-
3
-
-
84904806960
-
-
A. Groß, F. Gossenberger, X. Lin, M. Naderian, S. Sakong, and T. Roman, J. Electrochem. Soc. 161, E3015 (2014).
-
(2014)
J. Electrochem. Soc.
, vol.161
, pp. E3015
-
-
Groß, A.1
Gossenberger, F.2
Lin, X.3
Naderian, M.4
Sakong, S.5
Roman, T.6
-
4
-
-
84911867143
-
-
N. G. Hörmann, M. Jäckle, F. Gossenberger, T. Roman, K. Forster-Tonigold, M. Naderian, S. Sakong, and A. Groß, J. Power Sources 275, 531 (2015).
-
(2015)
J. Power Sources
, vol.275
, pp. 531
-
-
Hörmann, N.G.1
Jäckle, M.2
Gossenberger, F.3
Roman, T.4
Forster-Tonigold, K.5
Naderian, M.6
Sakong, S.7
Groß, A.8
-
5
-
-
65949117593
-
-
J. K. Norskov, T. Bligaard, J. Rossmeisl, and C. H. Christensen, Nat. Chem. 1, 37 (2009).
-
(2009)
Nat. Chem.
, vol.1
, pp. 37
-
-
Norskov, J.K.1
Bligaard, T.2
Rossmeisl, J.3
Christensen, C.H.4
-
9
-
-
84884941688
-
-
F. Buchner, K. Forster-Tonigold, B. Uhl, D. Alwast, N. Wagner, H. Farkhon-deh, A. Groß, and R. J. Behm, ACS Nano 7, 7773 (2013).
-
(2013)
ACS Nano
, vol.7
, pp. 7773
-
-
Buchner, F.1
Forster-Tonigold, K.2
Uhl, B.3
Alwast, D.4
Wagner, N.5
Farkhon-Deh, H.6
Groß, A.7
Behm, R.J.8
-
12
-
-
9744261716
-
-
J. K. Nørskov, J. Rossmeisl, A. Logadottir, L. Lindqvist, J. R. Kitchin, T. Bligaard, and H. Jónsson, J. Phys. Chem. B 108, 17886 (2004).
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 17886
-
-
Nørskov, J.K.1
Rossmeisl, J.2
Logadottir, A.3
Lindqvist, L.4
Kitchin, J.R.5
Bligaard, T.6
Jónsson, H.7
-
14
-
-
34250703763
-
-
E. Skulason, G. S. Karlberg, J. Rossmeisl, T. Bligaard, J. Greeley, H. Jons-son, and J. K. Norskov, Phys. Chem. Chem. Phys. 9, 3241 (2007).
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 3241
-
-
Skulason, E.1
Karlberg, G.S.2
Rossmeisl, J.3
Bligaard, T.4
Greeley, J.5
Jons-Son, H.6
Norskov, J.K.7
-
15
-
-
55649091867
-
-
J. Rossmeisl, E. Skúlason, M. E. Björketun, V. Tripkovic, and J. K. Nørskov, Chem. Phys. Lett. 466, 68 (2008).
-
(2008)
Chem. Phys. Lett.
, vol.466
, pp. 68
-
-
Rossmeisl, J.1
Skúlason, E.2
Björketun, M.E.3
Tripkovic, V.4
Nørskov, J.K.5
-
16
-
-
80053603980
-
-
V. Tripkovic, M. E. Björketun, E. Skúlason, and J. Rossmeisl, Phys. Rev. B 84, 115452 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 115452
-
-
Tripkovic, V.1
Björketun, M.E.2
Skúlason, E.3
Rossmeisl, J.4
-
20
-
-
34347335638
-
-
S. A. Petrosyan, J.-F. Briere, D. Roundy, and T. A. Arias, Phys. Rev. B 75, 205105 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 205105
-
-
Petrosyan, S.A.1
Briere, J.-F.2
Roundy, D.3
Arias, T.A.4
-
22
-
-
84887063670
-
-
D. Gunceler, K. Letchworth-Weaver, R. Sundararaman, K. A. Schwarz, and T. A. Arias, Modell. Simul. Mater. Sci. Eng. 21, 074005 (2013).
