-
2
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew J, Burke K, Ernzerhof M. 1996. Generalized gradient approximation made simple. Phys. Rev. Lett. 77:3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.1
Burke, K.2
Ernzerhof, M.3
-
3
-
-
0037799714
-
Hybrid functionals based on a screened Coulomb potential
-
Heyd J, Scuseria G, Ernzerhof M. 2003. Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 118:8207;
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207
-
-
Heyd, J.1
Scuseria, G.2
Ernzerhof, M.3
-
4
-
-
77951693711
-
-
Erratum 124:219906
-
Erratum
, vol.124
, pp. 219906
-
-
-
5
-
-
37249050372
-
Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections
-
Shishkin M, Marsman M, Kresse G. 2007. Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections. Phys. Rev. Lett. 99:246403
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 246403
-
-
Shishkin, M.1
Marsman, M.2
Kresse, G.3
-
6
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for met als and semiconductors using a plane-wave basis set
-
Kresse G, Furthmü ller J. 1996. Efficiency of ab-initio total energy calculations for met als and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6:15-50
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
7
-
-
0037233037
-
The surface science of titanium dioxide
-
Diebold U. 2003. The surface science of titanium dioxide. Surf. Sci. Rep. 48:53-229
-
(2003)
Surf. Sci. Rep.
, vol.48
, pp. 53-229
-
-
Diebold, U.1
-
8
-
-
34047152800
-
The chemistry and physics of zinc oxide surfaces
-
Wöll C. 2007. The chemistry and physics of zinc oxide surfaces. Prog. Surf. Sci. 82:55-120
-
(2007)
Prog. Surf. Sci.
, vol.82
, pp. 55-120
-
-
Wöll, C.1
-
9
-
-
27844602370
-
The surface and materials science of tin oxide
-
Batzill M, Diebold U. 2005. The surface and materials science of tin oxide. Prog. Surf. Sci. 79:47-154
-
(2005)
Prog. Surf. Sci.
, vol.79
, pp. 47-154
-
-
Batzill, M.1
Diebold, U.2
-
10
-
-
18244430368
-
Hydrogen as a cause of doping in zinc oxide
-
Van de Walle C. 2000. Hydrogen as a cause of doping in zinc oxide. Phys. Rev. Lett. 85:1012-1015
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 1012-1015
-
-
Van De Walle, C.1
-
12
-
-
0035831290
-
Nanobelts of semiconducting oxides
-
Pan Z, Dai Z, Wang Z. 2001. Nanobelts of semiconducting oxides. Science 291:1947-1949
-
(2001)
Science
, vol.291
, pp. 1947-1949
-
-
Pan, Z.1
Dai, Z.2
Wang, Z.3
-
14
-
-
36149043992
-
The stability of ionic crystal surfaces
-
Tasker P. 1979. The stability of ionic crystal surfaces. J. Phys. C 12:4977-4984
-
(1979)
J. Phys. C
, vol.12
, pp. 4977-4984
-
-
Tasker, P.1
-
17
-
-
0033691125
-
An ab initio study of ZnO(1010)
-
Wander A, Harrison N. 2000. An ab initio study of ZnO(1010). Surf. Sci. 457:L342-46
-
(2000)
Surf. Sci.
, vol.457
-
-
Wander, A.1
Harrison, N.2
-
18
-
-
11144295608
-
Partial dissociation of water leads to stable superstructures on the surface of zinc oxide
-
Meyer B, Marx D, Dulub O, Diebold U, Kunat M, et al. 2004. Partial dissociation of water leads to stable superstructures on the surface of zinc oxide. Angew. Chem. Int. Ed. Engl. 43:6641-6645
-
(2004)
Angew. Chem. Int. Ed. Engl.
, vol.43
, pp. 6641-6645
-
-
Meyer, B.1
Marx, D.2
Dulub, O.3
Diebold, U.4
Kunat, M.5
-
19
-
-
33845798782
-
Crystallographic polarity of ZnO crystals
-
Mariano A, Hanneman R. 1963. Crystallographic polarity of ZnO crystals. J. Appl. Phys. 34:384-388
-
(1963)
J. Appl. Phys.
, vol.34
, pp. 384-388
-
-
Mariano, A.1
Hanneman, R.2
-
20
-
-
0037428548
-
Novel stabilization mechanism on polar surfaces: ZnO(0001)-Zn
-
Dulub O, Diebold U, Kresse G. 2003. Novel stabilization mechanism on polar surfaces: ZnO(0001)-Zn. Phys. Rev. Lett. 90:016102
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 016102
-
-
Dulub, O.1
Diebold, U.2
Kresse, G.3
-
21
-
-
1042276607
-
Competing stabilization mechanism for the polar ZnO(0001)-Zn surface
-
Kresse G, Dulub O, Diebold U. 2003. Competing stabilization mechanism for the polar ZnO(0001)-Zn surface. Phys. Rev. B 68:245409
-
(2003)
Phys. Rev. B
, vol.68
, pp. 245409
-
-
Kresse, G.1
Dulub, O.2
Diebold, U.3
-
22
-
-
0038642149
-
Stabilization of polar ZnO surfaces: Validating microscopic models by using CO as a probe molecule
-
Staemmler V, Fink K, Meyer B, Marx D, Kunat M, et al. 2003. Stabilization of polar ZnO surfaces: validating microscopic models by using CO as a probe molecule. Phys. Rev. Lett. 90:106102
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 106102
-
-
Staemmler, V.1
Fink, K.2
Meyer, B.3
Marx, D.4
Kunat, M.5
-
23
-
-
4344696654
-
ZnO(0001)-O surface structure: Hydrogen-free (1× 1) termination
-
Lindsay R,Muryn C,Michelangeli E, ThorntonG. 2004. ZnO(0001)-O surface structure: hydrogen-free (1× 1) termination. Surf. Sci. 565:283-287
-
(2004)
Surf. Sci.
