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- Currently displaying 221 - 240 of 244 publications
EXPLORING THE CATALYTIC ACTIVITY OF A NOBLE METAL: THE Ag CATALYZED ETHYLENE EPOXIDATION REACTION
(2006)
389
(doi: 10.1142/9781860948053_0014)
When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?
– Journal of Vacuum Science & Technology A Vacuum Surfaces and Films
(2005)
23,
1487
(doi: 10.1116/1.2049302)
Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory
– Phys Rev Lett
(2004)
93,
116101
Density functional theory study of the interaction of monomeric water with the Ag{111} surface
– Physical Review B - Condensed Matter and Materials Physics
(2004)
69,
205411
(doi: 10.1103/PhysRevB.69.205411)
Water Dimer Diffusion on Pd{111} Assisted by an H-Bond Donor-Acceptor Tunneling Exchange
– Phys Rev Lett
(2004)
92,
136104
Insight intoH2O-ice adsorption and dissociation on metal surfaces from first-principles simulations
– Physical Review B
(2004)
69,
113404
(doi: 10.1103/physrevb.69.113404)
First-principles study ofH2Odiffusion on a metal surface: H2Oon Al{100}
– Physical Review B - Condensed Matter and Materials Physics
(2004)
69,
075409
(doi: 10.1103/physrevb.69.075409)
Initial stages in the oxidation and reduction of the 4×4 surface oxide phase on Ag{111}: A combined density-functional theory and STM simulation study
– Physical Review B
(2003)
68,
075413
(doi: 10.1103/physrevb.68.075413)
Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on W{100}
– Phys Rev Lett
(2003)
90,
246103
General model for water monomer adsorption on close-packed transition and noble metal surfaces
– Physical Review Letters
(2003)
90,
2161021
New insights into ethene epoxidation on two oxidized Ag[111] surfaces.
– J Am Chem Soc
(2003)
125,
5620
(doi: 10.1021/ja0297741)
Identification of General Linear Relationships between Activation Energies and Enthalpy Changes for Dissociation Reactions at Surfaces
– Journal of the American Chemical Society
(2003)
125,
3704
(doi: 10.1021/ja027366r)
Different Surface Chemistries of Water on Ru{0001}: From Monomer Adsorption to Partially Dissociated Bilayers
– J Am Chem Soc
(2003)
125,
2746
(doi: 10.1021/ja028855u)
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{111}
– Chemical Physics Letters
(2003)
367,
344
Hydrogenation of S to H2S on Pt(111): A first-principles study
– The Journal of Chemical Physics
(2001)
115,
8570
(doi: 10.1063/1.1410390)
Catalytic water formation on platinum: A first-principles study
– J Am Chem Soc
(2001)
123,
4235
(doi: 10.1021/ja003576x)
A density functional theory study of the reaction of C+O, C+N, and C+H on close packed metal surfaces
– Journal of Chemical Physics
(2001)
114,
5792
(doi: 10.1063/1.1352731)
Softened C–H modes of adsorbed methyl and their implications for dehydrogenation: An ab initio study
– The Journal of Chemical Physics
(2001)
114,
2523
(doi: 10.1063/1.1345907)
A density functional theory study of hydroxyl and the intermediate in the water formation reaction on Pt
– Journal of Chemical Physics
(2001)
114,
513
(doi: 10.1063/1.1328746)
Insight into Microscopic Reaction Pathways in Heterogeneous Catalysis
– Journal of the American Chemical Society
(2000)
122,
9866
(doi: 10.1021/ja0011919)