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v_w.bib
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@String{j-cat = {J. Catal.}}
@String{j-chem-phys = {J. Chem. Phys.}}
@String{prl = {Phys. Rev. Lett.}}
@string{prb="Phys. Rev. B"}
@string{surf-sci="Surf. Sci."}
@string{j-mol-cat-a={J. Mol. Catal. A}}
@article{norskov2002:_univer,
Author = {{J. K. N{\o}rskov \emph{et al.}}},
title = {Universality in heterogeneous catalysis},
Journal = j-cat,
Volume = 209,
Number = 2,
Pages = {275-278},
Abstract = {Based on an extensive set of density functional
theory calculations it is shown that for a class of
catalytic reactions there is a universal, reactant
independent relation between the reaction activation
energy and the stability of reaction
intermediates. This leads directly to a universal
relationship between adsorption energies and
catalytic activity, which is used to pinpoint what
it is that determines the best catalyst for a given
reaction. The universality principle rationalizes a
number of known facts about catalysts and points to
new ways of improving them. (C) 2002 Elsevier
Science (USA).},
Year = 2002
}
@Book{sinfelt1983,
author = {Sinfelt, J. H.},
title = {Bimetallic Catalysts: Discoveries, Concepts and Applications},
publisher = {John Wiley and Sons},
year = 1983
}
@Book{harrison1989,
author = {W. A. Harrison},
title = {{Electronic Structure and the Properties of Solids}},
publisher = {Dover Publications, Inc., New York},
year = 1989
}
@Article{kitchin2003:_elucid_ni_pt,
author = {J. R. Kitchin and N. A. Khan and J. G. Chen and
M. A. Barteau and T. E. Madey and B. Yakshinsky},
title = {{Elucidation of the active surface and origin of the
weak metal-hydrogen bond on Ni/Pt(111) surfaces: a
surface science and density functional theory}},
journal = surf-sci,
year = 2003,
volume = 544,
number = {2-3},
pages = {295-308}
}
@article{hammer1996:_co,
Author = {B. Hammer and Y. Morikawa and J. K. N{\o}rskov},
title = {{CO chemisorption at metal surfaces and overlayers}},
Journal = prl,
Volume = 76,
Number = 12,
Pages = {2141-2144},
Abstract = {A database of ab initio calculations of the
chemisorption energy of CO over Ni(111), Cu(111),
Ru(0001), Pd(111), Ag(111), Pt(111), Au(111),
Cu3Pt(111), and some metallic overlayer structures
is presented. The trends can be reproduced with a
simple model describing the interaction between the
metal d states and the CO 2 pi* and 5 sigma states,
renormalized by the metal sp continuum. Our model
rationalizes the results by Rodriguez and Goodman
[Science 257, 897 (1992)] showing a strong
correlation between the CO chemisorption energy and
the surface core level shift. },
Year = 1996
}
@InProceedings{andersen1985:_canon_descr_band_struc_metal,
author = {O. K. Andersen and O. Jepsen and D. Gl\"otzel},
title = {Canonical Description of the Band Structures of
Metals},
booktitle = {Highlights of Condensed-Matter Theory},
pages = {59-193},
year = 1985,
editor = {F. Bassani and F. Fumi and M. P. Tosi},
volume = {LXXXIX},
organization = {Italian Physical Society},
publisher = {North-Holland Physics Publishing}
}
@Article{ruban1997:_surfac,
author = {A. V. Ruban and B. Hammer and P. Stoltze and
H. L. Skriver and J. K. N{\o}rskov},
title = {Surface electronic structure and reactivity of
transistion and noble metals},
journal = j-mol-cat-a,
year = 1997,
volume = 115,
pages = {421-429}
}
@Article{campbell1992:_chemic,
author = {R. A. Campbell and J. A. Rodriguez and D. W. Goodman},
title = {{Chemical and electronic properties of ultrathin
metal films: The Pd/Re(0001) and Pd/Ru(0001) systems}},
journal = prb,
year = 1992,
volume = 46,
number = 11,
pages = {7077-7087}
}
@Article{mavrikakis1998:_effec_strain_metal,
author = {M. Mavrikakis and B. Hammer and J. K. N{\o}rskov},
title = {Effect of Strain on the reactivity of Metal
surfaces},
journal = prl,
year = 1998,
volume = 81,
number = 13,
pages = {2819-2822}
}
@Article{kitchin2004:_modif_surfac_elect_chemic_proper,
author = {J. R. Kitchin and J. K. N{\o}rskov and J. G. Chen
and M. A. Barteau},
title = {Modification of the Surface Electronic and Chemical
Properties of Pt(111) by Subsurface 3d Transition
Metals},
journal = j-chem-phys,
year = 2004,
volume = {120},
number = {21},
pages = {10240-10247}
}
@Article{rodriguez1992,
author = {J. A. Rodriguez and D. W. Goodman},
title = {The nature of the metal-metal bond in bimetallic surfaces},
journal = {Science},
year = 1992,
volume = 257,
pages = {897-903}
}
@Article{schlapka2003:_surfac_strain_subst_inter_heter_metal_layer,
author = {A. Schlapka and M. Lischka and A. Gro\ss and
U. K\"asberger and P. Jakob},
title = {Surface Strain versus Substrate Interaction in
Heteroepitaxial Metal Layers: Pt on Ru(0001)},
journal = prl,
year = 2003,
volume = 91,
pages = 016101
}
@Article{goodman1990:_chemis,
author = {D. W. Goodman},
title = {{Chemistry on monolayer metallic films}},
journal = {Ultramicroscopy},
year = 1990,
volume = 34,
issue = {1-2},
pages = {1-9}
}
@Article{jacobsen1987:_inter,
author = {K. W. Jacobsen and J. K. N{\o}rskov and M. J. Puska},
title = {Interatomic interactions in the effective-medium
theory},
journal = prb,
year = 1987,
volume = 35,
number = 14,
pages = {7423-7442}
}