, vol.565
, pp. 283-287
-
-
Lindsay, R.1
Muryn, C.2
Michelangeli, E.3
Thornton, G.4
-
24
-
-
34547255508
-
Prediction of uncompensated polarity in ultrathin films
-
Goniakowski J, Noguera C, Giordano L. 2001. Prediction of uncompensated polarity in ultrathin films. Phys. Rev. Lett. 98:205701
-
(2001)
Phys. Rev. Lett.
, vol.98
, pp. 205701
-
-
Goniakowski, J.1
Noguera, C.2
Giordano, L.3
-
25
-
-
34547193740
-
Observation of depolarized ZnO(0001) monolayers: Formation of unreconstructed planar sheets
-
Tusche C, Meyerheim H, Kirschner J. 2007. Observation of depolarized ZnO(0001) monolayers: formation of unreconstructed planar sheets. Phys. Rev. Lett. 99:026102
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 026102
-
-
Tusche, C.1
Meyerheim, H.2
Kirschner, J.3
-
26
-
-
0037058322
-
STM study of the geometric and electronic structure of ZnO(0001)-Zn, 0001)-O, (1010), and (1120) surfaces
-
Dulub O, Boatner LA, Diebold U. 2002. STM study of the geometric and electronic structure of ZnO(0001)-Zn, (0001)-O, (1010), and (1120) surfaces. Surf. Sci. 519:201-217
-
(2002)
Surf. Sci.
, vol.519
, pp. 201-217
-
-
Dulub, O.1
Boatner, L.A.2
Diebold, U.3
-
27
-
-
65549124670
-
A comparison of the reactivity of Pd̄ supported on ZnO (1010) and ZnO (0001)
-
Hyman MP, Lebarbier VM, Wang Y, Datye AK, Vohs JM. 2009. A comparison of the reactivity of Pd̄ supported on ZnO (1010) and ZnO (0001). J. Phys. Chem. C 113:7251-7519
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 7251-7519
-
-
Hyman, M.P.1
Lebarbier, V.M.2
Wang, Y.3
Datye, A.K.4
Vohs, J.M.5
-
30
-
-
0000458041
-
Size and support dependency in the catalysis of gold
-
Haruta M. 1997. Size and support dependency in the catalysis of gold. Catal. Today 36:153-166
-
(1997)
Catal. Today
, vol.36
, pp. 153-166
-
-
Haruta, M.1
-
34
-
-
0037101191
-
2(110) during reoxidation using time-resolved scanning tunneling microscopy
-
2(110) during reoxidation using time-resolved scanning tunneling microscopy. Phys. Rev. B 66:035409
-
(2002)
Phys. Rev. B
, vol.66
, pp. 035409
-
-
Smith, R.1
Bennett, R.2
Bowker, M.3
-
43
-
-
0030172935
-
2(110): The extent of molecular versus dissociative adsorption
-
2(110): the extent of molecular versus dissociative adsorption. Surf. Sci. 355:151-166
-
(1996)
Surf. Sci.
, vol.355
, pp. 151-166
-
-
Henderson, M.A.1
-
47
-
-
77951694728
-
-
doi: 10. 1126/science. 1078962
-
Erratum, doi: 10. 1126/science. 1078962
-
Erratum
-
-
-
49
-
-
0000533799
-
Valence-band structure of TiO2 along the T-A-X and T-E-M directions
-
Hardman P, Raikar G, Muryn C, Van Der Laan G, Wincott P, et al. 1994. Valence-band structure of TiO2 along the T-A-X and T-E-M directions. Phys. Rev. B 49:7170-7177
-
(1994)
Phys. Rev. B
, vol.49
, pp. 7170-7177
-
-
Hardman, P.1
Raikar, G.2
Muryn, C.3
Van Der Laan, G.4
Wincott, P.5
-
50
-
-
0000259729
-
Resonant electron emission in Ti and TiO2
-
Bertel E, Stockbauer R, Madey T. 1983. Resonant electron emission in Ti and TiO2. Phys. Rev. B 27:1939-1942
-
(1983)
Phys. Rev. B
, vol.27
, pp. 1939-1942
-
-
Bertel, E.1
Stockbauer, R.2
Madey, T.3
-
51
-
-
46449090235
-
The role of interstitial sites in the Ti3 d defect state in the band gap of titania
-
Wendt S, SprungerP, Lira E, Madsen G, Li Z, et al. 2008. The role of interstitial sites in the Ti3 d defect state in the band gap of titania. Science 320:1755-1759
-
(2008)
Science
, vol.320
, pp. 1755-1759
-
-
Wendt, S.1
Sprungerp Lira, E.2
Madsen, G.3
Li, Z.4
-
52
-
-
40049102141
-
Defect states at the TiO2(110) surface probed by resonant photoelectron diffraction
-
Kruger P, Bourgeois S, Domenichini B, Magnan H, Chandesris D, et al. 2008. Defect states at the TiO2(110) surface probed by resonant photoelectron diffraction. Phys. Rev. Lett. 100:055501
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 055501
-
-
Kruger, P.1
Bourgeois, S.2
Domenichini, B.3
Magnan, H.4
Chandesris, D.5
-
53
-
-
4644265529
-
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
-
Hammer B, Hansen L, Nørskov J. 1999. Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. Phys. Rev. B 59:7413-7421
-
(1999)
Phys. Rev. B
, vol.59
, pp. 7413-7421
-
-
Hammer, B.1
Hansen, L.2
Nørskov, J.3
-
54
-
-
34249815219
-
Oxygen vacancies in transition met al and rare earth oxides: Current state of understanding and remaining challenges
-
Ganduglia-Pirovano M, Hofmann A, SauerJ. 2007. Oxygen vacancies in transition met al and rare earth oxides: current state of understanding and remaining challenges. Surf. Sci. Rep. 62:219-270
-
(2007)
Surf. Sci. Rep.
