-
4
-
-
43049172129
-
-
R. A. Dagle, A. Platon, D. R. Palo, A. K. Datye, J. M. Vohs, Y. Wang Appl. Catal., A, 2008, 342, 63-68
-
(2008)
Appl. Catal., A
, vol.342
, pp. 63-68
-
-
Dagle, R.A.1
Platon, A.2
Palo, D.R.3
Datye, A.K.4
Vohs, J.M.5
Wang, Y.6
-
5
-
-
0040736263
-
-
B. A. Peppley, J. C. Amphlett, L. M. Kearns, R. F. Mann Appl. Catal., A, 1999, 179, 21-29
-
(1999)
Appl. Catal., A
, vol.179
, pp. 21-29
-
-
Peppley, B.A.1
Amphlett, J.C.2
Kearns, L.M.3
Mann, R.F.4
-
6
-
-
4344674669
-
-
W. B. Kim, T. Voitl, G. J. Rodriguez-Rivera, J. A. Dumesic Science, 2004, 305, 1280-1283
-
(2004)
Science
, vol.305
, pp. 1280-1283
-
-
Kim, W.B.1
Voitl, T.2
Rodriguez-Rivera, G.J.3
Dumesic, J.A.4
-
7
-
-
50949123759
-
-
K. D. Zhi, Q. S. Liu, R. G. Zhao, R. X. He, L. F. Zhang J. Rare Earths, 2008, 26, 538-543
-
(2008)
J. Rare Earths
, vol.26
, pp. 538-543
-
-
Zhi, K.D.1
Liu, Q.S.2
Zhao, R.G.3
He, R.X.4
Zhang, L.F.5
-
8
-
-
33746270737
-
-
W. L. Deng, M. Flytzani-Stephanopoulos Angew. Chem., Int. Ed., 2006, 45, 2285-2289
-
(2006)
Angew. Chem., Int. Ed.
, vol.45
, pp. 2285-2289
-
-
Deng, W.L.1
Flytzani-Stephanopoulos, M.2
-
9
-
-
0036379745
-
-
M. A. Edwards, D. M. Whittle, C. Rhodes, A. M. Ward, D. Rohan, M. D. Shannon, G. J. Hutchings, C. J. Kiely Phys. Chem. Chem. Phys., 2002, 4, 3902-3908
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 3902-3908
-
-
Edwards, M.A.1
Whittle, D.M.2
Rhodes, C.3
Ward, A.M.4
Rohan, D.5
Shannon, M.D.6
Hutchings, G.J.7
Kiely, C.J.8
-
11
-
-
0035742480
-
-
P. Kappen, J.-D. Grunwaldt, B. S. Hammershøi, L. Tröger, B. S. Clausen J. Catal., 2001, 198, 56-65
-
(2001)
J. Catal.
, vol.198
, pp. 56-65
-
-
Kappen, P.1
Grunwaldt, J.-D.2
Hammershøi, B.S.3
Tröger, L.4
Clausen, B.S.5
-
12
-
-
68749110630
-
-
M. Estrella, L. Barrio, G. Zhou, X. Q. Wang, Q. Wang, W. Wen, J. C. Hanson, A. I. Frenkel, J. A. Rodriguez J. Phys. Chem. C, 2009, 113, 14411-14417
