-
1
-
-
43049085214
-
Hybrid functionals applied to extended systems
-
DOI 10.1088/0953-8984/20/6/064201, PII S0953898408638928
-
M. Marsman, J. Paier, A. Stroppa, and G. Kresse, J. Phys.: Condens. Matter 20, 064201 (2008). 10.1088/0953-8984/20/6/064201 (Pubitemid 351622636)
-
(2008)
Journal of Physics Condensed Matter
, vol.20
, Issue.6
, pp. 064201
-
-
Marsman, M.1
Paier, J.2
Stroppa, A.3
Kresse, G.4
-
2
-
-
77956062988
-
-
10.1038/nmat2806
-
L. Schimka, J. Harl, A. Stroppa, A. Grneis, M. Marsman, F. Mittendorfer, and G. Kresse, Nature Mater. 9, 741 (2010). 10.1038/nmat2806
-
(2010)
Nature Mater.
, vol.9
, pp. 741
-
-
Schimka, L.1
Harl, J.2
Stroppa, A.3
Grneis, A.4
Marsman, M.5
Mittendorfer, F.6
Kresse, G.7
-
3
-
-
36649035318
-
-
10.1103/PhysRevB.76.195440
-
A. Stroppa, K. Termentzidis, J. Paier, G. Kresse, and J. Hafner, Phys. Rev. B 76, 195440 (2007). 10.1103/PhysRevB.76.195440
-
(2007)
Phys. Rev. B
, vol.76
, pp. 195440
-
-
Stroppa, A.1
Termentzidis, K.2
Paier, J.3
Kresse, G.4
Hafner, J.5
-
6
-
-
33745795945
-
Formation and interaction of hydrated alkali metal ions at the graphite-water interface
-
DOI 10.1063/1.2206591
-
S. Meng and S. Gao, J. Chem. Phys. 125, 014708 (2006). 10.1063/1.2206591 (Pubitemid 44025513)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.1
, pp. 014708
-
-
Meng, S.1
Gao, S.2
-
7
-
-
12344293789
-
Consistent picture for the wetting structure of water/Ru(0 0 0 1)
-
DOI 10.1016/j.cplett.2004.12.065, PII S0009261404020214
-
S. Meng, E. G. Wang, C. Frischkorn, M. Wolf, and S. Gao, Chem. Phys. Lett. 402, 384 (2005). 10.1016/j.cplett.2004.12.065 (Pubitemid 40126606)
-
(2005)
Chemical Physics Letters
, vol.402
, Issue.4-6
, pp. 384-388
-
-
Meng, S.1
Wang, E.G.2
Frischkorn, Ch.3
Wolf, M.4
Gao, S.5
-
8
-
-
0027539869
-
X-ray photoelectron spectroscopy study of the vanadia-titania catalysts
-
DOI 10.1016/0169-4332(93)90268-G
-
G. Chiarello, D. Robba, G. De Michele, and F. Parmigiani, Appl. Surf. Sci. 64, 91 (1993). 10.1016/0169-4332(93)90268-G (Pubitemid 23616686)
-
(1993)
Applied Surface Science
, vol.64
, Issue.2
, pp. 91-96
-
-
Chiarello, G.1
Robba, D.2
De Michele, G.3
Parmigiani, F.4
-
9
-
-
38849174700
-
A RAIRS, TPD, and DFT study of carbon monoxide adsorption on stepped Rh(553)
-
DOI 10.1021/jp076080b
-
H. P. Koch, P. Singnurkar, R. Schennach, A. Stroppa, and F. Mittendorfer, J. Phys. Chem. C 112, 806 (2008). 10.1021/jp076080b (Pubitemid 351206055)
-
(2008)
Journal of Physical Chemistry C
, vol.112
, Issue.3
, pp. 806-812
-
-
Koch, H.P.1
Singnurkar, P.2
Schennach, R.3
Stroppa, A.4
Mittendorfer, F.5
-
11
-
-
77958485184
-
-
10.1038/nmat2878
-
J. Snyder, T. Fujita, M. W. Chen, and J. Erlebacher, Nature Mater. 9, 904 (2010). 10.1038/nmat2878
-
(2010)
Nature Mater.
