-
1
-
-
0142052503
-
The chlorine industry
-
J. Fauvarque, The chlorine industry, Pure & Appl. Chem. 68 (1996) 1713-1720.
-
(1996)
Pure & Appl. Chem.
, vol.68
, pp. 1713-1720
-
-
Fauvarque, J.1
-
2
-
-
0001242724
-
Electrocatalysis: Understanding the success of DSA
-
S. Trasatti, Electrocatalysis: understanding the success of DSA, Electrochim. Acta 45 (2000) 2377-2385, doi:10.1016/S0013-4686(00)00338-8.
-
(2000)
Electrochim. Acta
, vol.45
, pp. 2377-2385
-
-
Trasatti, S.1
-
3
-
-
0022675141
-
Selectivity and electrochemical behavior of titanium-ruthenium oxide anodes containing different levels of ruthenium dioxide
-
N. Buné, V.V. Losev, M.F. Reznik, E. Zaripova, Selectivity and electrochemical behavior of titanium-ruthenium oxide anodes containing different levels of ruthenium dioxide, Sov. Electrochem. 22 (1986) 365-368.
-
(1986)
Sov. Electrochem.
, vol.22
, pp. 365-368
-
-
Buné, N.1
Losev, V.V.2
Reznik, M.F.3
Zaripova, E.4
-
4
-
-
0002355935
-
-
Part B, chap. 10, Elsevier scientific publishing company
-
S. Trasatti, G. Lodi, Electrodes of Conductive Metallic Oxides. Part B, chap. 10, Elsevier scientific publishing company, 1981, pp. 521-614.
-
(1981)
Electrodes of Conductive Metallic Oxides
, pp. 521-614
-
-
Trasatti, S.1
Lodi, G.2
-
5
-
-
0020843296
-
Electrocatalysis in the anodic evolution of oxygen and chlorine
-
S. Trasatti, Electrocatalysis in the anodic evolution of oxygen and chlorine, Electrochim. Acta 29 (1984) 1503-1512.
-
(1984)
Electrochim. Acta
, vol.29
, pp. 1503-1512
-
-
Trasatti, S.1
-
6
-
-
0023312541
-
Progress in the understanding of the mechanism of chlorine evolution at oxide electrodes
-
S. Trasatti, Progress in the understanding of the mechanism of chlorine evolution at oxide electrodes, Electrochim. Acta 32 (1987) 369-382, doi:16/0013-4686(87)85001-6.
-
(1987)
Electrochim. Acta
, vol.32
, pp. 369-382
-
-
Trasatti, S.1
-
7
-
-
70350425551
-
Electrooxidation of chloride systems. A review
-
L. Petkov, Electrooxidation of chloride systems. a review, Oxid. Commun. 32 (2009) 654-677.
-
(2009)
Oxid. Commun.
, vol.32
, pp. 654-677
-
-
Petkov, L.1
-
8
-
-
84859310737
-
Surface chemistry of ruthenium dioxide in heterogeneous catalysis and electrocatalysis: From fundamental to applied research
-
H. Over, Surface chemistry of ruthenium dioxide in heterogeneous catalysis and electrocatalysis: From fundamental to applied research, Chem. Rev. 112 (2012) 3356-3426, doi:10.1021/cr200247n.
-
(2012)
Chem. Rev.
, vol.112
, pp. 3356-3426
-
-
Over, H.1
-
9
-
-
84874935576
-
2-based catalysts: A comparative review
-
2-based catalysts: A comparative review, Electrochim. Acta 93 (2013) 314-333, doi:10.1016/j.electacta.2012.12.099.
-
(2013)
Electrochim. Acta
, vol.93
, pp. 314-333
-
-
Over, H.1
-
12
-
-
0031274554
-
Capacitive and kinetic characteristics of Ru-Ti oxide electrodes: Influence of variation in the Ru content
-
B. Tilak, C.-P. Chen, V. Birss, J. Wang, Capacitive and kinetic characteristics of Ru-Ti oxide electrodes: influence of variation in the Ru content, Can. J. Chem. 75 (1997) 1773-1782, doi:10.1139/v97-611.