, vol.62
, pp. 219-270
-
-
Ganduglia-Pirovano, M.1
Hofmann, A.2
Sauer, J.3
-
55
-
-
33750149443
-
Electronic structure of defect states in hydroxylated and reduced rutile TiO2(110) surfaces
-
Di Valentin C, Pacchioni G, Selloni A. 2006. Electronic structure of defect states in hydroxylated and reduced rutile TiO2(110) surfaces. Phys. Rev. Lett. 97:166803
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 166803
-
-
Di Valentin, C.1
Pacchioni, G.2
Selloni, A.3
-
56
-
-
0033521418
-
A surface perspective on self-diffusion in rutile TiO2
-
Henderson M. 1999. A surface perspective on self-diffusion in rutile TiO2. Surf. Sci. 419:174-187
-
(1999)
Surf. Sci.
, vol.419
, pp. 174-187
-
-
Henderson, M.1
-
57
-
-
0036608895
-
Formic acid adsorption and decomposition on TiO2(110) and on Pd/TiO2(110) model catalysts
-
Bowker M, Stone P, Bennett R, Perkins N. 2002. Formic acid adsorption and decomposition on TiO2(110) and on Pd/TiO2(110) model catalysts. Surf. Sci. 511:435-448
-
(2002)
Surf. Sci.
, vol.511
, pp. 435-448
-
-
Bowker, M.1
Stone, P.2
Bennett, R.3
Perkins, N.4
-
58
-
-
55149098517
-
Geometric structure of TiO2(011)-(2x1)
-
Torrelles X, Cabailh G, Lindsay R, Bikondoa O, Roy J, et al. 2008. Geometric structure of TiO2(011)-(2x1). Phys. Rev. Lett. 101:185501
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 185501
-
-
Torrelles, X.1
Cabailh, G.2
Lindsay, R.3
Bikondoa, O.4
Roy, J.5
-
59
-
-
58049189132
-
The 2 x 1 reconstruction of the rutile TiO2(011) surface: A combined density functional theory, X-ray diffraction, and scanning tunneling microscopy study
-
GongX, KhorshidiN, Stierle A, VonkV, Ellinger C, et al. 2009. The 2 x 1 reconstruction of the rutile TiO2(011) surface: a combined density functional theory, X-ray diffraction, and scanning tunneling microscopy study. Surf. Sci. 603:138-144
-
(2009)
Surf. Sci.
, vol.603
, pp. 138-144
-
-
Khorshidin, G.1
Stierle, A.2
Vonkv Ellinger, C.3
-
60
-
-
33749066530
-
Structure defects, and impurities at the rutile TiO2(011)-(2x1) surface: A scanning tunneling microscopy study
-
Dulub O, Valentin C, Selloni A, Diebold U. 2006. Structure, defects, and impurities at the rutile TiO2(011)-(2x1) surface: a scanning tunneling microscopy study. Surf. Sci. 600:4407-4417
-
(2006)
Surf. Sci.
, vol.600
, pp. 4407-4417
-
-
Dulub, O.1
Valentin, C.2
Selloni, A.3
Diebold, U.4
-
61
-
-
67650738983
-
Nucleation and growth of 1D water clusters on rutile TiO2(011)-(2x1)
-
He Y, Li WK, Gong XQ, Dulub O, Selloni A. 2009. Nucleation and growth of 1D water clusters on rutile TiO2(011)-(2x1). J. Phys. Chem. C 13:10329-10332
-
(2009)
J. Phys. Chem. C
, vol.13
, pp. 10329-10332
-
-
He, Y.1
Li, W.K.2
Gong, X.Q.3
Dulub, O.4
Selloni, A.5
-
62
-
-
34548257792
-
Electron-induced oxygen desorp-tion from the TiO2(011)-(2x1) surface leads to self-organized vacancies
-
Dulub O, Batzill M, Solovev S, Loginova E, Alchagirov A, et al. 2007. Electron-induced oxygen desorp-tion from the TiO2(011)-(2x1) surface leads to self-organized vacancies. Science 317:1052-1056
-
(2007)
Science
, vol.317
, pp. 1052-1056
-
-
Dulub, O.1
Batzill, M.2
Solovev, S.3
Loginova, E.4
Alchagirov, A.5
-
63
-
-
0141953692
-
One step towards bridging the materials gap: Surface studies of TiO2 anatase
-
Diebold U, Ruzycki N, Herman GS, Selloni A. 2003. One step towards bridging the materials gap: surface studies of TiO2 anatase. Catal. Today 85:93-100
-
(2003)
Catal. Today
, vol.85
, pp. 93-100
-
-
Diebold, U.1
Ruzycki, N.2
Herman, G.S.3
Selloni, A.4
-
64
-
-
63649103050
-
Evidence for the predominance of subsurface defects on TO2 anatase (101)
-
He Y, Dulub O, Cheng H, Selloni A, Diebold U. 2009. Evidence for the predominance of subsurface defects on TO2 anatase (101). Phys. Rev. Lett. 102:106105
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 106105
-
-
He, Y.1
Dulub, O.2
Cheng, H.3
Selloni, A.4
Diebold, U.5
-
65
-
-
68849090475
-
Surface and subsurface oxygen vacancies in anatase TO2 and differences with rutile
-
Cheng H, Selloni A. 2009. Surface and subsurface oxygen vacancies in anatase TO2 and differences with rutile. Phys. Rev. B 79:092101
-
(2009)
Phys. Rev. B
, vol.79
, pp. 092101
-
-
Cheng, H.1
Selloni, A.2
-
66
-
-
67649482355
-
Local ordering and electronic signatures of submonolayer water on anatase TiO2(101)
-
He Y, Tilocca A, Dulub O, Selloni A, Diebold U. 2009. Local ordering and electronic signatures of submonolayer water on anatase TiO2(101). Nat. Mater. 8:585-589
-
(2009)
Nat. Mater.