, vol.9
, pp. 904
-
-
Snyder, J.1
Fujita, T.2
Chen, M.W.3
Erlebacher, J.4
-
13
-
-
79953030036
-
-
10.1007/s11244-011-9665-2
-
A. Siani, B. Captain, R. D. Adams, O. S. Alexeev, and M. D. Amiridis, Top. Catal. 54, 1 (2011). 10.1007/s11244-011-9665-2
-
(2011)
Top. Catal.
, vol.54
, pp. 1
-
-
Siani, A.1
Captain, B.2
Adams, R.D.3
Alexeev, O.S.4
Amiridis, M.D.5
-
14
-
-
1642383356
-
-
10.1088/0305-4608/13/4/022
-
M. De Crescenzi, E. Colavita, L. Papagno, G. Chiarello, R. Scarmozzino, L. S. Caputi, and R. Rosei, J. Phys. F 13, 895 (1983). 10.1088/0305-4608/13/4/ 022
-
(1983)
J. Phys. F
, vol.13
, pp. 895
-
-
De Crescenzi, M.1
Colavita, E.2
Papagno, L.3
Chiarello, G.4
Scarmozzino, R.5
Caputi, L.S.6
Rosei, R.7
-
15
-
-
46449109645
-
Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene
-
DOI 10.1126/science.1156660
-
F. Studt, F. Abild-Pedersen, T. Bligaard, R. Z. Sorensen, C. H. Christensen, and J. K. Nrskov, Science 320, 1320 (2008). 10.1126/science.1156660 (Pubitemid 351929464)
-
(2008)
Science
, vol.320
, Issue.5881
, pp. 1320-1322
-
-
Studt, F.1
Abild-Pedersen, F.2
Bligaard, T.3
Sorensen, R.Z.4
Christensen, C.H.5
Norskov, J.K.6
-
16
-
-
44349105844
-
Modulating the reactivity of Ni-containing Pt(111)-skin catalysts by density functional theory calculations
-
DOI 10.1063/1.2920174
-
H.-Y. Su, X.-H. Bao, and W.-X. Li, J. Chem. Phys. 128, 194707 (2008). 10.1063/1.2920174 (Pubitemid 351733994)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.19
, pp. 194707
-
-
Su, H.-Y.1
Bao, X.-H.2
Li, W.-X.3
-
17
-
-
33846596556
-
3Ni(111) via increased surface site availability
-
DOI 10.1126/science.1135941
-
V. R. Stamenkovi, B. Fowler, B. S. Mun, G. Wang, P. N. Ross, C. A. Lucas, and N. M. Markovi, Science 315, 493 (2007). 10.1126/science.1135941 (Pubitemid 46175748)
-
(2007)
Science
, vol.315
, Issue.5811
, 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
-
18
-
-
77956852960
-
-
10.1002/cphc.201000190
-
R. Subbaraman, D. Strmcnik, A. P. Paulikas, V. R. Stamenkovi, and N. M. Markovi, Chem. Phys. Chem. 11, 2825 (2010). 10.1002/cphc.201000190
-
(2010)
Chem. Phys. Chem.