-
(1997)
Can. J. Chem.
, vol.75
, pp. 1773-1782
-
-
Tilak, B.1
Chen, C.-P.2
Birss, V.3
Wang, J.4
-
13
-
-
33747088165
-
2 permanent anode
-
2 permanent anode, Electrochim. Acta 51 (2006) 6104-6110, doi:10.1016/j.electacta.2005.12.053.
-
(2006)
Electrochim. Acta
, vol.51
, pp. 6104-6110
-
-
Aromaa, J.1
Forsén, O.2
-
14
-
-
0032074715
-
2/Ti anodes by differential electrochemical mass spectroscopy
-
2/Ti anodes by differential electrochemical mass spectroscopy, J. Appl. Electrochem. 28 (1998) 511-516, doi:10.1023/A:1003269228566.
-
(1998)
J. Appl. Electrochem.
, vol.28
, pp. 511-516
-
-
Arikawa, T.1
Murakami, Y.2
Takasu, Y.3
-
15
-
-
72949112000
-
Electrochemical chlorine evolution at rutile oxide (110) surfaces
-
H.A. Hansen, I.C. Man, F. Studt, F. Abild-Pedersen, T. Bligaard, J. Rossmeisl, Electrochemical chlorine evolution at rutile oxide (110) surfaces, Phys. Chem. Chem. Phys. 12 (2010) 283-290, doi:10.1039/B917459A.
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 283-290
-
-
Hansen, H.A.1
Man, I.C.2
Studt, F.3
Abild-Pedersen, F.4
Bligaard, T.5
Rossmeisl, J.6
-
16
-
-
80051809046
-
Universality in oxygen evolution electrocatalysis on oxide surfaces
-
I.C. Man, H.-Y. Su, F. Calle-Vallejo, H.A. Hansen, J.I. Martínez, N.G. Inoglu, J. Kitchin, T.F. Jaramillo, J.K. Nørskov, J. Rossmeisl, Universality in oxygen evolution electrocatalysis on oxide surfaces, ChemCatChem 3 (2011) 1159-1165.
-
(2011)
ChemCatChem
, vol.3
, pp. 1159-1165
-
-
Man, I.C.1
Su, H.-Y.2
Calle-Vallejo, F.3
Hansen, H.A.4
Martínez, J.I.5
Inoglu, N.G.6
Kitchin, J.7
Jaramillo, T.F.8
Nørskov, J.K.9
Rossmeisl, J.10
-
17
-
-
84897602945
-
2(110): Ab initio atomistic thermodynamics study - Pourbaix diagrams
-
2(110): Ab initio atomistic thermodynamics study - pourbaix diagrams, Electrochim. Acta 120 (2013) 460-466, doi:10.1016/j.electacta.2013.11.027.
-
(2013)
Electrochim. Acta
, vol.120
, pp. 460-466
-
-
Exner, K.S.1
Anton, J.2
Jacob, T.3
Over, H.4
-
18
-
-
34547469024
-
Electrolysis of water on oxide surfaces
-
J. Rossmeisl, Z.-W. Qu, H. Zhu, G.-J. Kroes, J.K. Nørskov, Electrolysis of water on oxide surfaces, J. Electroanal. Chem. 607 (2007) 83-89, doi:10.1016/j.jelechem.2006.11.008.
-
(2007)
J. Electroanal. Chem.
, vol.607
, pp. 83-89
-
-
Rossmeisl, J.1
Qu, Z.-W.2
Zhu, H.3
Kroes, G.-J.4
Nørskov, J.K.5
-
19
-
-
0037233037
-
The surface science of titanium dioxide
-
U. Diebold, The surface science of titanium dioxide, Surf. Sci. Rep. 48 (2003) 53-229, doi:10.1016/S0167-5729(02)00100-0.
