Bjørk Hammer, PhD, hammer@phys.au.dk

University of Aarhus, 2000-
117 :
Treatment of layered structures using a semilocal meta-GGA density functional.NEW
G. K. H. Madsen, L. Ferrighi, and B. Hammer,
J. Phys. Chem. Lett. 1 515 (2010).
116 :
2D-3D transition for cationic and anionic gold clusters: A kinetic energy density functional study.NEW
L. Ferrighi, B. Hammer, and G. K. H. Madsen,
J. Am. Chem. Soc. 131 10605 (2009).
115 :
Extended atomic hydrogen dimer configurations on the graphite(0001) surface.
Z. Sljivancanin, E. Rauls, L. Hornekaer, W. Xu, F. Besenbacher, and B. Hammer,
J. Chem. Phys. 131 084706 (2009).
114 :
Formation and diffusion of water dimers on rutile TiO2(110).NEW
J. Matthiesen, J. Ø. Hansen, S. Wendt, E. Lira, R. Schaub, E. Lægsgaard, F. Besenbacher, and B. Hammer,
Phys. Rev. Lett. 102 226101 (2009).
113 :
Imaging of the Hydrogen Subsurface Site in Rutile TiO2.NEW
G. H. Enevoldsen, H. P. Pinto, A. S. Foster, M. C. R. Jensen, W. A. Hofer, B. Hammer, J. V. Lauritsen, and F. Besenbacher,
Phys. Rev. Lett. 102 136103 (2009).
112 :
Observation of All the Intermediate Steps of a Chemical Reaction on an Oxide Surface by Scanning Tunneling Microscopy.NEW
J. Matthiesen, S. Wendt, J. O. Hansen, G. K. H. Madsen, E. Lira, P. Galliker, E. K. Vestergaard, R. Schaub, E. Lægsgaard, B. Hammer, and F. Besenbacher,
ACS Nano, 3, 517 (2009).
111 :
Effect of subsurface Ti-interstitials on the bonding of small gold clusters on rutile-TiO2(110).NEW
G. K. H. Madsen and B. Hammer,
J. Chem. Phys. 130, 044704 (2009).
110 :
Structure and catalytic reactivity of Rh oxides.NEW
J. Gustafson, R. Westerstrom, A. Resta, A. Mikkelsen, J.N. Andersen, O. Balmes, X. Torrelles, M. Schmid, P. Varga, B. Hammer, G. Kresse, C.J. Baddeley, and E. Lundgren,
Catal. Today 145, 227-235, (2009).
109 :
Selective propene epoxidation on immobilized Au6-10 clusters: the effect of hydrogen and water on selectivity and activity.NEW
S. Lee, L. M. Molina, M. J. Lopez, J. A Alonso, B. Hammer, B. Lee, S. Seifert, R. E. Winans, J. W. Elam, M. J. Pellin, and S. Vajda,
Angew. Chemie Int. Edit. 48, 1467 (2009).
108 :
The role of interstitial sites in the Ti3d defect state in the band gap of titania.NEW
S. Wendt, P. T. Sprunger, E. Lira, G. K. H. Madsen, Z. Li, J. O. Hansen, J. Matthiesen, A. Blekinge-Rasmussen, E. Lægsgaard, B. Hammer, and F. Besenbacher,
Science, 320, 1755 (2008).
107 :
Structure and reactivity of a model catalyst alloy under realistic conditions.
R. Westerstrom, J.G. Wang, M.D. Ackermann, J. Gustafson, A. Resta, A. Mikkelsen, J.N. Andersen, E. Lundgren, O. Balmes, X. Torrelles, J.W.M. Frenken, and B. Hammer,
J. Phys.: Condens. Matter 20, 184019 (2008).
106 :
Activation in Prochiral Reaction Assemblies on Pt(111).
M.-A. Laliberte, S. Lavoie, B. Hammer, G. Mahieu, and P.H. McBreen,
J. Am. Chem. Soc. 130, 5386-5387 (2008).
105 :
Extended One-dimensional Supramolecular Assemply on a Stepped Surface.
