-
1
-
-
0001547046
-
Novel gold catalysts for the oxidation of carbon-monoxide at a temperature far below 0 °C
-
Haruta, M.; Kabayashi, T.; Sano, H.; Yamada, N. Novel gold catalysts for the oxidation of carbon-monoxide at a temperature far below 0 °C. Chem. Lett. 1987, 16, 405-408.
-
(1987)
Chem. Lett.
, vol.16
, pp. 405-408
-
-
Haruta, M.1
Kabayashi, T.2
Sano, H.3
Yamada, N.4
-
2
-
-
0000458041
-
Size- and support-dependency in the catalysis of gold
-
Haruta, M. Size- and support-dependency in the catalysis of gold. Catal. Today1997, 36, 153-166.
-
(1997)
Catal. Today
, vol.36
, pp. 153-166
-
-
Haruta, M.1
-
3
-
-
0347723661
-
2 catalysts in the presence of oxygen and hydrogen
-
2 catalysts in the presence of oxygen and hydrogen. J. Catal. 1998, 178, 566-575.
-
(1998)
J. Catal.
, vol.178
, pp. 566-575
-
-
Hayashi, T.1
Tanaka, K.2
Haruta, M.3
-
5
-
-
60149112596
-
Selective Propene epoxidation on immobilized Au6-10 clusters: The Effect of hydrogen and water on activity and selectivity
-
Lee, S.; Molina, L. M.; López, M. J.; Alonso, J. A.; Hammer, B.; Lee, B.; Seifert, S.; Winans, R. E.; Elam, J. W.; Pellin, M. J.; Vajda, S. Selective Propene epoxidation on immobilized Au6-10 clusters: The Effect of hydrogen and water on activity and selectivity. Angew. Chem. Int. Ed. 2009, 48, 1467-1471.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 1467-1471
-
-
Lee, S.1
Molina, L.M.2
López, M.J.3
Alonso, J.A.4
Hammer, B.5
Lee, B.6
Seifert, S.7
Winans, R.E.8
Elam, J.W.9
Pellin, M.J.10
Vajda, S.11
-
7
-
-
70349659519
-
Propene epoxidation with dioxygen catalyzed by gold clusters
-
Huang, J. H.; Akita, T.; Faye, J.; Fujitani, T.; Takei, T.; Haruta, M. Propene epoxidation with dioxygen catalyzed by gold clusters. Angew. Chem. Int. Ed. 2009, 48, 7862-7866.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 7862-7866
-
-
Huang, J.H.1
Akita, T.2
Faye, J.3
Fujitani, T.4
Takei, T.5
Haruta, M.6
-
8
-
-
34447260582
-
An all-electron numerical-method for solving the local density functional for polyatomic-molecules
-
Delley, B. An all-electron numerical-method for solving the local density functional for polyatomic-molecules. J. Chem. Phys. 1990, 92, 508-517.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 508-517
-
-
Delley, B.1
-
9
-
-
0034319689
-
3 approach
-
3 approach. J. Chem. Phys. 2000, 113, 7756-7764.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7756-7764
-
-
Delley, B.1
-
10
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77, 3865-3868.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
11
-
-
0037110056
-
Hardness conserving semilocal pseudopotentials
-
Delley, B. Hardness conserving semilocal pseudopotentials. Phys. Rev. B2002, 113, 155125.
-
(2002)
Phys. Rev. B
, vol.113
, pp. 155125
-
-
Delley, B.1
-
13
-
-
0142008382
-
A generalized synchronous transit method for transition state location
-
Govind, N.; Petersen, M.; Fitzgerald, G.; King-Smith D.; Andzelm. J. A generalized synchronous transit method for transition state location. Comp. Mater. Sci. 2003, 28, 250-258.
-
(2003)
Comp. Mater. Sci.
