-
1
-
-
0034867872
-
Catalytic Functionalization of Arenes and Alkanes via C-H Bond Activation
-
Jia, C.; Kitamura, T.; Fujiwara, Y. Catalytic Functionalization of Arenes and Alkanes via C-H Bond Activation Acc. Chem. Res. 2001, 34 (8) 633-639 10.1021/ar000209h
-
(2001)
Acc. Chem. Res.
, vol.34
, Issue.8
, pp. 633-639
-
-
Jia, C.1
Kitamura, T.2
Fujiwara, Y.3
-
2
-
-
0037198618
-
Understanding and Exploiting C-H Bond Activation
-
Labinger, J. A.; Bercaw, J. E. Understanding and Exploiting C-H Bond Activation Nature 2002, 417 (6888) 507-514 10.1038/417507a
-
(2002)
Nature
, vol.417
, Issue.6888
, pp. 507-514
-
-
Labinger, J.A.1
Bercaw, J.E.2
-
3
-
-
84863486814
-
Designing Catalysts for Functionalization of Unactivated C-H Bonds Based on the CH Activation Reaction
-
Hashiguchi, B. G.; Bischof, S. M.; Konnick, M. M.; Periana, R. A. Designing Catalysts for Functionalization of Unactivated C-H Bonds Based on the CH Activation Reaction Acc. Chem. Res. 2012, 45 (6) 885-898 10.1021/ar200250r
-
(2012)
Acc. Chem. Res.
, vol.45
, Issue.6
, pp. 885-898
-
-
Hashiguchi, B.G.1
Bischof, S.M.2
Konnick, M.M.3
Periana, R.A.4
-
4
-
-
84894170786
-
Promoters in Heterogeneous Catalysis: The Role of Cl on Ethylene Epoxidation over Ag
-
Rocha, T. C. R.; Hävecker, M.; Knop-Gericke, A.; Schlögl, R. Promoters in Heterogeneous Catalysis: the Role of Cl on Ethylene Epoxidation Over Ag J. Catal. 2014, 312, 12-16 10.1016/j.jcat.2014.01.002
-
(2014)
J. Catal.
, vol.312
, pp. 12-16
-
-
Rocha, T.C.R.1
Hävecker, M.2
Knop-Gericke, A.3
Schlögl, R.4
-
5
-
-
0026861156
-
Oxygen-Assisted Cleavage of O-H, N-H, and C-H Bonds on Transition Metal Surfaces: Bond-Order-Conservation-Morse-Potential Analysis
-
Shustorovich, E.; Bell, A. T. Oxygen-Assisted Cleavage of O-H, N-H, and C-H Bonds on Transition Metal Surfaces: Bond-Order-Conservation-Morse-Potential Analysis Surf. Sci. 1992, 268 (1-3) 397-405 10.1016/0039-6028(92)90979-G
-
(1992)
Surf. Sci.
, vol.268
, Issue.13
, pp. 397-405
-
-
Shustorovich, E.1
Bell, A.T.2
-
6
-
-
0000121915
-
Structure and Stability of a High-Coverage (1 × 1) Oxygen Phase on Ru(0001)
-
Stampfl, C.; Schwegmann, S.; Over, H.; Scheffler, M.; Ertl, G. Structure and Stability of a High-Coverage (1 × 1) Oxygen Phase on Ru(0001) Phys. Rev. Lett. 1996, 77 (16) 3371-3374 10.1103/PhysRevLett.77.3371
-
(1996)
Phys. Rev. Lett.
, vol.77
, Issue.16
, pp. 3371-3374
-
-
Stampfl, C.1
Schwegmann, S.2
Over, H.3
Scheffler, M.4
Ertl, G.5
-
7
-
-
0042768625
-
Why Is a Noble Metal Catalytically Active? the Role of the O-Ag Interaction in the Function of Silver as an Oxidation Catalyst
-
Li, W.-X.; Stampfl, C.; Scheffler, M. Why Is a Noble Metal Catalytically Active? the Role of the O-Ag Interaction in the Function of Silver as an Oxidation Catalyst Phys. Rev. Lett. 2003, 90 (25) 256102 10.1103/PhysRevLett.90.256102
-
(2003)
Phys. Rev. Lett.