J. Schnadt, E. Rauls, W. Xu, R.T. Wang, J. Knudsen, E. Lægsgaard, Z. Li, B. Hammer, and F. Besenbacher,
Phys. Rev. Lett. 100, 046103 (2008).
104 :
Covalent Interlinking of an Aldehyde and an Amine on a Au(111) Surface in Ultrahigh Vacuum.
S. Weigelt, C. Busse, C. Bombis, M.K. Knudsen, K. V. Gothelf, T. Strunskus, C. Woll, M. Dahlbom, B. Hammer, E. Lægsgaard, F. Besenbacher, T.R. Linderoth,
Angew. Chemie Int. Ed., 46, 9227 (2007).
103 :
Enhanced Bonding of Gold Nanoparticles on Oxidized TiO2(110).
D. Matthey, J. G. Wang, S. Wendt, J. Matthiesen, R. Schaub, E. Lægsgaard, B. Hammer, F. Besenbacher,
Science, 315, 1692 (2007).
102 :
Probing enantioselectivity with X-ray photoelectron spectroscopy and density functional theory.
R. Schillinger, Z. Sljivancanin, B. Hammer, and T. Greber,
Physical Review Letters 98, 136102 (2007).
101 :
Oxidation state of oxide supported nanometric gold.
J. G. Wang and B. Hammer,
Topics in Catalysis, 44, 49 (2007).
100 :
The role of surface elastic relaxations in an O-induced nanopattern on Pt(110)-(1x2).
S. Helveg, W. X. Li, N. C. Bartelt, S. Horch, E. Lægsgaard, B. Hammer, and F. Besenbacher,
Physical Review Letters, 98, 115501 (2007).
99 :
Clustering of chemisorbed H(D) atoms on the graphite (0001) surface due to preferential sticking.
L. Hornekær, E. Rauls, W. Xu, Z. Sljivancanin, R. Otero, I. Stensgaard, E. Lægsgaard, B. Hammer, F. Besenbacher,
Physical Review Letters, 97, 186102 (2006).
98 :
The role of Au+ in supporting and activating Au7 on TiO2(110)
J. G. Wang and B. Hammer,
Phys. Rev. Lett., 97, 136107 (2006).
97 :
Theoretical study of H2O dissociation and CO oxidation on Pt2Mo(111)
J. G. Wang and B. Hammer,
J. Catal., 243, 192-198 (2006).
96 :
Metastable structures and recombination pathways for atomic hydrogen on the graphite (0001) surface.
L. Hornekær, Z. Sljivancanin, W. Xu, R. Otero, E. Rauls, I. Stensgaard, E. Lægsgaard, B. Hammer, and F. Besenbacher,
Phys. Rev. Lett., 96, 156104 (2006).
95 :
Structure and activity of oxidized Pt(110) and alpha-PtO2
T. M. Pedersen, W. X. Li, and B. Hammer,
Phys. Chem. Chem. Phys., 8, 1566 (2006).
94 :
Formation and splitting of paired hydroxyl groups on reduced TiO2(110)
S. Wendt, J. Matthiesen, R. Schaub, E.K. Vestergaard, E. Lægsgaard, F. Besenbacher, and B. Hammer,
Phys. Rev. Lett., 96, 066107 (2006).
93 :
Density functional theory study of water dissociation in a double water bilayer with or without coadsorption of CO on Pt(111)
J. G. Wang and B. Hammer,
J. Chem. Phys., 124, 184704 (2006).
92 :
Chiral recognition of organic molecules by atomic kinks on surfaces.
T. Greber, Z. Sljivancanin, R. Schillinger, J. Wider, and B. Hammer,
Phys. Rev. Lett., 96, 056103 (2006).
91 :
Chiral switching by spontaneous conformational change in adsorbed organicmolecules.
S. Weigelt, C. Busse, L. Petersen, E. Rauls, B. Hammer, K. V. Gothelf, F. Besenbacher and T.R.Linderoth,
Nature Materials, 5, 112-117 (2006).
