-
1
-
-
0142055513
-
-
10.1016/0167-5729(87)90001-X
-
P. A. Thiel and T. E. Madey, Surf. Sci. Rep. 7, 211 (1987). 10.1016/0167-5729(87)90001-X
-
(1987)
Surf. Sci. Rep.
, vol.7
, pp. 211
-
-
Thiel, P.A.1
Madey, T.E.2
-
2
-
-
0036571188
-
-
10.1016/S0167-5729(01)00020-6
-
M. A. Henderson, Surf. Sci. Rep. 46, 1 (2002). 10.1016/S0167-5729(01) 00020-6
-
(2002)
Surf. Sci. Rep.
, vol.46
, pp. 1
-
-
Henderson, M.A.1
-
3
-
-
69549088663
-
-
10.1016/j.surfre2009.07.001
-
A. Hodgson and S. Haq, Surf. Sci. Rep. 64, 381 (2009). 10.1016/j.surfrep.2009.07.001
-
(2009)
Surf. Sci. Rep.
, vol.64
, pp. 381
-
-
Hodgson, A.1
Haq, S.2
-
4
-
-
75449098287
-
-
10.1021/jp910029z
-
C. Meier, M. Roos, D. Künzel, A. Breitruck, H. E. Hoster, K. Landfester, A. Gross, R. J. Behm, and U. Ziener, J. Phys. Chem. C 114, 1268 (2010). 10.1021/jp910029z
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 1268
-
-
Meier, C.1
Roos, M.2
Künzel, D.3
Breitruck, A.4
Hoster, H.E.5
Landfester, K.6
Gross, A.7
Behm, R.J.8
Ziener, U.9
-
5
-
-
33847673546
-
-
10.1126/science.1136371
-
R. Bukowski, K. Szalewicz, G. C. Groenenboom, and A. van der Avoird, Science 315, 1249 (2007). 10.1126/science.1136371
-
(2007)
Science
, vol.315
, pp. 1249
-
-
Bukowski, R.1
Szalewicz, K.2
Groenenboom, G.C.3
Van Der Avoird, A.4
-
7
-
-
0000625779
-
-
10.1021/j100353a043
-
E. Spohr, J. Phys. Chem. 93, 6171 (1989). 10.1021/j100353a043
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 6171
-
-
Spohr, E.1
-
9
-
-
0031571921
-
-
10.1103/PhysRevLett.79.2089
-
M. Stadele, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. Lett. 79, 2089 (1997). 10.1103/PhysRevLett.79.2089
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 2089
-
-
Stadele, M.1
Majewski, J.A.2
Vogl, P.3
Görling, A.4
-
11
-
-
84902183463
-
-
10.1021/ct500129p
-
M. A. Morales, J. R. Gergely, J. McMinis, J. M. McMahon, J. Kim, and D. M. Ceperley, J. Chem. Theory Comput. 10, 2355 (2014). 10.1021/ct500129p
-
(2014)
J. Chem. Theory Comput.
, vol.10
, pp. 2355
-
-
Morales, M.A.1
Gergely, J.R.2
McMinis, J.3
McMahon, J.M.4
Kim, J.5
Ceperley, D.M.6
-
12
-
-
72049117106
-
-
10.1088/1367-2630/11/12/125003
-
S. Schnur and A. Groß, New J. Phys. 11, 125003 (2009). 10.1088/1367-2630/11/12/125003
-
(2009)
New J. Phys.
, vol.11
, pp. 125003
-
-
Schnur, S.1
Groß, A.2
-
13
-
-
79955439858
-
-
10.1016/j.cattod.2010.11.071
-
S. Schnur and A. Groß, Catal. Today 165, 129 (2011). 10.1016/j.cattod.2010.11.071
-
(2011)
Catal. Today
, vol.165
, pp. 129
-
-
Schnur, S.1
Groß, A.2
-
14
-
-
84859159874
-
-
10.1016/j.susc.2011.12.015
-
X. Lin and A. Groß, Surf. Sci. 606, 886 (2012). 10.1016/j.susc.2011.12.015
-
(2012)
Surf. Sci.
, vol.606
, pp. 886
-
-
Lin, X.1
Groß, A.2
-
15
-
-
84870804247
-
-
10.1016/j.cattod.2012.06.001
-
T. Roman and A. Groß, Catal. Today 202, 183 (2013). 10.1016/j.cattod.2012.06.001
-
(2013)
Catal. Today
, vol.202
, pp. 183
-
-
Roman, T.1
Groß, A.2
-
16
-
-
84904806960
-
-
10.1149/2.003408jes
-
A. Groß, F. Gossenberger, X. Lin, M. Naderian, S. Sakong, and T. Roman, J. Electrochem. Soc. 161, E3015 (2014). 10.1149/2.003408jes
-
(2014)
J. Electrochem. Soc.
, vol.161
-
-
Groß, A.1
Gossenberger, F.2
Lin, X.3
Naderian, M.4
Sakong, S.5
Roman, T.6
-
19
-
-
20444486189
-
-
10.1016/j.cplett.2005.04.103
-
A. Roudgar and A. Groß, Chem. Phys. Lett. 409, 157 (2005). 10.1016/j.cplett.2005.04.103
-
(2005)
Chem. Phys. Lett.
