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- Currently displaying 261 - 280 of 283 publications
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 - art. no. 116101
Physical review letters
(2004)
93
116101
Density functional theory study of the interaction of monomeric water with the Ag{111} surface -: art. no. 205411
Physical Review B Condensed Matter and Materials Physics
(2004)
69
1
(doi: 10.1103/PhysRevB.69.205411)
Water Dimer Diffusion on Pd{111} Assisted by an H-Bond Donor-Acceptor Tunneling Exchange
Physical Review Letters
(2004)
92
1
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 4x4 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}
Physical Review Letters
(2003)
90
4
General model for water monomer adsorption on close-packed transition and noble metal surfaces
Physical Review Letters
(2003)
90
4
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
Journal of Chemical Physics
(2001)
115
8570
(doi: 10.1063/1.1410390)
Catalytic water formation on platinum: a first-principles study.
Journal of the American Chemical Society
(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
The 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
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)
A first principles study of CH3 dehydrogenation on Ni(111)
The Journal of Chemical Physics
(2000)
112
8120
(doi: 10.1063/1.481412)