, vol.28
, pp. 250-258
-
-
Govind, N.1
Petersen, M.2
Fitzgerald, G.3
King-Smith, D.4
Andzelm, J.5
-
14
-
-
0038622001
-
2 with gold clusters: Molecular and dissociative adsorption
-
2 with gold clusters: Molecular and dissociative adsorption. J. Phys. Chem. A2003, 107, 4066-4071.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4066-4071
-
-
Yoon, B.1
Häkkinen, H.2
Landman, U.3
-
15
-
-
0037174405
-
Catalytic CO oxidation by a gold nanoparticle: A density functional study
-
López, N.; Nørskov, J. K. Catalytic CO oxidation by a gold nanoparticle: A density functional study. J. Am. Chem. Soc. 2002, 124, 11262-11263.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11262-11263
-
-
López, N.1
Nørskov, J.K.2
-
19
-
-
77949357512
-
Adsorption-induced structural changes of gold cations from two- to three-dimensions
-
Yang, X. -F.; Wang, Y. -L.; Zhao, Y. -F.; Wang, A. -Q.; Zhang, T.; Li, J. Adsorption-induced structural changes of gold cations from two- to three-dimensions. Phys. Chem. Chem. Phys. 2010, 12, 3038-3043.
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 3038-3043
-
-
Yang, X.-F.1
Wang, Y.-L.2
Zhao, Y.-F.3
Wang, A.-Q.4
Zhang, T.5
Li, J.6
-
20
-
-
27144490699
-
Water-enhanced catalysis of CO oxidation on free and supported gold nanoclusters
-
Bongiorno, A.; Landman, U. Water-enhanced catalysis of CO oxidation on free and supported gold nanoclusters. Phys. Rev. Lett. 2005, 95, 106102.
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 106102
-
-
Bongiorno, A.1
Landman, U.2
-
21
-
-
0027998142
-
Size-dependent catalytic activity of supported metal-clusters
-
Xu, Z.; Xiao, F. S.; Purnell, S. K.; Alexeev, O.; Kawl, S.; Deutsch, S. E.; Gates, B. C. Size-dependent catalytic activity of supported metal-clusters. Nature1994, 372, 346-348.
-
(1994)
Nature
, vol.372
, pp. 346-348
-
-
Xu, Z.1
Xiao, F.S.2
Purnell, S.K.3
Alexeev, O.4
Kawl, S.5
Deutsch, S.E.6
Gates, B.C.7
-
23
-
-
47749093113
-
Spectroscopic evidence for the adsorption of propene on gold nano-particles during the hydro-epoxidation of propene
-
Nijhuis, T. A.; Sacaliuc, E.; Beale, A. M.; van der Eerden, A. M. J.; Schouten, J. C.; Weckhuysen, B. M. Spectroscopic evidence for the adsorption of propene on gold nano-particles during the hydro-epoxidation of propene. J. Catal. 2008, 258, 256-264.
-
(2008)
J. Catal.
, vol.258
, pp. 256-264
-
-
Nijhuis, T.A.1
Sacaliuc, E.2
Beale, A.M.3
van der Eerden, A.M.J.4
Schouten, J.C.5
Weckhuysen, B.M.6
-
24
-
-
73849094271
-
Combined experimental and theoretical investigation on the selectivities of Ag, Au, and Pt catalysts for hydrogenation of crotonaldehyde
-
Yang, X. F.; Wang, A. Q.; Wang, X. D.; Zhang, T.; Han, K.; Li, J. Combined experimental and theoretical investigation on the selectivities of Ag, Au, and Pt catalysts for hydrogenation of crotonaldehyde. J. Phys. Chem. C2009, 113, 20918-20926.
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 20918-20926
-
-
Yang, X.F.1
Wang, A.Q.2
Wang, X.D.3
Zhang, T.4
Han, K.5
Li, J.6
-
25
-
-
77649130884
-
Unusual selectivity of gold catalysts for hydrogenation of 1,3-butadiene toward cis-2-butene: A joint experimental and theoretical investigation
-
Yang, X. F.; Wang, A. Q.; Wang, Y. L.; Zhang, T.; Li, J. Unusual selectivity of gold catalysts for hydrogenation of 1, 3-butadiene toward cis-2-butene: A joint experimental and theoretical investigation. J. Phys. Chem. C2010, 114, 3131-3139.