, vol.11
, pp. 2825
-
-
Subbaraman, R.1
Strmcnik, D.2
Paulikas, A.P.3
Stamenkovi, V.R.4
Markovi, N.M.5
-
19
-
-
77954257407
-
-
10.1021/jp1024735
-
T. H. Yu, Y. Sha, B. V. Merinov, and W. A. Goddard III, J. Phys. Chem. C 114, 11527 (2010). 10.1021/jp1024735
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 11527
-
-
Yu, T.H.1
Sha, Y.2
Merinov, B.V.3
Iii, A.G.W.4
-
21
-
-
42949149089
-
Thermodynamics and kinetics of oxygen-induced segregation of 3d metals in Pt-3d-Pt (111) and Pt-3d-Pt (100) bimetallic structures
-
DOI 10.1063/1.2900962
-
C. A. Menning and J. G. Chen, J. Chem. Phys. 128, 164703 (2008). 10.1063/1.2900962 (Pubitemid 351620550)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.16
, pp. 164703
-
-
Menning, C.A.1
Chen, J.G.2
-
22
-
-
33746191897
-
Changing the activity of electrocatalysts for oxygen reduction by tuning the surface electronic structure
-
DOI 10.1002/anie.200504386
-
V. Stamenkovi, B. S. Mun, K. J. J. Mayrhofer, P. N. Ross, N. M. Markovi, J. Rossmeisl, J. Greeley, and J. K. Nrskov, Angew. Chem. 45, 2897 (2006). 10.1002/anie.200504386 (Pubitemid 44099059)
-
(2006)
Angewandte Chemie - International Edition
, vol.45
, Issue.18
, pp. 2897-2901
-
-
Stamenkovic, V.1
Mun, B.S.2
Mayrhofer, K.J.J.3
Ross, P.N.4
Markovic, N.M.5
Rossmeisl, J.6
Greeley, J.7
Norskov, J.K.8
-
23
-
-
34547277492
-
Pattern formation during the oxidation of CO on Pt{100}: A mesoscopic model
-
DOI 10.1103/PhysRevLett.98.226102
-
R. B. Hoyle, A. T. Anghel, M. R. E. Proctor, and D. A. King, Phys. Rev. Lett. 98, 226102 (2007). 10.1103/PhysRevLett.98.226102 (Pubitemid 47139725)
-
(2007)
Physical Review Letters
, vol.98
, Issue.22
, pp. 226102
-
-
Hoyle, R.B.1
Anghel, A.T.2
Proctor, M.R.E.3
King, D.A.4
-
25
-
-
19944427546
-
CO desorption rate dependence on CO partial pressure over platinum fuel cell catalysts
-
DOI 10.1002/fuce.200400046
-
J. C. Davies, R. M. Nielsen, L. B. Thomsen, I. Chorkendorff,. Logadttir, Z. Lodziana, J. K. Nrskov, W. X. Li, B. Hammer, S. R. Longwitz, J. Schnadt, E. K. Vestergaard, R. T. Vang, and F. Besenbacher, Fuel Cells 4, 309 (2004). 10.1002/fuce.200400046 (Pubitemid 40099552)
-
(2004)
Fuel Cells
, vol.4
, Issue.4
, pp. 309-319
-
-
Davies, J.C.1
Nielsen, R.M.2
Thomsen, L.B.3
Chorkendorff, I.4
Logadottir, A.5
Lodziana, Z.6
Norskov, J.K.7
Li, W.X.8
Hammer, B.9
Longwitz, S.R.10
Schnadt, J.11
Vestergaard, E.K.12
Vang, R.T.13
Besenbacher, F.14
-
26
-
-
67349286401
-
-
10.1166/jnn.2009.NS92
-
A. Politano, R. G. Agostino, E. Colavita, V. Formoso, and G. Chiarello, J. Nanosci. Nanotechnol. 9, 3932 (2009). 10.1166/jnn.2009.NS92
-
(2009)
J. Nanosci. Nanotechnol.
, vol.9
, pp. 3932
-
-
Politano, A.1
Agostino, R.G.2
Colavita, E.3
Formoso, V.4
Chiarello, G.5
-
27
-
-
0000745654
-
-
10.1063/1.441551
-
N. R. Avery, J. Chem. Phys. 74, 4202 (1981). 10.1063/1.441551
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 4202
-
-
Avery, N.R.1
-
29
-
-
0001375719
-
-
10.1103/PhysRevB.49.14619
-
S. Ohnishi and N. Watari, Phys. Rev. B 49, 14619 (1994). 10.1103/PhysRevB.49.14619
-
(1994)
Phys. Rev. B
, vol.49
, pp. 14619
-
-
Ohnishi, S.1
Watari, N.2
-
30
-
-
6144292255
-
-
10.1103/PhysRevLett.77.3858
-
X. Su, P. S. Cremer, Y. R. Shen, and G. A. Somorjai, Phys. Rev. Lett. 77, 3858 (1996). 10.1103/PhysRevLett.77.3858
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3858
-
-
Su, X.1
Cremer, P.S.2
Shen, Y.R.3
Somorjai, G.A.4
-
32
-
-
0030192362
-
-
10.1016/0039-6028(96)00638-3
-
C. Klnker, M. Balden, S. Lehwald, and W. Daum, Surf. Sci. 360, 104 (1996). 10.1016/0039-6028(96)00638-3
-
(1996)
Surf. Sci.