-
(2013)
Modell. Simul. Mater. Sci. Eng.
, vol.21
, pp. 074005
-
-
Gunceler, D.1
Letchworth-Weaver, K.2
Sundararaman, R.3
Schwarz, K.A.4
Arias, T.A.5
-
23
-
-
84879026231
-
-
M. Fishman, H. L. Zhuang, K. Mathew, W. Dirschka, and R. G. Hennig, Phys. Rev. B 87, 245402 (2013).
-
(2013)
Phys. Rev. B
, vol.87
, pp. 245402
-
-
Fishman, M.1
Zhuang, H.L.2
Mathew, K.3
Dirschka, W.4
Hennig, R.G.5
-
24
-
-
84896795660
-
-
K. Mathew, R. Sundararaman, K. Letchworth-Weaver, T. A. Arias, and R. G. Hennig, J. Chem. Phys. 140, 084106 (2014).
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 084106
-
-
Mathew, K.1
Sundararaman, R.2
Letchworth-Weaver, K.3
Arias, T.A.4
Hennig, R.G.5
-
25
-
-
77951680464
-
-
S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010).
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 154104
-
-
Grimme, S.1
Antony, J.2
Ehrlich, S.3
Krieg, H.4
-
27
-
-
0037203453
-
-
H. Ogasawara, B. Brena, D. Nordlund, M. Nyberg, A. Pelmenschikov, L. G. M. Pettersson, and A. Nilsson, Phys. Rev. Lett. 89, 276102 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 276102
-
-
Ogasawara, H.1
Brena, B.2
Nordlund, D.3
Nyberg, M.4
Pelmenschikov, A.5
Pettersson, L.G.M.6
Nilsson, A.7
-
36
-
-
3242718844
-
-
M. Dion, H.Rydberg, E. Schröder, D.C.Langreth, and B.I.Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 246401
-
-
Dion, M.1
Rydberg, H.2
Schröder, E.3
Langreth, D.C.4
Lundqvist, B.I.5
-
37
-
-
84863308434
-
-
J. Wellendorf, K.T.Lundgaard, A. Møgelhøj, V. Petzold, D. D. Landis, J. K. Nørskov, T. Bligaard, and K. W. Jacobsen, Phys. Rev. B 85, 235149 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 235149
-
-
Wellendorf, J.1
Lundgaard, K.T.2
Møgelhøj, A.3
Petzold, V.4
Landis, D.D.5
Nørskov, J.K.6
Bligaard, T.7
Jacobsen, K.W.8
-
38
-
-
41449091130
-
-
W. A. Donald, R. D. Leib, J. T. O'Brien, M. F. Bush, and E. R. Williams, J. Am. Chem. Soc. 130, 3371 (2008).
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 3371
-
-
Donald, W.A.1
Leib, R.D.2
O'Brien, J.T.3
Bush, M.F.4
Williams, E.R.5
-
45
-
-
85006139439
-
-
NIST Computational Chemistry Comparison and Benchmark Database NIST Standard Reference Database Number 101 Release 16a, August
-
NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101 Release 16a, August 2013, editor: Russell D. Johnson III, http://cccbdb.nist.gov/.
-
(2013)
-
-
Johnson, R.D.1
-
48
-
-
0000626886
-
NIST-JANAF thermochemical tables, fourth edition
-
M. W. Chase, Jr., "NIST-JANAF thermochemical tables, fourth edition, " J. Phys. Chem. Ref. Data, Monogr. 9, 1310 (1988).
-
(1988)
J. Phys. Chem. Ref. Data, Monogr.
, vol.9
, pp. 1310
-
-
Chase, M.W.1
-
49
-
-
85006169573
-
-
See supplementary material at for the atomization energies and DFT total energies of molecules involved in the electrochemical half cells
-
See supplementary material at http://dx.doi.org/10.1063/1.4922615 for the atomization energies and DFT total energies of molecules involved in the electrochemical half cells.