, vol.90
, Issue.25
, pp. 256102
-
-
Li, W.-X.1
Stampfl, C.2
Scheffler, M.3
-
8
-
-
0000452823
-
Generation of Active Oxygen Species on Solid Surfaces. Opportunity for Novel Oxidation Technologies over Zeolites
-
Panov, G. I.; Uriarte, A. K.; Rodkin, M. A.; Sobolev, V. I. Generation of Active Oxygen Species on Solid Surfaces. Opportunity for Novel Oxidation Technologies Over Zeolites Catal. Today 1998, 41 (4) 365-385 10.1016/S0920-5861(98)00026-1
-
(1998)
Catal. Today
, vol.41
, Issue.4
, pp. 365-385
-
-
Panov, G.I.1
Uriarte, A.K.2
Rodkin, M.A.3
Sobolev, V.I.4
-
9
-
-
0032494990
-
Dissociation of Methane on Different Transition Metals
-
Liao, M.-S.; Zhang, Q.-E. Dissociation of Methane on Different Transition Metals J. Mol. Catal. A: Chem. 1998, 136 (2) 185-194 10.1016/S1381-1169(98)00050-8
-
(1998)
J. Mol. Catal. A: Chem.
, vol.136
, Issue.2
, pp. 185-194
-
-
Liao, M.-S.1
Zhang, Q.-E.2
-
10
-
-
0023978738
-
Direct Partial Oxidation of Methane: Effect of the Oxidant on the Reaction
-
Hutchings, G. J.; Scurrell, M. S.; Woodhouse, J. R. Direct Partial Oxidation of Methane: Effect of the Oxidant on the Reaction Appl. Catal. 1988, 38 (1) 157-165 10.1016/S0166-9834(00)80994-X
-
(1988)
Appl. Catal.
, vol.38
, Issue.1
, pp. 157-165
-
-
Hutchings, G.J.1
Scurrell, M.S.2
Woodhouse, J.R.3
-
11
-
-
0041905494
-
The Concentration of Oxygen Species over SiO2-Supported Rh and Ru Catalysts and Its Relationship with the Mechanism of Partial Oxidation of Methane to Synthesis Gas
-
Weng, W. Z.; Yan, Q. G.; Luo, C. R.; Liao, Y. Y.; Wan, H. L. The Concentration of Oxygen Species Over SiO2-Supported Rh and Ru Catalysts and Its Relationship with the Mechanism of Partial Oxidation of Methane to Synthesis Gas Catal. Lett. 2001, 74 (1-2) 37-43 10.1023/A:1016614510422
-
(2001)
Catal. Lett.
, vol.74
, Issue.12
, pp. 37-43
-
-
Weng, W.Z.1
Yan, Q.G.2
Luo, C.R.3
Liao, Y.Y.4
Wan, H.L.5
-
12
-
-
84922599674
-
On the Role of the Surface Oxygen Species during a-H (a = C, N, O) Bond Activation: A Density Functional Theory Study
-
Yoo, J. S.; Khan, T. S.; Abild-Pedersen, F.; Nørskov, J. K.; Studt, F. On the Role of the Surface Oxygen Species During a-H (a = C, N, O) Bond Activation: a Density Functional Theory Study Chem. Commun. 2015, 51, 2621-2624 10.1039/C4CC08658A
-
(2015)
Chem. Commun.
, vol.51
, pp. 2621-2624
-
-
Yoo, J.S.1
Khan, T.S.2
Abild-Pedersen, F.3
Nørskov, J.K.4
Studt, F.5
-
13
-
-
0020338933
-
-
Elsevier: New York, Vol.
-
Bartholomew, C. H.; Agrawal, P. K.; Katzer, J. R. Sulfur Poisoning of Metals; Advances in Catalysis; Elsevier: New York, 1982; Vol. 31, pp 135-242.
-
(1982)
Sulfur Poisoning of Metals; Advances in Catalysis
, vol.31
, pp. 135-242
-
-
Bartholomew, C.H.1
Agrawal, P.K.2
Katzer, J.R.3
-
14
-
-
84908228936
-
Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides
-
Sattler, J. J. H. B.; Ruiz-Martinez, J.; Santillan-Jimenez, E.; Weckhuysen, B. M. Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides Chem. Rev. 2014, 114 (20) 10613-10653 10.1021/cr5002436
-
(2014)
Chem. Rev.