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 14411-14417
-
-
Estrella, M.1
Barrio, L.2
Zhou, G.3
Wang, X.Q.4
Wang, Q.5
Wen, W.6
Hanson, J.C.7
Frenkel, A.I.8
Rodriguez, J.A.9
-
13
-
-
24944467333
-
-
E. Florez, W. Tiznado, F. Mondragon, P. Fuentealba J. Phys. Chem. A, 2005, 109, 7815-7821
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7815-7821
-
-
Florez, E.1
Tiznado, W.2
Mondragon, F.3
Fuentealba, P.4
-
14
-
-
33646377424
-
-
A. Poater, M. Duran, P. Jaque, A. Toro-Labbe, M. Sola J. Phys. Chem. B, 2006, 110, 6526-6536
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 6526-6536
-
-
Poater, A.1
Duran, M.2
Jaque, P.3
Toro-Labbe, A.4
Sola, M.5
-
15
-
-
18144373147
-
-
G. H. Guvelioglu, P. Ma, X. He, R. C. Forrey, H. Cheng Phys. Rev. Lett., 2005, 94, 026103.
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 26103
-
-
Guvelioglu, G.H.1
Ma, P.2
He, X.3
Forrey, R.C.4
Cheng, H.5
-
16
-
-
33646264573
-
-
R. C. Forrey, G. H. Guvelioglu, P. Ma, X. He, H. Cheng Phys. Rev. B: Condens. Matter Mater. Phys., 2006, 73, 155437.
-
(2006)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.73
, pp. 155437
-
-
Forrey, R.C.1
Guvelioglu, G.H.2
Ma, P.3
He, X.4
Cheng, H.5
-
17
-
-
33646256355
-
-
G. H. Guvelioglu, P. Ma, X. He, R. C. Forrey, H. Cheng Phys. Rev. B: Condens. Matter Mater. Phys., 2006, 73, 155436-155410
-
(2006)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.73
, pp. 155410-155436
-
-
Guvelioglu, G.H.1
Ma, P.2
He, X.3
Forrey, R.C.4
Cheng, H.5
-
18
-
-
25444433290
-
-
M. Ichihashi, C. A. Corbett, T. Hanmura, J. M. Lisy, T. Kondow J. Phys. Chem. A, 2005, 109, 7872-7880
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7872-7880
-
-
Ichihashi, M.1
Corbett, C.A.2
Hanmura, T.3
Lisy, J.M.4
Kondow, T.5
-
19
-
-
33748643606
-
-
J. Nakamura, J. M. Campbell, C. T. Campbell J. Chem. Soc., Faraday Trans., 1990, 86, 2725-2734
-
(1990)
J. Chem. Soc., Faraday Trans.
, vol.86
, pp. 2725-2734
-
-
Nakamura, J.1
Campbell, J.M.2
Campbell, C.T.3
-
20
-
-
20444424535
-
-
K. Andersson, A. Gómez, C. Glover, D. Nordlund, H. Öström, T. Schiros, O. Takahashi, H. Ogasawara, L. G. M. Pettersson, A. Nilsson Surf. Sci., 2005, 585, L183-L189
-
(2005)
Surf. Sci.
, vol.585
, pp. L183-L189
-
-
Andersson, K.1
Gómez, A.2
Glover, C.3
Nordlund, D.4
Öström, H.5
Schiros, T.6
Takahashi, O.7
Ogasawara, H.8
Pettersson, L.G.M.9
Nilsson, A.10
-
21
-
-
40949140563
-
-
K. Andersson, G. Ketteler, H. Bluhm, S. Yamamoto, H. Ogasawara, L. G. M. Pettersson, M. Salmeron, A. Nilsson J. Am. Chem. Soc., 2008, 130, 2793-2797
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 2793-2797
-
-
Andersson, K.1
Ketteler, G.2
Bluhm, H.3
Yamamoto, S.4
Ogasawara, H.5
Pettersson, L.G.M.6
Salmeron, M.7
Nilsson, A.8
-
23
-
-
38649129391
-
-
A. A. Gokhale, J. A. Dumesic, M. Mavrikakis J. Am. Chem. Soc., 2008, 130, 1402-1414
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 1402-1414
-
-
Gokhale, A.A.1
Dumesic, J.A.2
Mavrikakis, M.3
-
25
-
-
34548070458
-
-
F. Wang, D. Zhang, H. Sun, Y. Ding J. Phys. Chem. C, 2007, 111, 11590-11597
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 11590-11597
-
-
Wang, F.1
Zhang, D.2
Sun, H.3
Ding, Y.4
-
26
-
-
44149096430
-
-
C. D. Zeinalipour-Yazdi, A. L. Cooksy, A. M. Efstathiou Surf. Sci., 2008, 602, 1858-1862
-
(2008)
Surf. Sci.
, vol.602
, pp. 1858-1862
-
-
Zeinalipour-Yazdi, C.D.1
Cooksy, A.L.2
Efstathiou, A.M.3
-
27
-
-
34248205045
-
-
L. Chen, A. C. Cooper, G. P. Pez, H. Cheng J. Phys. Chem. C, 2007, 111, 5514-5519
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 5514-5519
-
-
Chen, L.1
Cooper, A.C.2
Pez, G.P.3
Cheng, H.4
-
28
-
-
34548595453
-
-
C. Zhou, J. Wu, A. Nie, R. C. Forrey, A. Tachibana, H. Cheng J. Phys. Chem. C, 2007, 111, 12773-12778
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 12773-12778
-
-
Zhou, C.1
Wu, J.2
Nie, A.3
Forrey, R.C.4
Tachibana, A.5
Cheng, H.6
-
29
-
-
51049109183
-
-
C. Zhou, S. Yao, J. Wu, R. C. Forrey, L. Chen, A. Tachibana, H. Cheng Phys. Chem. Chem. Phys., 2008, 10, 5445-5451
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 5445-5451
-
-
Zhou, C.1
Yao, S.2
Wu, J.3
Forrey, R.C.4
Chen, L.5
Tachibana, A.6
Cheng, H.7
-
30
-
-
85035245260
-
-
2O, Cu-O and Cu-H bonds of 5.18 eV, 0.22 eV, 3.68 eV, and 2.78 eV, respectively, compared reasonably well with the corresponding experimental values of 5.10 eV, 0.22 eV, 2.85 eV and 2.75 eV. (ref. 34-37) We note here that the gas phase experimental values on CuO and CuH were derived at very high temperatures, while computationally, the bond energies were calculated at 0 K under the harmonic approximation. The lower values of computed bond energies are thus expected
-
2O, Cu-O and Cu-H bonds of 5.18 eV, 0.22 eV, 3.68 eV, and 2.78 eV, respectively, compared reasonably well with the corresponding experimental values of 5.10 eV, 0.22 eV, 2.85 eV and 2.75 eV. (ref. 34-37) We note here that the gas phase experimental values on CuO and CuH were derived at very high temperatures, while computationally, the bond energies were calculated at 0 K under the harmonic approximation. The lower values of computed bond energies are thus expected
-
-
-
-
32
-
-
63249111566
-
-
J. Wang, L. Zhang, Q. Zeng, G. L. Vignoles, L. Cheng, A. Guette Phys. Rev. B: Condens. Matter Mater. Phys., 2009, 79, 125304.