-
-
-
-
54
-
-
33744470857
-
-
P. Jurecka, J. Sponer, J. Cerny, and P. Hobza, Phys. Chem. Chem. Phys. 8, 1985 (2006).
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 1985
-
-
Jurecka, P.1
Sponer, J.2
Cerny, J.3
Hobza, P.4
-
56
-
-
22944439420
-
-
J. Vande Vondele, F. Mohamed, M. Krack, J. Hutter, M. Sprik, and M. Parrinello, J. Chem. Phys. 122, 014515 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 014515
-
-
Vande Vondele, J.1
Mohamed, F.2
Krack, M.3
Hutter, J.4
Sprik, M.5
Parrinello, M.6
-
62
-
-
84912551852
-
-
K. Motobayashi, L. Árnadóttir, C. Matsumoto, E. M. Stuve, H. Jónsson, Y. Kim, and M. Kawai, ACS Nano 8, 11583 (2014).
-
(2014)
ACS Nano
, vol.8
, pp. 11583
-
-
Motobayashi, K.1
Árnadóttir, L.2
Matsumoto, C.3
Stuve, E.M.4
Jónsson, H.5
Kim, Y.6
Kawai, M.7
-
65
-
-
79955928101
-
-
W. Lew, M. C. Crowe, E. Karp, and C. T. Campbell, J. Phys. Chem. C 115, 9164 (2011).
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 9164
-
-
Lew, W.1
Crowe, M.C.2
Karp, E.3
Campbell, C.T.4
-
66
-
-
0036536720
-
-
S. C. Badescu, P. Salo, T. Ala-Nissila, S. C. Ying, K. Jacobi, Y. Wang, K. Bedürftig, and G. Ertl, Phys. Rev. Lett. 88, 136101 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 136101
-
-
Badescu, S.C.1
Salo, P.2
Ala-Nissila, T.3
Ying, S.C.4
Jacobi, K.5
Wang, Y.6
Bedürftig, K.7
Ertl, G.8
-
67
-
-
84857189664
-
-
P. Ferrin, S. Kandoi, A. U. Nilekar, and M. Mavrikakis, Surf. Sci. 606, 679 (2012).
-
(2012)
Surf. Sci.
, vol.606
, pp. 679
-
-
Ferrin, P.1
Kandoi, S.2
Nilekar, A.U.3
Mavrikakis, M.4
-
68
-
-
84894078620
-
-
F. Gossenberger, T. Roman, K. Forster-Tonigold, and A. Groß, Beilstein J. Nanotechnol. 5, 152 (2014).
-
(2014)
Beilstein J. Nanotechnol.
, vol.5
, pp. 152
-
-
Gossenberger, F.1
Roman, T.2
Forster-Tonigold, K.3
Groß, A.4
-
69
-
-
78649988284
-
-
B. Genorio, D. Strmcnik, R. Subbaraman, D. Tripkovic, G. Karapetrov, V. R. Stamenkovic, S. Pejovnik, and N. M. Marković, Nat. Mater. 9, 998 (2010).
-
(2010)
Nat. Mater.
, vol.9
, pp. 998
-
-
Genorio, B.1
Strmcnik, D.2
Subbaraman, R.3
Tripkovic, D.4
Karapetrov, G.5
Stamenkovic, V.R.6
Pejovnik, S.7
Marković, N.M.8
-
71
-
-
84878408124
-
-
P. Quaino, N. Luque, G. Soldano, R. Nazmutdinov, E. Santos, T. Roman, A. Lundin, A. Groß, and W. Schmickler, Electrochim. Acta 105, 248 (2013).
-
(2013)
Electrochim. Acta
, vol.105
, pp. 248
-
-
Quaino, P.1
Luque, N.2
Soldano, G.3
Nazmutdinov, R.4
Santos, E.5
Roman, T.6
Lundin, A.7
Groß, A.8
Schmickler, W.9
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