, vol.409
, pp. 157
-
-
Roudgar, A.1
Groß, A.2
-
20
-
-
34250703763
-
-
10.1039/b700099e
-
E. Skúlason, G. S. Karlberg, J. Rossmeisl, T. Bligaard, J. Greeley, H. Jónsson, and J. K. Nørskov, Phys. Chem. Chem. Phys. 9, 3241 (2007). 10.1039/b700099e
-
(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
-
24
-
-
22944439420
-
-
10.1063/1.1828433
-
J. VandeVondele, F. Mohamed, M. Krack, J. Hutter, M. Sprik, and M. Parrinello, J. Chem. Phys. 122, 014515 (2005). 10.1063/1.1828433
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 014515
-
-
Vandevondele, J.1
Mohamed, F.2
Krack, M.3
Hutter, J.4
Sprik, M.5
Parrinello, M.6
-
29
-
-
82555186139
-
-
10.1021/jp2040345
-
A. Møgelhøj, A. K. Kelkkanen, K. T. Wikfeldt, J. Schiøtz, J. J. Mortensen, L. G. M. Pettersson, B. I. Lundqvist, K. W. Jacobsen, A. Nilsson, and J. K. Nørskov, J. Phys. Chem. B 115, 14149 (2011). 10.1021/jp2040345
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 14149
-
-
Møgelhøj, A.1
Kelkkanen, A.K.2
Wikfeldt, K.T.3
Schiøtz, J.4
Mortensen, J.J.5
Pettersson, L.G.M.6
Lundqvist, B.I.7
Jacobsen, K.W.8
Nilsson, A.9
Nørskov, J.K.10
-
30
-
-
80054005282
-
-
10.1021/ct200329e
-
C. Zhang, J. Wu, G. Galli, and F. Gygi, J. Chem. Theory Comput. 7, 3054 (2011). 10.1021/ct200329e
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 3054
-
-
Zhang, C.1
Wu, J.2
Galli, G.3
Gygi, F.4
-
31
-
-
78751546212
-
-
10.1063/1.3521268
-
J. Wang, G. Román-Pérez, J. M. Soler, E. Artacho, and M.-V. Fernández-Serra, J. Chem. Phys. 134, 024516 (2011). 10.1063/1.3521268
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 024516
-
-
Wang, J.1
Román-Pérez, G.2
Soler, J.M.3
Artacho, E.4
Fernández-Serra, M.-V.5
-
32
-
-
62149089166
-
-
10.1021/jp806376e
-
I.-C. Lin, A. P. Seitsonen, M. D. Coutinho-Neto, I. Tavernelli, and U. Rothlisberger, J. Phys. Chem. B 113, 1127 (2009). 10.1021/jp806376e
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 1127
-
-
Lin, I.-C.1
Seitsonen, A.P.2
Coutinho-Neto, M.D.3
Tavernelli, I.4
Rothlisberger, U.5
-
33
-
-
84867345616
-
-
10.1021/ct3001848
-
I.-C. Lin, A. P. Seitsonen, I. Tavernelli, and U. Rothlisberger, J. Chem. Theory Comput. 8, 3902 (2012). 10.1021/ct3001848
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 3902
-
-
Lin, I.-C.1
Seitsonen, A.P.2
Tavernelli, I.3
Rothlisberger, U.4
-
34
-
-
29744466475
-
-
10.1103/PhysRevB.72.113405
-
P. J. Feibelman, Phys. Rev. B 72, 113405 (2005). 10.1103/PhysRevB.72. 113405
-
(2005)
Phys. Rev. B
, vol.72
, pp. 113405
-
-
Feibelman, P.J.1
-
36
-
-
78651331428
-
-
10.1103/PhysRevLett.106.026101
-
J. Carrasco, B. Santra, J. Klimeč, and A. Michaelides, Phys. Rev. Lett. 106, 026101 (2011). 10.1103/PhysRevLett.106.026101
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 026101
-
-
Carrasco, J.1
Santra, B.2
Klimeč, J.3
Michaelides, A.4
-
41
-
-
74549145149
-
-
10.1103/PhysRevLett.104.036102
-
G. Mercurio et al., Phys. Rev. Lett. 104, 036102 (2010). 10.1103/PhysRevLett.104.036102
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 036102
-
-
Mercurio, G.1
-
42
-
-
84863953575
-
-
10.1039/c2cp40800g
-
T. Waldmann, C. Nenon, K. Tonigold, H. E. Hoster, A. Groß, and R. J. Behm, Phys. Chem. Chem. Phys. 14, 10726 (2012). 10.1039/c2cp40800g