90 :
The role of the chiral modifier on the enantioselective hydrogenation of methyl pyruvate on Pt(111).
E. Rauls and B. Hammer,
Catal. Lett., 106, 111-114 (2006).
89 :
Special sites at noble and late transition metal catalysts.
B. Hammer,
Topics in Catalysis, 37, 3-16 (2006).
88 :
One-dimensional PtO2 oxide at Pt steps: formation and reaction with CO.
J. G. Wang, W. X. Li, M. Borg, J. Gustafson, A. Mikkelsen, T. M. Pedersen, E. Lundgren, J. Weissenrieder, J. Klikovits, M. Schmid, B. Hammer, and J. N. Andersen,
Phys. Rev. Lett., 95, 256102 (2005).
87 :
Structure and reactivity of surface oxides on Pt(110) during catalytic CO oxidation.
M.D.Ackermann, T.M.Pedersen, B.L.M.Hendriksen, O.Robach, S.C.Bobaru, I.Popa, C.Quiros, H.Kim, B.Hammer, S.Ferrer, J.W.M.Frenken,
Phys. Rev. Lett., 95, 255505 (2005).
86 :
Oxygen vacancies on TiO2 and their interaction with H2O and O2: A combined high-resolution STM and DFT study.
S. Wendt, R. Schaub, J. Matthiesen, E.K. Vestergaard, E. Wahnstrom, M.D. Rasmussen, P. Thostrup, L.M. Molina, E.Lægsgaard, I. Stensgaard, B. Hammer, and F. Besenbacher,
Surf. Sci., 598, 226 (2005).
85 :
Adsorbate-induced alloy phase separation: A direct view by high-pressure scanning tunnelling microscopy.
Phys. Rev. Lett., 95, 126101 (2005).
84 :
Oxygen adsorption at anionic free and supported Au clusters
J. Chem. Phys. 123, 161104 (2005).
83 :
The activity of the tetrahedral Au-20 cluster: charging and impurity effects.
J. Catal. 233, 399 (2005).
82 :
Reactivity of a gas/metal/metal-oxide three-phase boundary: CO oxidation at the Pt(111)-c(4x2)-2CO/alpha-PtO2 phase boundary.
Chem. Phys. Lett. 409, 1 (2005).
81 :
The electronic structure effect in heterogeneous catalysis.
Catal. Lett. 100, 111 (2005).
80 :
Guanine Quartet Networks Stabilized by Cooperative Hydrogen Bonds.
Angew. Chem. Int. Ed. 44, 2 (2005).
79 :
Some recent theoretical advances in the understanding of the catalytic activity of Au.
Appl. Catal. A: General 291, 21 (2005).
78 :
Oxidation of Pt(110).
Phys. Rev. Lett. 93, 146104 (2004).
77 :
Two-Step Reaction on a Strained, Nanoscale Segmented Surface.
Phys. Rev. Lett. 93, 126104 (2004).
76 :
Promoting and poisoning effects of Na and Cl coadsorption on CO oxidation over MgO-supported Au nanoparticles.
J. Catal. 227, 217 (2004).
75 :
CO Desorption Rate Dependence on CO Partial Pressure over Platinum Fuel Cell Catalysts.
Fuel Cells 4, 309 (2004).
74 :
Growth of Unidirectional Molecular Rows of Cysteine on Au(110)-(1x2) Driven by Adsorbate-Induced Surface Rearrangements.
Phys. Rev. Lett. 93, 086101 (2004).
73 :
Adsorption of O2 and oxidation of CO at Au nanoparticles supported by TiO2(110).
J. Chem. Phys. 120, 7673 (2004).
72 :
Theoretical study of CO oxidation on Au nanoparticles supported by MgO(100).
Phys. Rev. B 69, 155424 (2004).
71 :
Adsorption, diffusion and dissociation of molecular oxygen at defected TiO2(110) -- a DFT study.
