2
-
44
-
-
80053463521
-
A theoretical consideration on the surface structure and nano particle size effect of Pt in hydrogen electrocatalysis
-
1:CAS:528:DC%2BC3MXhtFGgtrjL 10.1021/jp207015w
-
Yang F, Zhang Q, Liu Y, Chen S (2011) A theoretical consideration on the surface structure and nano particle size effect of Pt in hydrogen electrocatalysis. J Phys Chem C 115:19311
-
(2011)
J Phys Chem C
, vol.115
, pp. 19311
-
-
Yang, F.1
Zhang, Q.2
Liu, Y.3
Chen, S.4
|