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 10726
-
-
Waldmann, T.1
Nenon, C.2
Tonigold, K.3
Hoster, H.E.4
Groß, A.5
Behm, R.J.6
-
43
-
-
84884941688
-
-
10.1021/nn4026417
-
F. Buchner, K. Forster-Tonigold, B. Uhl, D. Alwast, N. Wagner, H. Farkhondeh, A. Groß, and R. J. Behm, ACS Nano 7, 7773 (2013). 10.1021/nn4026417
-
(2013)
ACS Nano
, vol.7
, pp. 7773
-
-
Buchner, F.1
Forster-Tonigold, K.2
Uhl, B.3
Alwast, D.4
Wagner, N.5
Farkhondeh, H.6
Groß, A.7
Behm, R.J.8
-
44
-
-
77951680464
-
-
10.1063/1.3382344
-
S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010). 10.1063/1.3382344
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 154104
-
-
Grimme, S.1
Antony, J.2
Ehrlich, S.3
Krieg, H.4
-
47
-
-
85029400214
-
-
10.1103/PhysRevLett.80.890
-
Y. Zhang and W. Yang, Phys. Rev. Lett. 80, 890 (1998). 10.1103/PhysRevLett.80.890
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 890
-
-
Zhang, Y.1
Yang, W.2
-
48
-
-
0036683369
-
-
10.1016/S0039-6028(02)01908-8
-
A. Šljivančanin and B. Hammer, Surf. Sci. 515, 235 (2002). 10.1016/S0039-6028(02)01908-8
-
(2002)
Surf. Sci.
, vol.515
, pp. 235
-
-
Šljivančanin, A.1
Hammer, B.2
-
51
-
-
25744460922
-
-
10.1103/PhysRevB.50.17953
-
P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
52
-
-
0011236321
-
-
10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
54
-
-
33746614482
-
-
10.1063/1.456153
-
T. H. Dunning Jr., J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, Jr.T.H.1
-
55
-
-
34547458530
-
-
10.1088/0953-8984/19/33/335206
-
A. K. Soper, J. Phys.: Condens. Matter 19, 335206 (2007). 10.1088/0953-8984/19/33/335206
-
(2007)
J. Phys.: Condens. Matter
, vol.19
, pp. 335206
-
-
Soper, A.K.1
-
60
-
-
58149242611
-
-
10.1021/ct800121e
-
F. Sterpone, L. Spanu, L. Ferraro, S. Sorella, and L. Guidoni, J. Chem. Theory Comput. 4, 1428 (2008). 10.1021/ct800121e
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 1428
-
-
Sterpone, F.1
Spanu, L.2
Ferraro, L.3
Sorella, S.4
Guidoni, L.5
-
61
-
-
0011784684
-
-
10.1103/PhysRevA.33.2679
-
G. C. Lie and E. Clementi, Phys. Rev. A 33, 2679 (1986). 10.1103/PhysRevA.33.2679
-
(1986)
Phys. Rev. A
, vol.33
, pp. 2679
-
-
Lie, G.C.1
Clementi, E.2
-
62
-
-
46949097364
-
-
10.1103/PhysRevLett.101.017801
-
J. A. Morrone and R. Car, Phys. Rev. Lett. 101, 017801 (2008). 10.1103/PhysRevLett.101.017801
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 017801
-
-
Morrone, J.A.1
Car, R.2
-
63
-
-
0346421113
-
-
10.1103/PhysRevLett.91.215503
-
B. Chen, I. Ivanov, M. L. Klein, and M. Parrinello, Phys. Rev. Lett. 91, 215503 (2003). 10.1103/PhysRevLett.91.215503
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 215503
-
-
Chen, B.1
Ivanov, I.2
Klein, M.L.3
Parrinello, M.4
-
64
-
-
84894134561
-
-
10.1021/ct4010504
-
S. Fritsch, R. Potestio, D. Donadio, and K. Kremer, J. Chem. Theory Comput. 10, 816 (2014). 10.1021/ct4010504
-
(2014)
J. Chem. Theory Comput.
, vol.10
, pp. 816
-
-
Fritsch, S.1
Potestio, R.2
Donadio, D.3
Kremer, K.4
-
65
-
-
33748969865
-
-
10.1002/cphc.200600128
-
D. Marx, ChemPhysChem 7, 1848 (2006). 10.1002/cphc.200600128
-
(2006)
ChemPhysChem
, vol.7
, pp. 1848
-
-
Marx, D.1
|