, vol.8
, pp. 585-589
-
-
He, Y.1
Tilocca, A.2
Dulub, O.3
Selloni, A.4
Diebold, U.5
-
67
-
-
0038344739
-
Model catalysts: From imagining to imaging a working surface
-
Goodman DW. 2003. Model catalysts: from imagining to imaging a working surface. J. Catal. 216:213-222
-
(2003)
J. Catal.
, vol.216
, pp. 213-222
-
-
Goodman, D.W.1
-
68
-
-
0000750583
-
Synthesis and characterization of ultra-thin MgO films on Mo (100)
-
WuM, Corneille J, Estrada C, He J, Goodman DW. 1991. Synthesis and characterization of ultra-thin MgO films on Mo (100). Chem. Phys. Lett. 182:472-478
-
(1991)
Chem. Phys. Lett.
, vol.182
, pp. 472-478
-
-
Wum Corneille, J.1
Estrada, C.2
He, J.3
Goodman, D.W.4
-
69
-
-
33847622629
-
Control of the charge state of met al atoms on thin MgO films
-
SterrerM, Risse T, Martinez Pozzoni U, Giordano L, Heyde M, et al. 2007. Control of the charge state of met al atoms on thin MgO films. Phys. Rev. Lett. 98:096107
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 096107
-
-
Sterrer, M.1
Risse, T.2
Martinez Pozzoni, U.3
Giordano, L.4
Heyde, M.5
-
70
-
-
27144511145
-
Atomic structure of a thin silica film on aMo(112) substrate: A two-dimensional network of SiO4 tetrahedra
-
Weissenrieder J, Kaya S, Lu J, Gao H, Shaikhutdinov S, et al. 2005. Atomic structure of a thin silica film on aMo(112) substrate: a two-dimensional network of SiO4 tetrahedra. Phys. Rev. Lett. 95:165414
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 165414
-
-
Weissenrieder, J.1
Kaya, S.2
Lu, J.3
Gao, H.4
Shaikhutdinov, S.5
-
71
-
-
0036499428
-
Surface chemistry and catalysis on well-defined epitaxial iron-oxide layers
-
Weiss W, Ranke W. 2002. Surface chemistry and catalysis on well-defined epitaxial iron-oxide layers. Prog. Surf. Sci. 70:1-151
-
(2002)
Prog. Surf. Sci.
, vol.70
, pp. 1-151
-
-
Weiss, W.1
Ranke, W.2
-
72
-
-
61349104702
-
Ultrathin TiO2 films on (1 x 2)-Pt(110): A LEED, photoemission, STM, and theoretical investigation
-
Agnoli S, Orzali T, Sambi M, Vttadini A, Casarin M, Granozzi G 2008. Ultrathin TiO2 films on (1 x 2)-Pt(110): a LEED, photoemission, STM, and theoretical investigation. J. Phys. Chem. C 112:20038-20049
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 20038-20049
-
-
Agnoli, S.1
Orzali, T.2
Sambi, M.3
Vttadini, A.4
Casarin, M.5
Granozzi, G.6
-
74
-
-
33644787379
-
Reactions on inverse model catalyst surfaces: Atomic views by STM
-
Schoiswohl J, Surnev S, Netzer F. 2005. Reactions on inverse model catalyst surfaces: atomic views by STM. Top. Catal. 36:91-105
-
(2005)
Top. Catal.
, vol.36
, pp. 91-105
-
-
Schoiswohl, J.1
Surnev, S.2
Netzer, F.3
-
75
-
-
18344406437
-
Planar vanadium oxide clusters: Two-dimensional evaporation and diffusion on Rh(111)
-
Schoiswohl J, Kresse G, Surnev S, SockM, Ramsey M, Netzer F. 2004. Planar vanadium oxide clusters: two-dimensional evaporation and diffusion on Rh(111). Phys. Rev. Lett. 92:206103
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 206103
-
-
Schoiswohl, J.1
Kresse, G.2
Surnev, S.3
Sockm Ramsey, M.4
Netzer, F.5
-
76
-
-
46949107968
-
Coexistence of rocksalt and wurtzite structure in nanosized CoO films
-
Meyer W, Hock D, Biedermann K, Gubo M, Müller S, et al. 2008. Coexistence of rocksalt and wurtzite structure in nanosized CoO films. Phys. Rev. Lett. 101:016103
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 016103
-
-
Meyer, W.1
Hock, D.2
Biedermann, K.3
Gubo, M.4
Müller, S.5
-
77
-
-
52649114343
-
Oxide ultra-thin films on met als: New materials for the design of supported met al catalysts
-
Freund H, Pacchioni G. 2008. Oxide ultra-thin films on met als: new materials for the design of supported met al catalysts. Chem. Soc. Rev. 37:2224-2242
-
(2008)
Chem. Soc. Rev.
, vol.37
, pp. 2224-2242
-
-
Freund, H.1
Pacchioni, G.2
-
78
-
-
24544443767
-
Catalysis and surface science: What do we learn from studies of oxide-supported cluster model systems?
-
Freund H, Bäumer M, Kuhlenbeck H. 2000. Catalysis and surface science: What do we learn from studies of oxide-supported cluster model systems? Adv. Catal. 45:333-384
-
(2000)
Adv Catal.
, vol.45
, pp. 333-384
-
-
Freund, H.1
Bäumer, M.2
Kuhlenbeck, H.3
-
80
-
-
33745685795
-
2 chargingonmet al supported MgO
-
2 chargingonmet al supported MgO. J. Phys. Chem. B110:11977-11981
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 11977-11981
-
-
Grønbeck, H.1
-
81
-
-
0032592977
-
Met al deposits on well-ordered oxide films
-
Bäumer M, Freund H. 1999. Met al deposits on well-ordered oxide films. Prog. Surf. Sci. 61:127-198
-
(1999)
Prog. Surf. Sci.