, vol.114
, Issue.20
, pp. 10613-10653
-
-
Sattler, J.J.H.B.1
Ruiz-Martinez, J.2
Santillan-Jimenez, E.3
Weckhuysen, B.M.4
-
15
-
-
84898080857
-
Highly Efficient Metal Sulfide Catalysts for Selective Dehydrogenation of Isobutane to Isobutene
-
Wang, G.; Li, C.; Shan, H. Highly Efficient Metal Sulfide Catalysts for Selective Dehydrogenation of Isobutane to Isobutene ACS Catal. 2014, 4 (4) 1139-1143 10.1021/cs5000944
-
(2014)
ACS Catal.
, vol.4
, Issue.4
, pp. 1139-1143
-
-
Wang, G.1
Li, C.2
Shan, H.3
-
16
-
-
79961026034
-
C-H Bond Activation of Methane on Clean and Oxygen Pre-Covered Metals: A Systematic Theoretical Study
-
Xing, B.; Pang, X.-Y.; Wang, G.-C. C-H Bond Activation of Methane on Clean and Oxygen Pre-Covered Metals: a Systematic Theoretical Study J. Catal. 2011, 282 (1) 74-82 10.1016/j.jcat.2011.05.027
-
(2011)
J. Catal.
, vol.282
, Issue.1
, pp. 74-82
-
-
Xing, B.1
Pang, X.-Y.2
Wang, G.-C.3
-
17
-
-
33646152410
-
Study of High Coverages of Atomic Oxygen on the Pt(111) Surface
-
Parker, D. H.; Bartram, M. E.; Koel, B. E. Study of High Coverages of Atomic Oxygen on the Pt(111) Surface Surf. Sci. 1989, 217 (3) 489-510 10.1016/0039-6028(89)90443-3
-
(1989)
Surf. Sci.
, vol.217
, Issue.3
, pp. 489-510
-
-
Parker, D.H.1
Bartram, M.E.2
Koel, B.E.3
-
18
-
-
81355123442
-
Universal Transition State Scaling Relations for (De)Hydrogenation over Transition Metals
-
Wang, S.; Petzold, V.; Tripkovic, V.; Kleis, J.; Howalt, J. G.; Skúlason, E.; Fernández, E. M.; Hvolbaek, B.; Jones, G.; Toftelund, A.; Falsig, H.; Björketun, M. E.; Studt, F.; Abild-Pedersen, F.; Rossmeisl, J.; Nørskov, J. K.; Bligaard, T. Universal Transition State Scaling Relations for (De)Hydrogenation Over Transition Metals Phys. Chem. Chem. Phys. 2011, 13 (46) 20760-20765 10.1039/c1cp20547a
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, Issue.46
, pp. 20760-20765
-
-
Wang, S.1
Petzold, V.2
Tripkovic, V.3
Kleis, J.4
Howalt, J.G.5
Skúlason, E.6
Fernández, E.M.7
Hvolbaek, B.8
Jones, G.9
Toftelund, A.10
Falsig, H.11
Björketun, M.E.12
Studt, F.13
Abild-Pedersen, F.14
Rossmeisl, J.15
Nørskov, J.K.16
Bligaard, T.17
-
19
-
-
27144520483
-
Catalysis: Gold Rush
-
Haruta, M. Catalysis: Gold Rush Nature 2005, 437 (7062) 1098-1099 10.1038/4371098a
-
(2005)
Nature
, vol.437
, Issue.7062
, pp. 1098-1099
-
-
Haruta, M.1
-
20
-
-
34948904946
-
Gold Catalysts: Towards Sustainable Chemistry
-
Ishida, T.; Haruta, M. Gold Catalysts: Towards Sustainable Chemistry Angew. Chem., Int. Ed. 2007, 46 (38) 7154-7156 10.1002/anie.200701622
-
(2007)
Angew. Chem., Int. Ed.