-
(2003)
Surf. Sci. Rep.
, vol.48
, pp. 53-229
-
-
Diebold, U.1
-
21
-
-
27744599818
-
Mechanism of chlorine evolution on oxide anodes study of pH effects
-
V. Consonni, S. Trasatti, F. Pollak, W. O'Grady, Mechanism of chlorine evolution on oxide anodes study of pH effects, J. Electroanal. Chem. 228 (1987) 393-406, doi:10.1016/0022-0728(87)80119-5.
-
(1987)
J. Electroanal. Chem.
, vol.228
, pp. 393-406
-
-
Consonni, V.1
Trasatti, S.2
Pollak, F.3
O'Grady, W.4
-
24
-
-
84870227296
-
Searching for active binary rutile oxide catalyst for water splitting from first principles
-
D. Chen, Y.-H. Fang, Z.-P. Liu, Searching for active binary rutile oxide catalyst for water splitting from first principles, Phys. Chem. Chem. Phys. 14 (2012) 16612-16617, doi:10.1039/c2cp42149f.
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 16612-16617
-
-
Chen, D.1
Fang, Y.-H.2
Liu, Z.-P.3
-
25
-
-
84878348144
-
2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study
-
2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study, J. Chem. Phys. 138 (2013) 194706, doi:10.1063/1.4803854.
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 194706
-
-
Novell-Leruth, G.1
Carchini, G.2
López, N.3
-
26
-
-
77953748283
-
Electronic structure calculations with GPAW: A real-space implementation of the projector augmented-wave method
-
J. Enkovaara, C. Rostgaard, J.J. Mortensen, J. Chen, M. Dułak, 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-Møller, M. Strange, G.A. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Häkkinen, G.K.H. Madsen, R.M. Nieminen, J.K. Nørskov, M. Puska, T.T. Rantala, J. Schiøtz, K.S. Thygesen, K.W. Jacobsen, Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method, J. Phys.: Condens. Matter 22 (2010) 253202, doi: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
Dułak, 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-Møller, J.22
Strange, M.23
Tritsaris, G.A.24
Vanin, M.25
Walter, M.26
Hammer, B.27
Häkkinen, 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..
-
27
-
-
0011644261
-
Effective core potential calculations on small molecules containing transition metal atoms
-
O. Gropen, U. Wahlgren, L. Pettersson, Effective core potential calculations on small molecules containing transition metal atoms, Chem. Phys. 66 (1982) 459-464, doi:10.1016/0301-0104(82)88047-6.
-
(1982)
Chem. Phys.
, vol.66
, pp. 459-464
-
-
Gropen, O.1
Wahlgren, U.2
Pettersson, L.3
-
28
-
-
48749144786
-
A study of the valence interaction integrals in effective core potential applications
-
L.G.M. Pettersson, A. Strömberg, A study of the valence interaction integrals in effective core potential applications, Chem. Phys. Lett. 99 (1983) 122-128, doi:10.1016/0009-2614(83)80543-0.
-
(1983)
Chem. Phys. Lett.
, vol.99
, pp. 122-128
-
-
Pettersson, L.G.M.1
Strömberg, A.2
-
29
-
-
84887463520
-
Error estimates for solid-state density-functional theory predictions: An overview by means of the ground-state elemental crystals
-
K. Lejaeghere, V. Van Speybroeck, G. Van Oost, S. Cottenier, Error estimates for solid-state density-functional theory predictions: An overview by means of the ground-state elemental crystals, Crit. Rev. Solid State Mater. Sci. 39 (2014) 1-24, doi:10.1080/10408436.2013.772503.
-
(2014)
Crit. Rev. Solid State Mater. Sci.