, vol.61
, pp. 127-198
-
-
Bäumer, M.1
Freund, H.2
-
82
-
-
0000745394
-
Interaction of oxygen with Al(111) at elevated temperatures
-
Trost J, Brune H, Wintterlin J, Behm R, Ertl G. 1998. Interaction of oxygen with Al(111) at elevated temperatures. J. Chem. Phys. 108:1740-1747
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1740-1747
-
-
Trost, J.1
Brune, H.2
Wintterlin, J.3
Behm, R.4
Ertl, G.5
-
83
-
-
0026414571
-
Formation of a well-ordered aluminium oxide overlayer by oxidation of NiAl(110)
-
Jaeger R, Kuhlenbeck H, Freund H, Wuttig M, Hoffmann W, et al. 1991. Formation of a well-ordered aluminium oxide overlayer by oxidation of NiAl(110). Surf. Sci. 259:235-252
-
(1991)
Surf. Sci.
, vol.259
, pp. 235-252
-
-
Jaeger, R.1
Kuhlenbeck, H.2
Freund, H.3
Wuttig, M.4
Hoffmann, W.5
-
84
-
-
0028515980
-
Structure and defects of an ordered alumina film on NiAl(110)
-
Libuda J, Winkelmann F, Bäumer M, Freund H, Bertrams T, et al. 1994. Structure and defects of an ordered alumina film on NiAl(110). Surf. Sci. 318:61-73
-
(1994)
Surf. Sci.
, vol.318
, pp. 61-73
-
-
Libuda, J.1
Winkelmann, F.2
Bäumer, M.3
Freund, H.4
Bertrams, T.5
-
85
-
-
20444392081
-
Structure of the ultrathin aluminum oxide film on NiAl(110)
-
Kresse G, Schmid M, Napetschnig E, Shishkin M, Köhler L, Varga P. 2005. Structure of the ultrathin aluminum oxide film on NiAl(110). Science 308:1440-1442
-
(2005)
Science
, vol.308
, pp. 1440-1442
-
-
Kresse, G.1
Schmid, M.2
Napetschnig, E.3
Shishkin, M.4
Köhler, L.5
Varga, P.6
-
86
-
-
0342810007
-
Met al-oxide interaction for met al clusters on a met al-supported thin alumina film
-
Andersson S, Brühwiler P, Sandell A, Frank M, Libuda J, et al. 1999. Met al-oxide interaction for met al clusters on a met al-supported thin alumina film. Surf. Sci. 422:964-970
-
(1999)
Surf. Sci.
, vol.422
, pp. 964-970
-
-
Andersson, S.1
Brühwiler, P.2
Sandell, A.3
Frank, M.4
Libuda, J.5
-
87
-
-
33746361822
-
Oxygen-deficient line defects in an ultrathin aluminum oxide film
-
Schmid M, Shishkin M, Kresse G, Napetschnig E, Varga P, et al. 2006. Oxygen-deficient line defects in an ultrathin aluminum oxide film. Phys. Rev. Lett. 97:046101
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 046101
-
-
Schmid, M.1
Shishkin, M.2
Kresse, G.3
Napetschnig, E.4
Varga, P.5
-
89
-
-
0006149533
-
Spillover in heterogeneous catalysis
-
Conner W Jr, Falconer J. 1995. Spillover in heterogeneous catalysis. Chem. Rev. 95:759-788
-
(1995)
Chem. Rev.
, vol.95
, pp. 759-788
-
-
Conner Jr., W.1
Falconer, J.2
-
90
-
-
0036533661
-
Interaction of oxygen with palladium deposited on a thin alumina film
-
Shaikhutdinov S, Heemeier M, Hoffmann J, Meusel I, Richter B, et al. 2002. Interaction of oxygen with palladium deposited on a thin alumina film. Surf. Sci. 501:270-281
-
(2002)
Surf. Sci.
, vol.501
, pp. 270-281
-
-
Shaikhutdinov, S.1
Heemeier, M.2
Hoffmann, J.3
Meusel, I.4
Richter, B.5
-
91
-
-
0026857371
-
3Al alloy: Structure and composition of the aluminum oxide overlayer studied by XPS, LEIS and LEED
-
3Al alloy: structure and composition of the aluminum oxide overlayer studied by XPS, LEIS and LEED. Surf. Sci. 268:87-97
-
(1992)
Surf. Sci.
, vol.268
, pp. 87-97
-
-
Bardi, U.1
Atrei, A.2
Rovida, G.3
-
94
-
-
43849092840
-
Ultrathin alumina film on Cu-9at%Al(111)
-
Napetschnig E, Schmid M, Varga P. 2008. Ultrathin alumina film on Cu-9at%Al(111). Surf. Sci. 602:1750-1756
-
(2008)
Surf. Sci.
, vol.602
, pp. 1750-1756
-
-
Napetschnig, E.1
Schmid, M.2
Varga, P.3
-
96
-
-
34447506657
-
Mind the gap! Spectroscopy of catalytically active phases
-
Rupprechter G, Weilach C. 2007. Mind the gap! Spectroscopy of catalytically active phases. Nano Today 2:20-29
-
(2007)
Nano Today
, vol.2
, pp. 20-29
-
-
Rupprechter, G.1
Weilach, C.2
-
97
-
-
1642274592
-
Alumina-supported vanadium nanoparticles: Structural characterization and CO adsorption properties
-
Magg N, Giorgi JB, Frank M, Immaraporn B, Schroeder T, et al. 2004. Alumina-supported vanadium nanoparticles: structural characterization and CO adsorption properties. J. Am. Chem. Soc. 126:3616-3626
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 3616-3626
-
-
Magg, N.1
Giorgi, J.B.2
Frank, M.3
Immaraporn, B.4
Schroeder, T.5
-
99
-
-
33745984575
-
Oxidation and thermal stability of nickel deposited on a thin alumina support
-
Winkler A, Borchert H, Al-Shamery K. 2006. Oxidation and thermal stability of nickel deposited on a thin alumina support. Surf. Sci. 600:3036-3044
-
(2006)
Surf. Sci.