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 3131-3139
-
-
Yang, X.F.1
Wang, A.Q.2
Wang, Y.L.3
Zhang, T.4
Li, J.5
-
29
-
-
0037109547
-
The structures of small gold cluster anions as determined by a combination of ion mobility measurements and density functional calculations
-
Furche, F.; Ahlrichs, R.; Weis, P.; Jacob, C.; Gilb, S.; Bierweiler, T.; Kappes, M. M. The structures of small gold cluster anions as determined by a combination of ion mobility measurements and density functional calculations. J. Chem. Phys. 2002, 117, 6982-6990.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 6982-6990
-
-
Furche, F.1
Ahlrichs, R.2
Weis, P.3
Jacob, C.4
Gilb, S.5
Bierweiler, T.6
Kappes, M.M.7
-
30
-
-
0041887221
-
- (N = 4-14) clusters: A photoelectron spectroscopy and density-functional study
-
- (N = 4-14) clusters: A photoelectron spectroscopy and density-functional study. J. Phys. Chem. A2003, 107, 6168-6175.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 6168-6175
-
-
Häkkinen, H.1
Yoon, B.2
Landman, U.3
Li, X.4
Zhai, H.J.5
Wang, L.S.6
-
31
-
-
27744437032
-
Experimental and Theoretical Investigation of the Electronic and Geometrical Structures of the Au32 Cluster
-
Ji, M.; Gu, X.; Li, X.; Gong, X.; Li, J.; Wang, L. S. Experimental and Theoretical Investigation of the Electronic and Geometrical Structures of the Au32 Cluster. Angew. Chem. Int. Ed. 2005, 44, 7119-7123.
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 7119-7123
-
-
Ji, M.1
Gu, X.2
Li, X.3
Gong, X.4
Li, J.5
Wang, L.S.6
-
32
-
-
1542317792
-
Evidence of defect-promoted reactivity for epoxidation of propylene in titanosilicate (TS-1) catalysts: A DFT study
-
Wells, D. H.; Delgass, W. N.; Thomson, K. T. Evidence of defect-promoted reactivity for epoxidation of propylene in titanosilicate (TS-1) catalysts: A DFT study. J. Am. Chem. Soc. 2004, 126, 2956-2962.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 2956-2962
-
-
Wells, D.H.1
Delgass, W.N.2
Thomson, K.T.3
-
33
-
-
0000835953
-
Catalytic activity of titanium silicalites: A DFT study
-
Vayssilov, G. N.; van Santen, R. A. Catalytic activity of titanium silicalites: A DFT study. J. Catal. 1998, 175, 170-174.
-
(1998)
J. Catal.
, vol.175
, pp. 170-174
-
-
Vayssilov, G.N.1
van Santen, R.A.2
-
34
-
-
0000801452
-
Quantum chemical study of the mechanism of partial oxidation reactivity in titano-silicate catalysts: Active site formation, oxygen transfer, and catalyst deactivation
-
Sinclair, P. E.; Catlow, C. R. A. Quantum chemical study of the mechanism of partial oxidation reactivity in titano-silicate catalysts: Active site formation, oxygen transfer, and catalyst deactivation. J. Phys. Chem. B1999, 103, 1084-1095.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 1084-1095
-
-
Sinclair, P.E.1
Catlow, C.R.A.2
-
35
-
-
0035799550
-
A DFT study on peroxo-complex in titanosilicate catalyst: Hydrogen peroxide activation on titanosilicalite-1 catalyst and reaction mechanisms for catalytic olefin epoxidation and for hydroxylamine formation from ammonia
-
Munakata, H.; Oumi, Y.; Miyamoto, A. A DFT study on peroxo-complex in titanosilicate catalyst: Hydrogen peroxide activation on titanosilicalite-1 catalyst and reaction mechanisms for catalytic olefin epoxidation and for hydroxylamine formation from ammonia. J. Phys. Chem. B2001, 105, 3493-3501.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 3493-3501
-
-
Munakata, H.1
Oumi, Y.2
Miyamoto, A.3
-
36
-
-
33644776927
-
Partial oxidation of propylene to propylene oxide over a neutral gold trimer in the gas phase: A density functional theory study
-
Joshi, A. M.; Delgass, W. N.; Thomson, K. T. Partial oxidation of propylene to propylene oxide over a neutral gold trimer in the gas phase: A density functional theory study. J. Phys. Chem. B2006, 110, 2572-2581.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 2572-2581
-
-
Joshi, A.M.1
Delgass, W.N.2
Thomson, K.T.3
-
37
-
-
5044220961
-
The structure of catalytically active gold on titania
-
Chen, M. S.; Goodman, D. W. The structure of catalytically active gold on titania. Science2004, 306, 252-255.