, vol.39
, pp. 1-24
-
-
Lejaeghere, K.1
Van Speybroeck, V.2
Van Oost, G.3
Cottenier, S.4
-
30
-
-
4644265529
-
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
-
B. Hammer, L.B. Hansen, J.K. Nørskov, Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals, Phys. Rev. B 59 (1999) 7413-7421, doi:10.1103/PhysRevB.59.7413.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 7413-7421
-
-
Hammer, B.1
Hansen, L.B.2
Nørskov, J.K.3
-
31
-
-
77953595060
-
Localized atomic basis set in the projector augmented wave method
-
A.H. Larsen, M. Vanin, J.J. Mortensen, K.S. Thygesen, K.W. Jacobsen, Localized atomic basis set in the projector augmented wave method, Phys. Rev. B 80 (2009) 195112, doi:10.1103/PhysRevB.80.195112.
-
(2009)
Phys. Rev. B
, vol.80
, pp. 195112
-
-
Larsen, A.H.1
Vanin, M.2
Mortensen, J.J.3
Thygesen, K.S.4
Jacobsen, K.W.5
-
32
-
-
27844583800
-
Die Konstitution der Mischkristalle und die Raumfüllung der Atome
-
L. Vegard, Die Konstitution der Mischkristalle und die Raumfüllung der Atome, Z. Phys. 5 (1921) 17-26, doi:10.1007/BF01349680c.
-
(1921)
Z. Phys.
, vol.5
, pp. 17-26
-
-
Vegard, L.1
-
33
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169-11186, doi:10.1103/PhysRevB.54.11169.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmüller, J.2
-
34
-
-
0001048838
-
Dipole correction for surface supercell calculations
-
L. Bengtsson, Dipole correction for surface supercell calculations, Phys. Rev. B 59 (1999) 12301-12304, doi:10.1103/PhysRevB.59.12301.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 12301-12304
-
-
Bengtsson, L.1
-
35
-
-
26144450583
-
Self-interaction correction to density-functional approximations for many-electron systems
-
J.P. Perdew, A. Zunger, Self-interaction correction to density-functional approximations for many-electron systems, Phys. Rev. B 23 (1981) 5048-5079, doi:10.1103/PhysRevB.23.5048.
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048-5079
-
-
Perdew, J.P.1
Zunger, A.2
-
36
-
-
24144463778
-
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
-
J.P. Perdew, A. Ruzsinszky, J. Tao, V.N. Staroverov, G.E. Scuseria, G.I. Csonka, Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits, J. Chem. Phys. 123 (2005) 062201, doi:10.1063/1.1904565.
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 062201
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Tao, J.3
Staroverov, V.N.4
Scuseria, G.E.5
Csonka, G.I.6
-
37
-
-
84908531333
-
-
K. Exner, personal communication (2014)
-
K. Exner, personal communication (2014).
-
-
-
-
38
-
-
84875750061
-
2-coated electrodes for the water oxidation reaction
-
2-coated electrodes for the water oxidation reaction, J. Phys. Chem. C 117 (2013) 6126-6135, doi:10.1021/jp308941g.
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 6126-6135
-
-
Näslund L.-A˚.1
Sánchez-Sánches, C.M.2
Ingason Á., S.3
Bäckström, J.4
Herrero, E.5
Rosen, J.6
Holmin, S.7
-
39
-
-
84866879044
-
2-catalysed HCl oxidation reveals the entropic origin of compensation in heterogeneous catalysis
-
2-catalysed HCl oxidation reveals the entropic origin of compensation in heterogeneous catalysis, Nat. Chem. 4 (2012) 739-745, doi:10.1038/nchem.1411.
-
(2012)
Nat. Chem.