, vol.600
, pp. 3036-3044
-
-
Winkler, A.1
Borchert, H.2
Al-Shamery, K.3
-
100
-
-
34447542557
-
Pd co and Co-Pd clusters on the ordered alumina film on NiAl (110): Contact angle, surface structure and composition
-
Napetschnig E, Schmid M, Varga P. 2007. Pd, Co and Co-Pd clusters on the ordered alumina film on NiAl (110): contact angle, surface structure and composition. Surf. Sci. 601:3233-3245
-
(2007)
Surf. Sci.
, vol.601
, pp. 3233-3245
-
-
Napetschnig, E.1
Schmid, M.2
Varga, P.3
-
102
-
-
0037158037
-
CO oxidation on Pt (110): Scanning tunneling microscopy inside a high-pressure flow reactor
-
Hendriksen B, Frenken J. 2002. CO oxidation on Pt (110): scanning tunneling microscopy inside a high-pressure flow reactor. Phys. Rev. Lett. 89:46101
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 46101
-
-
Hendriksen, B.1
Frenken, J.2
-
103
-
-
1342306773
-
Oscillatory CO oxidation on Pd (100) studied with in situ scanning tunneling microscopy
-
Hendriksen B, Bobaru S, Frenken J. 2004. Oscillatory CO oxidation on Pd (100) studied with in situ scanning tunneling microscopy. Surf. Sci. 552:229-242
-
(2004)
Surf. Sci.
, vol.552
, pp. 229-242
-
-
Hendriksen, B.1
Bobaru, S.2
Frenken, J.3
-
104
-
-
29144462652
-
Structure and reactivity of surface oxides on Pt(110) during catalytic CO oxidation
-
Ackermann M, Pedersen T, Hendriksen B, Robach O, Bobaru S, et al. 2005. Structure and reactivity of surface oxides on Pt(110) during catalytic CO oxidation. Phys. Rev. Lett. 95:255505
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 255505
-
-
Ackermann, M.1
Pedersen, T.2
Hendriksen, B.3
Robach, O.4
Bobaru, S.5
-
105
-
-
67650709485
-
Structure and catalytic reactivity of Rh oxides
-
Gustafson J, Westerström R, Resta A, Mikkelsen A, Andersen J, et al. 2009. Structure and catalytic reactivity of Rh oxides. Catal. Today 145:227-235
-
(2009)
Catal. Today
, vol.145
, pp. 227-235
-
-
Gustafson, J.1
Westerström, R.2
Resta, A.3
Mikkelsen, A.4
Andersen, J.5
-
106
-
-
42549094511
-
Structure and reactivity of a model catalyst alloy under realistic conditions
-
Westerström R, Wang J, Ackermann M, Gustafson J, Resta A, et al. 2008. Structure and reactivity of a model catalyst alloy under realistic conditions. J. Phys. C 20:184018
-
(2008)
J. Phys.
, vol.C20
, pp. 184018
-
-
Westerström, R.1
Wang, J.2
Ackermann, M.3
Gustafson, J.4
Resta, A.5
-
107
-
-
48449093118
-
Sensitivity of catalysis to surface structure: The example of CO oxidation on Rh under realistic conditions
-
Gustafson J, Westerström R, Mikkelsen A, Torrelles X, Balmes O, et al. 2008. Sensitivity of catalysis to surface structure: the example of CO oxidation on Rh under realistic conditions. Phys. Rev. B 78:045423
-
(2008)
Phys. Rev. B
, vol.78
, pp. 045423
-
-
Gustafson, J.1
Westerström, R.2
Mikkelsen, A.3
Torrelles, X.4
Balmes, O.5
-
108
-
-
61649126488
-
CO oxidation on Pt-group met als from ultrahigh vacuum to near atmospheric pressures. 1. Rhodium
-
Gao F, Cai Y, Gath KK, Wang Y, Chen M. 2008. CO oxidation on Pt-group met als from ultrahigh vacuum to near atmospheric pressures. 1. Rhodium. J. Phys. Chem. C 113:182-192
-
(2008)
J. Phys. Chem. C
, vol.113
, pp. 182-192
-
-
Gao, F.1
Cai, Y.2
Gath, K.K.3
Wang, Y.4
Chen, M.5
-
109
-
-
61649112946
-
CO oxidation on Pt-group met als from ultrahigh vacuum to near atmospheric pressures. 2. Palladium and platinum
-
Gao F, Wang Y, Cai Y, Goodman DW. 2008. CO oxidation on Pt-group met als from ultrahigh vacuum to near atmospheric pressures. 2. Palladium and platinum. J. Phys. Chem. C 113:174-181
-
(2008)
J. Phys. Chem. C
, vol.113
, pp. 174-181
-
-
Gao, F.1
Wang, Y.2
Cai, Y.3
Goodman, D.W.4
-
110
-
-
33746304731
-
Surface oxides on close-packed surfaces of late transition met als
-
Lundgren E, Mikkelsen A, Andersen J, Kresse G, Schmid M, Varga P. 2006. Surface oxides on close-packed surfaces of late transition met als. J. Phys. Condens. Matter 18:R481-99
-
(2006)
J. Phys. Condens. Matter
, vol.18
-
-
Lundgren, E.1
Mikkelsen, A.2
Andersen, J.3
Kresse, G.4
Schmid, M.5
Varga, P.6
-
111
-
-
0037124882
-
Two-dimensional oxide on Pd(111)
-
Lundgren E, Kresse G, Klein C, Borg M, Andersen J, et al. 2002. Two-dimensional oxide on Pd(111). Phys. Rev. Lett. 88:246103
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 246103
-
-
Lundgren, E.1
Kresse, G.2
Klein, C.3
Borg, M.4
Andersen, J.5
-
112
-
-
0042021773
-
The Pd(100)-(5× 5) R27-O surface oxide revisited
-
Todorova M, Lundgren E, Blum V, Mikkelsen A, Gray S, et al. 2003. The Pd(100)-(5× 5) R27-O surface oxide revisited. Surf. Sci. 541:101-112
-
(2003)
Surf. Sci.
