-
2
-
-
32044453597
-
-
10.1021/ja056811q
-
T. Ogasawara, A. Débart, M. Holzapfel, P. Novák, and P. G. Bruce, J. Am. Chem. Soc. 128, 1390 (2006). 10.1021/ja056811q
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 1390
-
-
Ogasawara, T.1
Débart, A.2
Holzapfel, M.3
Novák, P.4
Bruce, P.G.5
-
3
-
-
84860191490
-
-
10.1021/jz300243r
-
B. D. McCloskey, A. Speidel, R. Scheffler, D. C. Miller, V. Viswanathan, J. S. Hummelshøj, J. K. Nørskov, and A. C. Luntz, J. Phys. Chem. Lett. 3, 997 (2012). 10.1021/jz300243r
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 997
-
-
McCloskey, B.D.1
Speidel, A.2
Scheffler, R.3
Miller, D.C.4
Viswanathan, V.5
Hummelshøj, J.S.6
Nørskov, J.K.7
Luntz, A.C.8
-
4
-
-
77954754227
-
-
10.1021/jz1005384
-
G. Girishkumar, B. D. McCloskey, A. C. Luntz, S. Swanson, and W. Wilcke, J. Phys. Chem. Lett. 1, 2193 (2010). 10.1021/jz1005384
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 2193
-
-
Girishkumar, G.1
McCloskey, B.D.2
Luntz, A.C.3
Swanson, S.4
Wilcke, W.5
-
6
-
-
77149173768
-
-
10.1063/1.3298994
-
J. S. Hummelshøj, J. Blomqvist, S. Datta, T. Vegge, J. Rossmeisl, K. S. Thygesen, A. C. Luntz, K. W. Jacobsen, and J. K. Nørskov, J. Chem. Phys. 132, 071101 (2010). 10.1063/1.3298994
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 071101
-
-
Hummelshøj, J.S.1
Blomqvist, J.2
Datta, S.3
Vegge, T.4
Rossmeisl, J.5
Thygesen, K.S.6
Luntz, A.C.7
Jacobsen, K.W.8
Nørskov, J.K.9
-
7
-
-
84855927066
-
-
10.1021/ja208944x
-
M. D. Radin, J. F. Rodriguez, F. Tian, and D. J. Siegel, J. Am. Chem. Soc. 134, 1093 (2011). 10.1021/ja208944x
-
(2011)
J. Am. Chem. Soc.
, vol.134
, pp. 1093
-
-
Radin, M.D.1
Rodriguez, J.F.2
Tian, F.3
Siegel, D.J.4
-
10
-
-
79551603362
-
-
10.1149/1.3527055
-
P. Albertus, G. Girishkumar, B. D. McCloskey, R. S. Sanchez-Carrera, B. Kozinsky, J. Christensen, and A. C. Luntz, J. Electrochem. Soc. 158 (3), A343 (2011). 10.1149/1.3527055
-
(2011)
J. Electrochem. Soc.
, vol.158
, Issue.3
-
-
Albertus, P.1
Girishkumar, G.2
McCloskey, B.D.3
Sanchez-Carrera, R.S.4
Kozinsky, B.5
Christensen, J.6
Luntz, A.C.7
-
11
-
-
84875433437
-
-
10.1021/jp3107809
-
J. M. Garcia-Lastra, J. S. G. Myrdal, K. S. Thygesen, and T. Vegge, J. Phys. Chem. C 117, 5568 (2013). 10.1021/jp3107809
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 5568
-
-
Garcia-Lastra, J.M.1
Myrdal, J.S.G.2
Thygesen, K.S.3
Vegge, T.4
-
13
-
-
83455177061
-
-
10.1063/1.3663385
-
V. Viswanathan, K. S. Thygesen, J. S. Hummelshøj, J. K. Nørskov, G. Girishkumar, B. D. McCloskey, and A. C. Luntz, J. Chem. Phys. 135, 214704 (2011). 10.1063/1.3663385
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 214704
-
-
Viswanathan, V.1
Thygesen, K.S.2
Hummelshøj, J.S.3
Nørskov, J.K.4
Girishkumar, G.5
McCloskey, B.D.6
Luntz, A.C.7
-
14
-
-
79955384715
-
-
10.1016/j.cattod.2010.12.022
-
J. Chen, J. S. Hummelshøj, K. S. Thygesen, J. S. G. Myrdal, J. K. Nørskov, and T. Vegge, Catal. Today 165, 2 (2011). 10.1016/j.cattod.2010. 12.022
-
(2011)
Catal. Today
, vol.165
, pp. 2
-
-
Chen, J.1
Hummelshøj, J.S.2
Thygesen, K.S.3
Myrdal, J.S.G.4
Nørskov, J.K.5
Vegge, T.6
-
15
-
-
84893096955
-
-
10.1039/c3ee42446d
-
J. B. Varley, V. Viswanathan, J. K. Nørskov, and A. C. Luntz, Energy Environ. Sci. 7, 720 (2014). 10.1039/c3ee42446d
-
(2014)
Energy Environ. Sci.
