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  • Currently displaying 241 - 260 of 274 publications
Author(s)
Publication title
Journal Name
Publication year
Ice formation on kaolinite: Lattice match or amphoterism?
XL Hu, A Michaelides
Surface Science
(2007)
601
Asset pricing with limited risk sharing and heterogeneous agents
F Gomes, A Michaelides
Review of Financial Studies
(2007)
21
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.
B Santra, A Michaelides, M Scheffler
Journal of Chemical Physics
(2007)
127
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)
A Michaelides
Surface Science
(2007)
601
Simulating ice nucleation, one molecule at a time, with the 'DFT microseope'
A Michaelides
Faraday Discussions
(2007)
136
Density functional theory study of flat and stepped NaCl(001)
B Li, A Michaelides, M Scheffler
Physical Review B Condensed Matter and Materials Physics
(2007)
76
Ice nanoclusters at hydrophobic metal surfaces
A Michaelides, K Morgenstern
Nat Mater
(2007)
6
Density functional theory simulations of water–metal interfaces: waltzing waters, a novel 2D ice phase, and more
A Michaelides
Applied Physics A
(2006)
85
"textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces
B Li, A Michaelides, M Scheffler
Phys Rev Lett
(2006)
97
Revisiting the structure of the p(4 x 4) surface oxide on Ag(111).
J Schnadt, A Michaelides, J Knudsen, RT Vang, K Reuter, E Laegsgaard, M Scheffler, F Besenbacher
Physical review letters
(2006)
96
EXPLORING THE CATALYTIC ACTIVITY OF A NOBLE METAL: THE Ag CATALYZED ETHYLENE EPOXIDATION REACTION
ML Bocquet, A Michaelides
(2006)
When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?
A Michaelides, K Reuter, M Scheffler
Journal of Vacuum Science & Technology A Vacuum Surfaces and Films
(2005)
23
Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory -: art. no. 116101
J Cerdá, A Michaelides, M-L Bocquet, PJ Feibelman, T Mitsui, M Rose, E Fomin, M Salmeron
Physical Review Letters
(2004)
93
Density functional theory study of the interaction of monomeric water with the Ag{111} surface
VA Ranea, A Michaelides, R Ramirez, JA Verges, PL de Andres, DA King
Physical Review B
(2004)
69
Water dimer diffusion on Pd[111] assisted by an H-bond donor-acceptor tunneling exchange.
VA Ranea, A Michaelides, R Ramírez, PL de Andres, JA Vergés, DA King
Physical Review Letters
(2004)
92
Insight into H2O-ice adsorption and dissociation on metal surfaces from first-principles simulations -: art. no. 113404
A Michaelides, A Alavi, DA King
Physical Review B Condensed Matter and Materials Physics
(2004)
69
First-principles study of H2O diffusion on a metal surface: H2O on Al{100}
A Michaelides, VA Ranea, PL de Andres, DA King
Physical Review B Condensed Matter and Materials Physics
(2004)
69
Initial stages in the oxidation and reduction of the4×4surface oxide phase on Ag{111}: A combined density-functional theory and STM simulation study
ML Bocquet, A Michaelides, P Sautet, DA King
Physical Review B Condensed Matter and Materials Physics
(2003)
68
Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on [Formula presented]
A Michaelides, P Hu, M-H Lee, A Alavi, DA King
Physical Review Letters
(2003)
90
General model for water monomer adsorption on close-packed transition and noble metal surfaces.
A Michaelides, VA Ranea, PL de Andres, DA King
Physical review letters
(2003)
90