, vol.541
, pp. 101-112
-
-
Todorova, M.1
Lundgren, E.2
Blum, V.3
Mikkelsen, A.4
Gray, S.5
-
113
-
-
33847716689
-
The Pd(100)-(5 × 5)R27-O surface oxide: A LEED, DFT and STM study
-
Kostelnik P, Seriani N, Kresse G, Mikkelsen A. 2007. The Pd(100)-(5 × 5)R27-O surface oxide: a LEED, DFT and STM study. Surf. Sci. 601:1574-1581
-
(2007)
Surf. Sci.
, vol.601
, pp. 1574-1581
-
-
Kostelnik, P.1
Seriani, N.2
Kresse, G.3
Mikkelsen, A.4
-
114
-
-
34447327224
-
Surface oxides on Pd(111): STM and density functional calculations
-
Klikovits J, Napetschnig E, Schmid M, Seriani N, Dubay O, et al. 2007. Surface oxides on Pd(111): STM and density functional calculations. Phys. Rev. B 76:045405
-
(2007)
Phys. Rev. B
, vol.76
, pp. 045405
-
-
Klikovits, J.1
Napetschnig, E.2
Schmid, M.3
Seriani, N.4
Dubay, O.5
-
115
-
-
34347342797
-
CO oxidation at Pd(100): A first-principles constrained thermodynamics study
-
Rogal J, Reuter K, Scheffler M. 2007. CO oxidation at Pd(100): a first-principles constrained thermodynamics study. Phys. Rev. B 75:205433
-
(2007)
Phys. Rev. B
, vol.75
, pp. 205433
-
-
Rogal, J.1
Reuter, K.2
Scheffler, M.3
-
116
-
-
2342646704
-
Self-limited growth of a thin oxide layer on Rh(111)
-
Gustafson J, Mikkelsen A, Borg M, Lundgren E, Köhler L, et al. 2004. Self-limited growth of a thin oxide layer on Rh(111). Phys. Rev. Lett. 92:126102
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 126102
-
-
Gustafson, J.1
Mikkelsen, A.2
Borg, M.3
Lundgren, E.4
Köhler, L.5
-
117
-
-
20044380818
-
Structure of a thin oxide film on Rh(100)
-
Gustafson J, Mikkelsen A, Borg M, Andersen J, Lundgren E, et al. 2005. Structure of a thin oxide film on Rh(100). Phys. Rev. B 71:115442
-
(2005)
Phys. Rev. B
, vol.71
, pp. 115442
-
-
Gustafson, J.1
Mikkelsen, A.2
Borg, M.3
Andersen, J.4
Lundgren, E.5
-
118
-
-
33748525932
-
Initial oxidation of the Rh(rfvn1 110) surface: Ordered adsorption and surface oxide structures
-
Dri C, Africh C, Esch F, Comelli G, Dubay O, et al. 2006. Initial oxidation of the Rh(110) surface: ordered adsorption and surface oxide structures. J. Chem. Phys. 125:094701
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 094701
-
-
Dri, C.1
Africh, C.2
Esch, F.3
Comelli, G.4
Dubay, O.5
-
119
-
-
20244376330
-
The surface oxide as a source of oxygen on Rh(111)
-
Lundgren E, Gustafson J, Resta A, Weissenrieder J, Mikkelsen A, et al. 2005. The surface oxide as a source of oxygen on Rh(111). J. Electron Spectrosc. Relat. Phenom. 144-147:367-372
-
(2005)
J. Electron Spectrosc. Relat. Phenom.
, vol.144-147
, pp. 367-372
-
-
Lundgren, E.1
Gustafson, J.2
Resta, A.3
Weissenrieder, J.4
Mikkelsen, A.5
-
120
-
-
33745742535
-
Kinetics of the reduction of the Rh (111) surface oxide: Linking spectroscopy and atomic-scale information
-
Klikovits J, Schmid M, Gustafson J, Mikkelsen A, Resta A, et al. 2006. Kinetics of the reduction of the Rh (111) surface oxide: linking spectroscopy and atomic-scale information. J. Phys. Chem. B 110:9966-9975
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 9966-9975
-
-
Klikovits, J.1
Schmid, M.2
Gustafson, J.3
Mikkelsen, A.4
Resta, A.5
-
122
-
-
1642524954
-
Oxide formation at the surface of late 4d transition met als: Insights from first-principles atomistic thermodynamics
-
Reuter K, Scheffler M. 2004. Oxide formation at the surface of late 4d transition met als: insights from first-principles atomistic thermodynamics. Appl. Phys. A 78:793-798
-
(2004)
Appl. Phys. A
, vol.78
, pp. 793-798
-
-
Reuter, K.1
Scheffler, M.2
-
124
-
-
77951685733
-
-
Erratum 75:049901
-
Erratum
, vol.75
, pp. 049901
-
-
-
125
-
-
37649026924
-
High-coverage oxygen structures on Rh (111): Adsorbate repulsion and site preference is not enough
-
Köhler L, Kresse G, Schmid M, Lundgren E, Gustafson J, et al. 2004. High-coverage oxygen structures on Rh (111): adsorbate repulsion and site preference is not enough. Phys. Rev. Lett. 93:266103
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 266103
-
-
Köhler, L.1
Kresse, G.2
Schmid, M.3
Lundgren, E.4
Gustafson, J.5
-
126
-
-
56449086165
-
3: In situ, time-resolved, and high-energy-resolution X-ray absorption spectroscopy
-
3: in situ, time-resolved, and high-energy-resolution X-ray absorption spectroscopy. Angew. Chem. Int. Ed. Engl. 47:9260-9264
-
(2008)
Angew. Chem. Int. Ed. Engl.