, vol.360
, pp. 104
-
-
Klnker, C.1
Balden, M.2
Lehwald, S.3
Daum, W.4
-
36
-
-
33745954143
-
Effect of surface composition on electronic structure, stability, and electrocatalytic properties of Pt-transition metal alloys: Pt-skin versus Pt-skeleton surfaces
-
DOI 10.1021/ja0600476
-
V. R. Stamenkovi, B. S. Mun, K. J. J. Mayrhofer, P. N. Ross, and N. M. Markovi, J. Am. Chem. Soc. 128, 8813 (2006). 10.1021/ja0600476 (Pubitemid 44061538)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.27
, pp. 8813-8819
-
-
Stamenkovic, V.R.1
Mun, B.S.2
Mayrhofer, K.J.J.3
Ross, P.N.4
Markovic, N.M.5
-
37
-
-
39649095402
-
3Ni(111) surfaces: A first principles study
-
DOI 10.1021/jp077104h
-
D. Pillay and M. D. Johannes, J. Phys. Chem. C 112, 1544 (2008). 10.1021/jp077104h (Pubitemid 351288266)
-
(2008)
Journal of Physical Chemistry C
, vol.112
, Issue.5
, pp. 1544-1551
-
-
Pillay, D.1
Johannes, M.D.2
-
38
-
-
0141525224
-
-
10.1016/S0022-0728(03)00177-3
-
V. Stamenkovi, T. J. Schmidt, P. N. Ross, and N. M. Markovi, J. Electroanal. Chem. 554-555, 191 (2003). 10.1016/S0022-0728(03)00177-3
-
(2003)
J. Electroanal. Chem.
, vol.554-555
, pp. 191
-
-
Stamenkovi, V.1
Schmidt, T.J.2
Ross, P.N.3
Markovi, N.M.4
-
39
-
-
49849083955
-
-
10.1016/j.susc.2008.06.035
-
D. Pillay and M. D. Johannes, Surf. Sci. 602, 2752 (2008). 10.1016/j.susc.2008.06.035
-
(2008)
Surf. Sci.
, vol.602
, pp. 2752
-
-
Pillay, D.1
Johannes, M.D.2
-
40
-
-
55149088833
-
-
10.1007/s10562-008-9643-x
-
Y. N. Sun, Z. H. Qin, M. Lewandowski, S. Kaya, S. Shaikhutdinov, and H. J. Freund, Catal. Lett. 126, 31 (2008). 10.1007/s10562-008-9643-x
-
(2008)
Catal. Lett.
, vol.126
, pp. 31
-
-
Sun, Y.N.1
Qin, Z.H.2
Lewandowski, M.3
Kaya, S.4
Shaikhutdinov, S.5
Freund, H.J.6
-
41
-
-
0036499428
-
-
10.1016/S0079-6816(01)00056-9
-
W. Weiss and W. Ranke, Prog. Surf. Sci. 70, 1 (2002). 10.1016/S0079-6816(01)00056-9
-
(2002)
Prog. Surf. Sci.