, vol.4
, pp. 739-745
-
-
Teschner, D.1
Novell-Leruth, G.2
Farra, R.3
Knop-Gericke, A.4
Schlögl, R.5
Szentmiklósi, L.6
Hevia, M.G.7
Soerijanto, H.8
Schomäcker, R.9
Pérez-Ramírez, J.10
López, N.11
-
40
-
-
84905816486
-
The virtue of defects: Stable bromine production by catalytic oxidation of hydrogen bromide on titanium oxide
-
M. Moser, I. Czekaj, N. López, J. Pérez-Ramírez, The virtue of defects: Stable bromine production by catalytic oxidation of hydrogen bromide on titanium oxide, Angewandte Chemie International Edition 53 (2014) 8628-8633, doi:10.1002/anie.201404022.
-
(2014)
Angewandte Chemie International Edition
, vol.53
, pp. 8628-8633
-
-
Moser, M.1
Czekaj, I.2
López, N.3
Pérez-Ramírez, J.4
-
41
-
-
9744261716
-
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
-
J.K. Nørskov, J. Rossmeisl, A. Logadottir, L. Lindqvist, J.R. Kitchin, T. Bligaard, H. Jónsson, Origin of the overpotential for oxygen reduction at a fuel-cell cathode, J. Phys. Chem. B 108 (2004) 17886-17892, doi:10.1021/jp047349j.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 17886-17892
-
-
Nørskov, J.K.1
Rossmeisl, J.2
Logadottir, A.3
Lindqvist, L.4
Kitchin, J.R.5
Bligaard, T.6
Jónsson, H.7
-
42
-
-
30444440157
-
Elucidation of the electrochemical activation of water over Pd by first principles
-
J.-S. Filhol, M. Neurock, Elucidation of the electrochemical activation of water over Pd by first principles, Angew. Chem. Int. Ed. 45 (2006) 402-406, doi:10.1002/anie.200502540.
-
(2006)
Angew. Chem. Int. Ed.
, vol.45
, pp. 402-406
-
-
Filhol, J.-S.1
Neurock, M.2
-
43
-
-
0038536735
-
Universality in heterogeneous catalysis
-
J.K. Nørskov, T. Bligaard, A. Logadottir, S. Bahn, L. Hansen, M. Bollinger, H. Bengaard, B. Hammer, Z. Sljivancanin, M. Mavrikakis, Y. Xu, S. Dahl, C.J.H. Jacobsen, Universality in heterogeneous catalysis, J.Catal. 209 (2002) 275-278, doi:10.1006/jcat.2002.3615.
-
(2002)
J.Catal.
, vol.209
, pp. 275-278
-
-
Nørskov, J.K.1
Bligaard, T.2
Logadottir, A.3
Bahn, S.4
Hansen, L.5
Bollinger, M.6
Bengaard, H.7
Hammer, B.8
Sljivancanin, Z.9
Mavrikakis, M.10
Xu, Y.11
Dahl, S.12
Jacobsen, C.J.H.13
-
44
-
-
34250703763
-
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the pt(111) electrode
-
E. Skúlason, G.S. Karlberg, J. Rossmeisl, T. Bligaard, J. Greeley, H. Jónsson, J.K. Nørskov, Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the pt(111) electrode, Phys. Chem. Chem. Phys. 9 (2007) 3241, doi:10.1039/b700099e.
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 3241
-
-
Skúlason, E.1
Karlberg, G.S.2
Rossmeisl, J.3
Bligaard, T.4
Greeley, J.5
Jónsson, H.6
Nørskov, J.K.7
-
45
-
-
77958546357
-
Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations
-
E. Skúlason, V. Tripkovic, M.E. Björketun, S. Gudmundsdóttir, G. Karlberg, J. Rossmeisl, T. Bligaard, H. Jónsson, J.K. Nørskov, Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations, J. Phys. Chem. C 114 (2010) 18182-18197, doi:10.1021/jp1048887.
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 18182-18197
-
-
Skúlason, E.1
Tripkovic, V.2
Björketun, M.E.3
Gudmundsdóttir, S.4
Karlberg, G.5
Rossmeisl, J.6
Bligaard, T.7
Jónsson, H.8
Nørskov, J.K.9
|