, vol.47
, pp. 9260-9264
-
-
Singh, J.1
Alayon, E.2
Tromp, M.3
Safonova, O.4
Glatzel, P.5
-
127
-
-
33846125906
-
Comparison of the reactivity of different Pd-O species in CO oxidation
-
Gabasch H, Knop-Gericke A, Schlögl R, Borasio M, Weilach C, et al. 2007. Comparison of the reactivity of different Pd-O species in CO oxidation. Phys. Chem. Chem. Phys. 9:533-540
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 533-540
-
-
Gabasch, H.1
Knop-Gericke, A.2
Schlögl, R.3
Borasio, M.4
Weilach, C.5
-
128
-
-
58049165194
-
CO oxidation trends on Pt-group met als from ultrahigh vacuum to near atmospheric pressures: A combined in situ PM-IRAS and reaction kinetics study
-
Gao F, McClure S, Cai Y, Gath K, Wang Y, et al. 2009. CO oxidation trends on Pt-group met als from ultrahigh vacuum to near atmospheric pressures: a combined in situ PM-IRAS and reaction kinetics study. Surf. Sci. 603:65-70
-
(2009)
Surf. Sci.
, vol.603
, pp. 65-70
-
-
Gao, F.1
McClure, S.2
Cai, Y.3
Gath, K.4
Wang, Y.5
-
129
-
-
19844380386
-
2 phase boundary
-
DOI 10.1016/j.cplett.2005.04.064, PII S0009261405005944
-
2 phase boundary. Chem. Phys. Lett. 409:1-7 (Pubitemid 40762491) (Pubitemid 40762491)
-
(2005)
Chemical Physics Letters
, vol.409
, Issue.1-3
, pp. 1-7
-
-
Li, W.X.1
Hammer, B.2
-
130
-
-
72449156136
-
New science for a secure and sustainable energy future
-
U. S. Dep. Energy
-
Hemminger J. 2008. New science for a secure and sustainable energy future. Basic Energy Sci. Advis. Comm., U. S. Dep. Energy
-
(2008)
Basic Energy Sci. Advis. Comm.
-
-
Hemminger, J.1
-
131
-
-
0003243584
-
Met al-support boundary sites in catalysis
-
Hayek K, Kramer R, Paál Z. 1997. Met al-support boundary sites in catalysis. Appl. Catal. A 162:1-15
-
(1997)
Appl. Catal. A
, vol.162
, pp. 1-15
-
-
Hayek, K.1
Kramer, R.2
Paál, Z.3
-
133
-
-
34748834742
-
Doping and functionalization of photoactive semiconducting met al oxides
-
Di Valentin C, Diebold U, Selloni A. 2007. Doping and functionalization of photoactive semiconducting met al oxides. Chem. Phys. 339:vii-viii
-
(2007)
Chem. Phys.
, vol.339
-
-
Di Valentin, C.1
Diebold, U.2
Selloni, A.3
-
134
-
-
29644436938
-
2 (110), (100), and (101) single-crystal surfaces: Structure, composition, and electronic properties
-
2 (110), (100), and (101) single-crystal surfaces: structure, composition, and electronic properties. Phys. Rev. B 72:165414
-
(2005)
Phys. Rev. B
, vol.72
, pp. 165414
-
-
Batzill, M.1
Katsiev, K.2
Burst, J.3
Diebold, U.4
Delley, B.5
-
135
-
-
0037051017
-
Surfaces: A playground for physics with broken symmetry in reduced dimensionality
-
Plummer E, Matzdorf R, Melechko A, Pierce J, Zhang J. 2002. Surfaces: a playground for physics with broken symmetry in reduced dimensionality. Surf. Sci. 500:1-27
-
(2002)
Surf. Sci.
, vol.500
, pp. 1-27
-
-
Plummer, E.1
Matzdorf, R.2
Melechko, A.3
Pierce, J.4
Zhang, J.5
-
137
-
-
33749366224
-
Tunable quasi-two-dimensional electron gases in oxide heterostructures
-
DOI 10.1126/science.1131091
-
Thiel S, Hammerl G, Schmehl A, Schneider CW, Mannhart J. 2006. Tunable quasi-two-dimensional electron gases in oxide heterostructures. Science 313:1942-1945 (Pubitemid 44497997) (Pubitemid 44497997)
-
(2006)
Science
, vol.313
, Issue.5795
, pp. 1942-1945
-
-
Thiel, S.1
Hammerl, G.2
Schmehl, A.3
Schneider, C.W.4
Mannhart, J.5
-
138
-
-
43049150719
-
Scanning probe microscopy ofoxide surfaces: Atomic structure and properties
-
Bonnell DA, GarraJ. 2008. Scanning probe microscopy ofoxide surfaces: atomic structure and properties. Rep. Prog. Phys. 71:044501
-
(2008)
Rep. Prog. Phys.
, vol.71
, pp. 044501
-
-
Bonnell, D.A.1
Garra, J.2
-
139
-
-
56849112278
-
Cleaving-temperature dependence of layered-oxide surfaces
-
Pennec Y, Ingle N, Elfimov I, Varene E, Maeno Y, et al. 2008. Cleaving-temperature dependence of layered-oxide surfaces. Phys. Rev. Lett. 101:216103
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(2008)
Phys. Rev. Lett.
, vol.101
, pp. 216103
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Pennec, Y.1
Ingle, N.2
Elfimov, I.3
Varene, E.4
Maeno, Y.5
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