, vol.70
, pp. 1
-
-
Weiss, W.1
Ranke, W.2
-
43
-
-
0037018231
-
2(110): Bridging the pressure gap
-
DOI 10.1021/jp014109k
-
J. Wang, C. Y. Fan, K. Jacobi, and G. Ertl, J. Phys. Chem. B 106, 3422 (2002). 10.1021/jp014109k (Pubitemid 35290240)
-
(2002)
Journal of Physical Chemistry B
, vol.106
, Issue.13
, pp. 3422-3427
-
-
Wang, J.1
Fan, C.Y.2
Jacobi, K.3
Ertl, G.4
-
45
-
-
78650126934
-
-
10.1021/nn101241c
-
J. Knudsen, L. R. Merte, G. Peng, R. T. Vang, A. Resta, E. Lgsgaard, J. N. Andersen, M. Mavrikakis, and F. Besenbacher, ACS Nano 4, 4380 (2010). 10.1021/nn101241c
-
(2010)
ACS Nano
, vol.4
, pp. 4380
-
-
Knudsen, J.1
Merte, L.R.2
Peng, G.3
Vang, R.T.4
Resta, A.5
Lgsgaard, E.6
Andersen, J.N.7
Mavrikakis, M.8
Besenbacher, F.9
-
48
-
-
33748281992
-
Experimental and theoretical investigation of the stability of Pt-3d-Pt(111) bimetallic surfaces under oxygen environment
-
DOI 10.1021/jp061697z
-
C. A. Menning, H. H. Hwu, and J. G. Chen, J. Phys. Chem. B 110, 15471 (2006). 10.1021/jp061697z (Pubitemid 44318517)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.31
, pp. 15471-15477
-
-
Menning, C.A.1
Hwu, H.H.2
Chen, J.G.3
-
50
-
-
39749124451
-
Evidences of alkali-induced softening of the oxygen-substrate bond
-
DOI 10.1063/1.2835597
-
A. Politano, V. Formoso, R. G. Agostino, E. Colavita, and G. Chiarello, J. Chem. Phys. 128, 074703 (2008). 10.1063/1.2835597 (Pubitemid 351304961)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.7
, pp. 074703
-
-
Politano, A.1
Formoso, V.2
Agostino, R.G.3
Colavita, E.4
Chiarello, G.5
-
51
-
-
0035837984
-
-
10.1021/jp003213j
-
Y. D. Kim, A. P. Seitsonen, S. Wendt, J. Wang, C. Fan, K. Jacobi, H. Over, and G. Ertl, J. Phys. Chem. B 105, 3752 (2001). 10.1021/jp003213j
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 3752
-
-
Kim, Y.D.1
Seitsonen, A.P.2
Wendt, S.3
Wang, J.4
Fan, C.5
Jacobi, K.6
Over, H.7
Ertl, G.8
-
52
-
-
0041034389
-
-
10.1209/epl/i2001-00187-x
-
G. Benedek, F. Buatier de Mongeot, U. Valbusa, and M. Rocca, Europhys. Lett. 53, 544 (2001). 10.1209/epl/i2001-00187-x
-
(2001)
Europhys. Lett.
, vol.53
, pp. 544
-
-
Benedek, G.1
Buatier De Mongeot, F.2
Valbusa, U.3
Rocca, M.4
-
53
-
-
0029538875
-
-
10.1016/0039-6028(95)00852-7
-
P. T. Sprunger, Y. Okawa, F. Besenbacher, I. Stensgaard, and K. Tanaka, Surf. Sci. 344, 98 (1995). 10.1016/0039-6028(95)00852-7
-
(1995)
Surf. Sci.
, vol.344
, pp. 98
-
-
Sprunger, P.T.1
Okawa, Y.2
Besenbacher, F.3
Stensgaard, I.4
Tanaka, K.5
-
55
-
-
0038358108
-
-
10.1016/S0039-6028(03)00573-9
-
G. Chiarello, A. Cupolillo, C. Giallombardo, R. G. Agostino, V. Formoso, D. Pacilé;, L. Papagno, and E. Colavita, Surf. Sci. 536, 33 (2003). 10.1016/S0039-6028(03)00573-9
-
(2003)
Surf. Sci.
, vol.536
, pp. 33
-
-
Chiarello, G.1
Cupolillo, A.2
Giallombardo, C.3
Agostino, R.G.4
Formoso, V.5
Pacilé, D.6
Papagno, L.7
Colavita, E.8
-
57
-
-
45249086408
-
-
10.1002/cphc.200800073
-
A. Politano, R. G. Agostino, V. Formoso, and G. Chiarello, ChemPhysChem 9, 1189 (2008). 10.1002/cphc.200800073
-
(2008)
ChemPhysChem
, vol.9
, pp. 1189
-
-
Politano, A.1
Agostino, R.G.2
Formoso, V.3
Chiarello, G.4
|