, vol.46
, Issue.38
, pp. 7154-7156
-
-
Ishida, T.1
Haruta, M.2
-
21
-
-
27144547980
-
Tunable Gold Catalysts for Selective Hydrocarbon Oxidation under Mild Conditions
-
Hughes, M. D.; Xu, Y.-J.; Jenkins, P.; McMorn, P.; Landon, P.; Enache, D. I.; Carley, A. F.; Attard, G. A.; Hutchings, G. J.; King, F.; Stitt, E. H.; Johnston, P.; Griffin, K.; Kiely, C. J. Tunable Gold Catalysts for Selective Hydrocarbon Oxidation Under Mild Conditions Nature 2005, 437 (7062) 1132-1135 10.1038/nature04190
-
(2005)
Nature
, vol.437
, Issue.7062
, pp. 1132-1135
-
-
Hughes, M.D.1
Xu, Y.-J.2
Jenkins, P.3
McMorn, P.4
Landon, P.5
Enache, D.I.6
Carley, A.F.7
Attard, G.A.8
Hutchings, G.J.9
King, F.10
Stitt, E.H.11
Johnston, P.12
Griffin, K.13
Kiely, C.J.14
-
22
-
-
0029512476
-
Electronic Factors Determining the Reactivity of Metal Surfaces
-
Hammer, B.; Nørskov, J. K. Electronic Factors Determining the Reactivity of Metal Surfaces Surf. Sci. 1995, 343 (3) 211-220 10.1016/0039-6028(96)80007-0
-
(1995)
Surf. Sci.
, vol.343
, Issue.3
, pp. 211-220
-
-
Hammer, B.1
Nørskov, J.K.2
-
23
-
-
4143079428
-
Why Gold Is the Noblest of All the Metals
-
Hammer, B.; Norskov, J. K. Why Gold Is the Noblest of All the Metals Nature 1995, 376 (6537) 238-240 10.1038/376238a0
-
(1995)
Nature
, vol.376
, Issue.6537
, pp. 238-240
-
-
Hammer, B.1
Norskov, J.K.2
-
24
-
-
79551619814
-
Density Functional Theory in Surface Chemistry and Catalysis
-
Nørskov, J. K.; Abild-Pedersen, F.; Studt, F.; Bligaard, T. Density Functional Theory in Surface Chemistry and Catalysis Proc. Natl. Acad. Sci. U. S. A. 2011, 108 (3) 937-943 10.1073/pnas.1006652108
-
(2011)
Proc. Natl. Acad. Sci. U. S. A.
, vol.108
, Issue.3
, pp. 937-943
-
-
Nørskov, J.K.1
Abild-Pedersen, F.2
Studt, F.3
Bligaard, T.4
-
25
-
-
34547263439
-
Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces
-
Abild-Pedersen, F.; Greeley, J.; Studt, F.; Rossmeisl, J.; Munter, T. R.; Moses, P. G.; Skúlason, E.; Bligaard, T.; Nørskov, J. K. Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces Phys. Rev. Lett. 2007, 99 (1) 016105 10.1103/PhysRevLett.99.016105
-
(2007)
Phys. Rev. Lett.
, vol.99
, Issue.1
, pp. 016105
-
-
Abild-Pedersen, F.1
Greeley, J.2
Studt, F.3
Rossmeisl, J.4
Munter, T.R.5
Moses, P.G.6
Skúlason, E.7
Bligaard, T.8
Nørskov, J.K.9
-
26
-
-
84863308434
-
Density Functionals for Surface Science: Exchange-Correlation Model Development with Bayesian Error Estimation
-
Wellendorff, J.; Lundgaard, K. T.; Møgelhøj, A.; Petzold, V.; Landis, D. D.; Nørskov, J. K.; Bligaard, T.; Jacobsen, K. W. Density Functionals for Surface Science: Exchange-Correlation Model Development with Bayesian Error Estimation Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 85 (23) 235149 10.1103/PhysRevB.85.235149
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.85
, Issue.23
, pp. 235149
-
-
Wellendorff, 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
-
27
-
-
84904094415
-
Assessing the Reliability of Calculated Catalytic Ammonia Synthesis Rates
-
Medford, A. J.; Wellendorff, J.; Vojvodic, A.; Studt, F.; Abild-Pedersen, F.; Jacobsen, K. W.; Bligaard, T.; Norskov, J. K. Assessing the Reliability of Calculated Catalytic Ammonia Synthesis Rates Science 2014, 345 (6193) 197-200 10.1126/science.1253486
-
(2014)
Science
, vol.345
, Issue.6193
, pp. 197-200
-
-
Medford, A.J.1
Wellendorff, J.2
Vojvodic, A.3
Studt, F.4
Abild-Pedersen, F.5
Jacobsen, K.W.6
Bligaard, T.7
Norskov, J.K.8
-
28
-
-
80054899737
-
Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces
-
Jones, G.; Studt, F.; Abild-Pedersen, F.; Nørskov, J. K.; Bligaard, T. Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces Chem. Eng. Sci. 2011, 66 (24) 6318-6323 10.1016/j.ces.2011.02.050
-
(2011)
Chem. Eng. Sci.