J. Chem. Phys. 120, 988 (2004).
70 :
Active role of oxide support during CO oxidation at Au/MgO.
Phys. Rev. Lett. 90, 206102 (2003).
69 :
A density functional theory study of enantiospecific adsorption at chiral surfaces
J. Am. Chem. Soc. 124, 14789-14794 (2002).
68 :
Adsorbate-oxide interactions during the NO+CO reaction on MgO(100) supported Pd monolayer films
Phys. Rev. Lett. 89, 016102 (2002).
67 :
Comment on "High Pressure Adsorbate Structures Studied by Scanning Tunneling Microscopy: CO on Pt(111) in Equilibrium with the Gas Phase"
Phys. Rev. Lett. (comment) 88, 259601 (2002).
66 :
Oxygen dissociation at close-packed Pt terraces, Pt steps, and Ag-covered Pt steps studied with density functional theory
Surf. Sci. 515, 235-244 (2002).
65 :
Theoretical study of thiol-induced reconstructions on the Au(111) surface
Chem. Phys. Lett. 360, 264-271 (2002).
64 :
An STM and DFT study of the ordered structures of NO on Pd(111).
Surf. Sci. 496, 1 (2002).
63 :
Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunnelling microscopy
Nature (London), 415, 891-893 (2002).
62 :
Universality in Heterogeneous Catalysis
J. Catal. 209, 275-278 (2002).
61 :
A density functional theory study of the adsorption of sulfur, mercapto, and methylthiolate on Au(111).
J. Chem. Phys. 116, 784 (2002).
60 :
H2 dissociation at defected Cu: Preference for reaction at vacancy and kink sites.
Phys. Rev. B 65, 085414 (2002).
59 :
Distinct reaction mechanisms in the catalytic oxidation of carbon monoxide on Rh(110): an STM and DFT study.
Phys. Rev. Lett. 87, 196104 (2001).
58 :
Oxygen dissociation at Pt steps.
Phys. Rev. Lett. 87, 056103 (2001).
57 :
Coverage dependence of N2 dissociation at N, O, or H precovered Ru(0001).
Phys. Rev. B 63, 205423 (2001).
56 :
Kinetics of fast island decay.
Phys. Rev. B 63, 045412 (2001).
55 :
Surface Waves on NiAl(110).
Phys. Rev. B 63, 115421 (2001).
54 :
The NO + CO reaction catalyzed by flat, stepped and edged Pd surfaces.
J. Catal. 199, 171 (2001).
53 :
The CO/Pt(111) puzzle.
J. Phys. Chem. B 105, 4018 (2001).
52 :
The Brønsted-Evans-Polanyi relation and the volcano plot for ammonia synthesis
over transition metal catalysts.
J. Catal. 197, 229-231 (2001).
Aalborg University 1997-2000.
51 :
Dynamics of high barrier surface reactions:
Laser Assisted Associative Desorption of N2 from Ru(0001)
Phys. Rev. Lett. 84, 4906 (2000).
50 :
Adsorption, diffusion, and dissociation of NO, N and O on flat and stepped Ru(0001)
Surf. Sci. 459, 323 (2000).
49 :
Theoretical surface science and catalysis - calculations and concepts
Adv. Catal. 45, 71 (2000).
48 :
Bond activation at monatomic steps: NO dissociation at corrugated Ru(0001).
Phys. Rev. Lett. 83, 3681 (1999).
47 :
Theoretical analysis of hydrogen chemisorption on Pd(111), Re(0001), and PdML/Re(0001),
ReML/Pd(111) pseudomorphic overlayers.
Phys. Rev. B 60, 6146 (1999).
46 :
Inverted vibrational distributions from N2 recombination at Ru(001):
Evidence for a metastable molecular chemisorption well.
J. Chem. Phys. 110, 6954 (1999).
45 :
Nitrogen adsorption and hydrogenation on a MoFe6S9 complex
Phys. Rev. Lett. 82, 4054 (1999).
44 :
Improved adsorption energetics within density functional theory using revised PBE functionals
Phys. Rev. B 59, 7413 (1999).
