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- Currently displaying 221 - 240 of 251 publications
The unhappy marriage of transition and noble metal atoms: A new way to enhance catalytic activity? (A perspective on: “When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver–rhodium bimetallic surfaces” by O.R. Inderwildi, S.J. Jenkins, D.A. King)
– Surface Science
(2007)
601,
3529
(doi: 10.1016/j.susc.2007.06.065)
Simulating ice nucleation, one molecule at a time, with the 'DFT microscope'
– Faraday Discussions
(2007)
136,
287
(doi: 10.1039/b616689j)
Density functional theory study of flat and stepped NaCl(001)
– Physical Review B - Condensed Matter and Materials Physics
(2007)
76,
075401
(doi: 10.1103/physrevb.76.075401)
Density functional theory simulations of water–metal interfaces: waltzing waters, a novel 2D ice phase, and more
– Applied Physics A: Materials Science and Processing
(2006)
85,
415
(doi: 10.1007/s00339-006-3695-9)
"Textbook" adsorption at "nontextbook" adsorption sites: halogen atoms on alkali halide surfaces.
– Physical Review Letters
(2006)
97,
046802
Revisiting the structure of the p(4×4) surface oxide on Ag(111)
– Physical review letters
(2006)
96,
146101
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 -: art. no. 116101
– Phys Rev Lett
(2004)
93,
116101
Density functional theory study of the interaction of monomeric water with the Ag{111} surface -: art. no. 205411
– Physical Review B
(2004)
69,
205411
(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,
136104
Insight into H2O-ice adsorption and dissociation on metal surfaces from first-principles simulations -: art. no. 113404
– Physical Review B
(2004)
69,
113404
(doi: 10.1103/physrevb.69.113404)
First-principles study of H2O diffusion on a metal surface:: H2O on Al{100} -: art. no. 075409
– Physical Review B
(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 - Condensed Matter and Materials Physics
(2003)
68,
075413
(doi: 10.1103/PhysRevB.68.075413)
Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption onW{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
– Journal of the American Chemical Society
(2003)
125,
2746
(doi: 10.1021/ja028855u)