, vol.66
, Issue.24
, pp. 6318-6323
-
-
Jones, G.1
Studt, F.2
Abild-Pedersen, F.3
Nørskov, J.K.4
Bligaard, T.5
-
29
-
-
4644265529
-
Improved Adsorption Energetics Within Density-Functional Theory Using Revised Perdew-Burke-Ernzerhof Functionals
-
Hammer, B.; Hansen, L. B.; Nørskov, J. K. Improved Adsorption Energetics Within Density-Functional Theory Using Revised Perdew-Burke-Ernzerhof Functionals Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 7413 10.1103/PhysRevB.59.7413
-
(1999)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.59
, pp. 7413
-
-
Hammer, B.1
Hansen, L.B.2
Nørskov, J.K.3
-
30
-
-
79951951181
-
Universal Brønsted-Evans-Polanyi Relations for C-C, C-O, C-N, N-O, N-N, and O-O Dissociation Reactions
-
Wang, S.; Temel, B.; Shen, J.; Jones, G.; Grabow, L. C.; Studt, F.; Bligaard, T.; Abild-Pedersen, F.; Christensen, C. H.; Nørskov, J. K. Universal Brønsted-Evans-Polanyi Relations for C-C, C-O, C-N, N-O, N-N, and O-O Dissociation Reactions Catal. Lett. 2011, 141 (3) 370-373 10.1007/s10562-010-0477-y
-
(2011)
Catal. Lett.
, vol.141
, Issue.3
, pp. 370-373
-
-
Wang, S.1
Temel, B.2
Shen, J.3
Jones, G.4
Grabow, L.C.5
Studt, F.6
Bligaard, T.7
Abild-Pedersen, F.8
Christensen, C.H.9
Nørskov, J.K.10
-
31
-
-
43049099013
-
Using Scaling Relations to Understand Trends in the Catalytic Activity of Transition Metals
-
Jones, G.; Bligaard, T.; Abild-Pedersen, F.; Nørskov, J. K. Using Scaling Relations to Understand Trends in the Catalytic Activity of Transition Metals J. Phys.: Condens. Matter 2008, 20 (6) 064239 10.1088/0953-8984/20/6/064239
-
(2008)
J. Phys.: Condens. Matter
, vol.20
, Issue.6
, pp. 064239
-
-
Jones, G.1
Bligaard, T.2
Abild-Pedersen, F.3
Nørskov, J.K.4
-
32
-
-
70349568754
-
QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials
-
Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I.; Dal Corso, A.; de Gironcoli, S.; Fabris, S.; Fratesi, G.; Gebauer, R.; Gerstmann, U.; Gougoussis, C.; Kokalj, A.; Lazzeri, M.; Martin-Samos, L.; Marzari, N.; Mauri, F.; Mazzarello, R.; Paolini, S.; Pasquarello, A.; Paulatto, L.; Sbraccia, C.; Scandolo, S.; Sclauzero, G.; Seitsonen, A. P.; Smogunov, A.; Umari, P.; Wentzcovitch, R. M. QUANTUM ESPRESSO: a Modular and Open-Source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21 (39) 395502 10.1088/0953-8984/21/39/395502
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, Issue.39
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
Dal Corso, A.11
De Gironcoli, S.12
Fabris, S.13
Fratesi, G.14
Gebauer, R.15
Gerstmann, U.16
Gougoussis, C.17
Kokalj, A.18
Lazzeri, M.19
Martin-Samos, L.20
Marzari, N.21
Mauri, F.22
Mazzarello, R.23
Paolini, S.24
Pasquarello, A.25
Paulatto, L.26
Sbraccia, C.27
Scandolo, S.28
Sclauzero, G.29
Seitsonen, A.P.30
Smogunov, A.31
Umari, P.32
Wentzcovitch, R.M.33
more..
|