43 :
A first principles potential energy surface for Eley-Rideal reaction dynamics of H atoms on Cu(111)
J. Chem. Phys. 110, 2240 (1999).
42 :
Nitrogen adsorption and dissociation on Fe(111)
J. Catal. 182, 479 (1999).
40 :
The effect of strain on the reactivity of metal surfaces
Phys. Rev. Lett. 81, 2819 (1998).
39 :
Nitrogen adsorption on Fe(111), (100), and (110) surfaces
Surf. Sci. 422, 8 (1999).
38 :
A theoretical study of adsorbate-adsorbate interactions on Ru(0001)
Surf. Sci. 414, 315 (1998).
37 :
Alkali-promotion of N2 dissociation over Ru(0001)
Phys. Rev. Lett. 80, 4333 (1998).
36 :
Reactivity of a stepped surface: NO dissociation on Pd(211)
Faraday Discussion 110, 323 (1998).
35 :
Design of a surface alloy catalyst for steam reforming
Science, 279, 1913 (1998).
The Technical University of Denmark, 1992-1993, 1994-1997
Fritz-Haber-Institut der Max-Planck-Gesellschaft, 1993-1994
University of Illinois, 1995-1996
34 :
Adsorbate reorganization at steps: NO on Pd(211)
Phys. Rev. Lett. 79, 4441 (1997).
32 :
The dynamics of H absorption in and adsorption on Cu(111)
Surf. Sci. 397, 382 (1998).
31 :
in ``Chemisorption and Reactivity on Supported Clusters and Thin Films'', 285-351, R. M. Lambert and G. Pacchioni (Eds.), Kluwer Academic Publishers, The Netherlands (1997).
29 :
Density functional calculations of N2 adsorption and dissociation on a Ru(0001) surface
J. Catal. 169, 85 (1997).
28 :
CO adsorption and dissociation on Pt(111) and Ni(111) surfaces
Surf. Sci. 386, 67 (1997).
26 :
Structure sensitivity in adsorption: CO interaction with stepped and reconstructed Pt surfaces
Catal. Lett. 46, 31 (1997).
25 :
A comparison of N2 and CO adsorption on Ru(001)
Z. Phys. Chem. 198, 113 (1997).
24 :
Surface electronic structure and reactivity of transition and noble metals
Journal of Molecular Catalysis A: Chemical 115, 421 (1997).
22 :
A theoretical study of CH4 dissociation on pure and gold-alloyed Ni(111) surfaces
Journal of Chemical Physics 105, 5595 (1996).
21 :
A comparison of quantum and classical dynamics of H2 dissociation on Cu(111),
Surf. Sci. 364, 219 (1996).
20 :
Geometric and electronic factors determining the difference in reactivity of H2 on Cu(100) and Cu(111)
Surf. Sci. 359, 45 (1996).
19 :
CO chemisorption at metal surfaces and overlayers,
Phys. Rev. Lett. 76, 2141, (1996).
18 :
Designing surface alloys with specific active sites,
Catal. Lett. 40, 131 (1996).
15 :
Electronic factors determining the reactivity of metal surfaces,
Surf. Sci. 343, 211 (1995), 359, 306 (1996) (E).
13 :
Why gold is the noblest of all the metals,
Nature 376, 238 (1995).
12 :
Local Chemical Reactivity of a Metal Alloy Surface,
Phys. Rev. Lett. 74, 3487 (1995).
8 :
High-Dimensional Quantum Dynamics of Adsorption and Desorption of H2 at Cu(111)
Phys. Rev. Lett. 73, 3121 (1994).
7 :
The multidimensional potential energy surface for H2 dissociation over Cu(111),
Phys. Rev. Lett. 73, 1400 (1994).
4 :
Role of Nonlocal Exchange Correlation in Activated Adsorption
Phys. Rev. Lett. 70, 3971 (1993).
1 :
Dissociation Path for H2 on Al(110)
Phys. Rev. Lett. 69, 1971 (1992).