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- Currently displaying 121 - 140 of 214 publications
When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver–rhodium bimetallic surfaces
Surface Science
(2007)
601
L103
(doi: 10.1016/j.susc.2007.06.031)
Surface states and surface stability in half-metallic systems: The cases of zinc-blende-structure MnSb {111}A, {111}B and {001}
Journal of Physics: Condensed Matter
(2007)
19
315214
Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study
The Journal of Chemical Physics
(2007)
126
244701
(doi: 10.1063/1.2741540)
Theory of C2Hx species on Pt{110} (1x2):: Reaction pathways for dehydrogenation
The Journal of Chemical Physics
(2007)
126
044710
(doi: 10.1063/1.2429068)
Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study
(2007)
An unexpected pathway for the catalytic oxidation of methylidyne on Rh{111} as a route to syngas
Journal of the American Chemical Society
(2007)
129
1751
(doi: 10.1021/ja067722w)
Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects
Surface Science
(2006)
600
224
(doi: 10.1016/j.susc.2006.05.053)
Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects
Surface Science
(2006)
600
224
(doi: 10.1016/j.susc.2006.05.053)
Ridge-bridge adsorption of molecular oxygen on Pt[110](1 x 2) from first principles.
The journal of physical chemistry. B
(2006)
110
11962
(doi: 10.1021/jp057447k)
The local adsorption geometry and electronic structure of alanine on Cu{110}
Surface Science
(2006)
600
1924
(doi: 10.1016/j.susc.2006.02.033)
The local adsorption geometry and electronic structure of alanine on Cu{1 1 0}
Surface Science
(2006)
600
1924
(doi: 10.1016/j.susc.2006.02.033)
Dissociative adsorption and adsorbate-induced reconstruction on Fe{2 1 1}
Surface Science
(2006)
600
1431
(doi: 10.1016/j.susc.2005.12.064)
Comment on: New electron states that float on semiconductor and metal surfaces [Surf. Sci. 585 (2005) L177]
Surface Science
(2006)
600
1415
(doi: 10.1016/j.susc.2005.11.039)
Theory of C2Hx species on Pt{110}(1 x 2): Structure, stability, and thermal chemistry
J Phys Chem B
(2006)
110
4147
(doi: 10.1021/jp055128n)
Stabilizing CO on Au with NO2: electronegative species as promoters on coinage metals?
Physical Review Letters
(2005)
95
266102
Origins of catalytic activity in oxide-supported gold: Ultra-small particles and fungiform nanostructures
ACS National Meeting Book of Abstracts
(2005)
230
The Limits to Spin-Polarization in Finite-Temperature Half-Metallic Ferromagnets
(2005)
295
(doi: 10.1007/3-540-27284-4_11)
The Structure of the Chiral Pt{531} Surface: A Combined LEED and DFT Study
The journal of physical chemistry. B
(2005)
109
22456
(doi: 10.1021/jp053321b)
Pathways for dissociative ethane chemisorption on Pt{1 1 0} (1 × 2) using density functional theory
Chemical Physics Letters
(2005)
413
289
(doi: 10.1016/j.cplett.2005.07.074)
Catalyst-induced changes in a substituted aromatic: A combined approach via experiment and theory
Surface Science
(2005)
589
173
(doi: 10.1016/j.susc.2005.05.056)