-
(2004)
Science
, vol.306
, pp. 252-255
-
-
Chen, M.S.1
Goodman, D.W.2
-
38
-
-
33746291821
-
Do quantum size effects control CO adsorption on gold nanoparticles?
-
Lemire, C.; Meyer, R.; Shaikhutdinov, S.; Freund, H. J. Do quantum size effects control CO adsorption on gold nanoparticles? Angew. Chem. Int. Ed. 2004, 43, 118-121.
-
(2004)
Angew. Chem. Int. Ed.
, vol.43
, pp. 118-121
-
-
Lemire, C.1
Meyer, R.2
Shaikhutdinov, S.3
Freund, H.J.4
-
39
-
-
0037436556
-
The impact of nanoscience on heterogeneous catalysis
-
Bell, A. T. The impact of nanoscience on heterogeneous catalysis. Science2003, 299, 1688-1691.
-
(2003)
Science
, vol.299
, pp. 1688-1691
-
-
Bell, A.T.1
-
40
-
-
55849092879
-
Reaction-driven restructuring of Rh-Pd and Pt-Pd core-shell nanoparticles
-
Tao, F.; Grass, M. E.; Zhang, Y. W.; Butcher, D. R.; Renzas, J. R.; Liu, Z.; Chung J. Y.; Mun, B. S.; Salmeron, M.; Somorjai, G. A. Reaction-driven restructuring of Rh-Pd and Pt-Pd core-shell nanoparticles. Science2008, 322, 932-934.
-
(2008)
Science
, vol.322
, pp. 932-934
-
-
Tao, F.1
Grass, M.E.2
Zhang, Y.W.3
Butcher, D.R.4
Renzas, J.R.5
Liu, Z.6
Chung, J.Y.7
Mun, B.S.8
Salmeron, M.9
Somorjai, G.A.10
-
41
-
-
17644394901
-
In situ UV-vis studies of the effect of particle size on the epoxidation of ethylene and propylene on supported silver catalysts with molecular oxygen
-
Lu, J.; Bravo-Suárez, J. J.; Takahashi, A.; Haruta, M.; Oyama, S. T. In situ UV-vis studies of the effect of particle size on the epoxidation of ethylene and propylene on supported silver catalysts with molecular oxygen. J. Catal. 2005, 232, 85-95.
-
(2005)
J. Catal.
, vol.232
, pp. 85-95
-
-
Lu, J.1
Bravo-Suárez, J.J.2
Takahashi, A.3
Haruta, M.4
Oyama, S.T.5
-
43
-
-
0035353472
-
Highly selective propene epoxidation with hydrogen/oxygen mixtures over titania-supported silver catalysts
-
de Oliveira, A. L.; Wolf, A.; Schuth, F. Highly selective propene epoxidation with hydrogen/oxygen mixtures over titania-supported silver catalysts. Catal. Lett. 2001, 73, 157-160.
-
(2001)
Catal. Lett.
, vol.73
, pp. 157-160
-
-
de Oliveira, A.L.1
Wolf, A.2
Schuth, F.3
-
44
-
-
67349220461
-
Origin of the size dependence of Au nanoparticles toward molecular oxygen dissociation
-
Roldan, A.; Ricart, J. M.; Illas, F. Origin of the size dependence of Au nanoparticles toward molecular oxygen dissociation. Theor. Chem. Acc. 2009, 123, 119-126.
-
(2009)
Theor. Chem. Acc.
, vol.123
, pp. 119-126
-
-
Roldan, A.1
Ricart, J.M.2
Illas, F.3
|