, vol.7
, pp. 720
-
-
Varley, J.B.1
Viswanathan, V.2
Nørskov, J.K.3
Luntz, A.C.4
-
16
-
-
84886054607
-
-
10.1021/jz401926f
-
A. C. Luntz, V. Viswanathan, J. Voss, J. B. Varley, J. K. Nørskov, R. Scheffler, and A. Speidel, J. Phys. Chem. Lett. 4, 3494 (2013). 10.1021/jz401926f
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 3494
-
-
Luntz, A.C.1
Viswanathan, V.2
Voss, J.3
Varley, J.B.4
Nørskov, J.K.5
Scheffler, R.6
Speidel, A.7
-
17
-
-
84872725743
-
-
10.1021/jz301902h
-
S. R. Gowda, A. Brunet, G. M. Wallraff, and B. D. McCloskey, J. Phys. Chem. Lett. 4, 276 (2013). 10.1021/jz301902h
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 276
-
-
Gowda, S.R.1
Brunet, A.2
Wallraff, G.M.3
McCloskey, B.D.4
-
18
-
-
84872148803
-
-
10.1021/cm303226g
-
R. Younesi, M. Hahlin, F. Björefors, P. Johansson, and K. Edström, Chem. Mater. 25, 77 (2013). 10.1021/cm303226g
-
(2013)
Chem. Mater.
, vol.25
, pp. 77
-
-
Younesi, R.1
Hahlin, M.2
Björefors, F.3
Johansson, P.4
Edström, K.5
-
19
-
-
9144249177
-
-
10.1002/adma.200400177
-
M. J. Siegfried and K. S. Choi, Adv. Mat. 16, 1743 (2004). 10.1002/adma.200400177
-
(2004)
Adv. Mat.
, vol.16
, pp. 1743
-
-
Siegfried, M.J.1
Choi, K.S.2
-
20
-
-
84898068698
-
DFT study of selective poisoning of Li-Air batteries for increased discharge capacity
-
(to be published). 10.1039/C3RA47390B
-
J. S. G. Myrdal and T. Vegge, "DFT study of selective poisoning of Li-Air batteries for increased discharge capacity," RSC Adv. (to be published). 10.1039/C3RA47390B
-
RSC Adv.
-
-
Myrdal, J.S.G.1
Vegge, T.2
-
21
-
-
10644250257
-
-
10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
-
(1964)
Phys. Rev.
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
22
-
-
0042113153
-
-
10.1103/PhysRev.140.A1133
-
W. Kohn and L. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140. A1133
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.2
-
24
-
-
77953748283
-
-
10.1088/0953-8984/22/25/253202
-
J. Enkovaara, C. Rostgaard, J. J. Mortensen, J. Chen, M. Dulak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. A. Hansen, H. H. Kristoffersen, M. Kuisma, A. H. Larsen, L. Lehtovaara, M. Ljungberg, O. Lopez-Acevedo, P. G. Moses, J. Ojanen, T. Olsen, V. Petzold, N. A. Romero, J. Stausholm-Moller, M. Strange, G. A. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Hakkinen, G. K. H. Madsen, R. M. Nieminen, J. K. Nørskov, M. Puska, T. T. Rantala, J. Schiøtz, K. S. Thygesen, and K. W. Jacobsen, J. Phys. Condens. Matter 22, 253202 (2010). 10.1088/0953-8984/22/25/253202
-
(2010)
J. Phys. Condens. Matter
, vol.22
, pp. 253202
-
-
Enkovaara, J.1
Rostgaard, C.2
Mortensen, J.J.3
Chen, J.4
Dulak, M.5
Ferrighi, L.6
Gavnholt, J.7
Glinsvad, C.8
Haikola, V.9
Hansen, H.A.10
Kristoffersen, H.H.11
Kuisma, M.12
Larsen, A.H.13
Lehtovaara, L.14
Ljungberg, M.15
Lopez-Acevedo, O.16
Moses, P.G.17
Ojanen, J.18
Olsen, T.19
Petzold, V.20
Romero, N.A.21
Stausholm-Moller, J.22
Strange, M.23
Tritsaris, G.A.24
Vanin, M.25
Walter, M.26
Hammer, B.27
Hakkinen, H.28
Madsen, G.K.H.29
Nieminen, R.M.30
Nørskov, J.K.31
Puska, M.32
Rantala, T.T.33
Schiøtz, J.34
Thygesen, K.S.35
Jacobsen, K.W.36
more..
-
26
-
-
25744460922
-
-
10.1103/PhysRevB.50.17953
-
P. E. Blöchl, Phys. Rev. 50, 17953 (1994). 10.1103/PhysRevB.50.17953
-
(1994)
Phys. Rev.
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
29
-
-
0003692531
-
-
edited by B. J. Berne, G. Cicotti, and D. F. Coker (World Scientific).
-
H. Jonsson, G. Mills, and K. W. Jacobsen, Classical and Quantum Dynamics in Condensed Phase Systems, edited by B. J. Berne, G. Cicotti, and D. F. Coker (World Scientific, 1998).
-
(1998)
Classical and Quantum Dynamics in Condensed Phase Systems
-
-
Jonsson, H.1
Mills, G.2
Jacobsen, K.W.3
-
32
-
-
9744261716
-
-
10.1021/jp047349j
-
J. K. Nørskov, J. Rossmeisl, A. Logadottir, L. Lindqvist, J. R. Kitchin, T. Bligaard, and H. Jonsson, J. Phys. Chem. B 108, 17886 (2004). 10.1021/jp047349j
-
(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
Jonsson, H.7
-
35
-
-
84897489780
-
-
See supplementary material at E-JCPSA6-140-004413 for Figs. S1-S5.
-
See supplementary material at http://dx.doi.org/10.1063/1.4869212 E-JCPSA6-140-004413 for Figs. S1-S5.
-
-
-
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