-
(2009)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.79
, pp. 125304
-
-
Wang, J.1
Zhang, L.2
Zeng, Q.3
Vignoles, G.L.4
Cheng, L.5
Guette, A.6
-
33
-
-
70349306255
-
-
M. Dai, Y. Wang, J. Kwon, M. D. Halls, Y. J. Chabal Nat. Mater., 2009, 8, 825-830
-
(2009)
Nat. Mater.
, vol.8
, pp. 825-830
-
-
Dai, M.1
Wang, Y.2
Kwon, J.3
Halls, M.D.4
Chabal, Y.J.5
-
34
-
-
0037149752
-
-
B. Ruscic, A. F. Wagner, L. B. Harding, R. L. Asher, D. Feller, D. A. Dixon, K. A. Peterson, Y. Song, X. Qian, C.-Y. Ng, J. Liu, W. Chen, D. W. Schwenke J. Phys. Chem. A, 2002, 106, 2727-2747
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 2727-2747
-
-
Ruscic, B.1
Wagner, A.F.2
Harding, L.B.3
Asher, R.L.4
Feller, D.5
Dixon, D.A.6
Peterson, K.A.7
Song, Y.8
Qian, X.9
Ng, C.-Y.10
Liu, J.11
Chen, W.12
Schwenke, D.W.13
-
35
-
-
0030079225
-
-
M. W. Feyereisen, D. Feller, D. A. Dixon J. Phys. Chem., 1996, 100, 2993-2997
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2993-2997
-
-
Feyereisen, M.W.1
Feller, D.2
Dixon, D.A.3
-
36
-
-
0000222973
-
-
L. R. Watson, T. L. Thiem, R. A. Dressler, R. H. Salter, E. Murad J. Phys. Chem., 1993, 97, 5577-5580
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 5577-5580
-
-
Watson, L.R.1
Thiem, T.L.2
Dressler, R.A.3
Salter, R.H.4
Murad, E.5
-
39
-
-
85035214136
-
-
2O molecule. This energy is considerably higher than the conventional H-bond energy since the adsorption of the first water molecule on the cluster gives rise to a weaker O-H bond in the molecule and thus enhances the interaction strength with the second water molecule, which also interacts weakly with the Cu atoms nearby
-
2O molecule. This energy is considerably higher than the conventional H-bond energy since the adsorption of the first water molecule on the cluster gives rise to a weaker O-H bond in the molecule and thus enhances the interaction strength with the second water molecule, which also interacts weakly with the Cu atoms nearby
-
-
-
-
40
-
-
65649099410
-
-
Q.-L. Tang, Z.-X. Chen, X. He Surf. Sci., 2009, 603, 2138-2144
-
(2009)
Surf. Sci.
, vol.603
, pp. 2138-2144
-
-
Tang, Q.-L.1
Chen, Z.-X.2
He, X.3
-
41
-
-
85035222713
-
-
The discrepancy is likely due to the fact that the surface calculation was done with two adjacent OH species on the surface without presence of H adatoms. In our calculation, the starting geometry was chosen based on full geometry optimization of two dissociated water molecules (Fig. 6)
-
The discrepancy is likely due to the fact that the surface calculation was done with two adjacent OH species on the surface without presence of H adatoms. In our calculation, the starting geometry was chosen based on full geometry optimization of two dissociated water molecules (Fig. 6)
-
-
-
-
42
-
-
30744471121
-
-
M. Yang, K. A. Jackson, C. Koehler, T. Frauenheim, J. Jellinek J. Chem. Phys., 2006, 124, 024308-024306
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 24306-24308
-
-
Yang, M.1
Jackson, K.A.2
Koehler, C.3
Frauenheim, T.4
Jellinek, J.5
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