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  • Currently displaying 201 - 220 of 244 publications
Oxygen vacancy clusters on ceria: Decisive role of ceriumfelectrons
CJ Zhang, A Michaelides, DA King, SJ Jenkins
– Physical Review B
(2009)
79,
075433
On thin ice: surface order and disorder during pre-melting
CL Bishop, D Pan, LM Liu, GA Tribello, A Michaelides, EG Wang, B Slater
– Faraday discussions
(2009)
141,
277
How strong is the bond between water and salt?
B Li, A Michaelides, M Scheffler
– Surface Science
(2008)
602,
L135
Structure of gold atoms on stoichiometric and defective ceria surfaces.
C Zhang, A Michaelides, DA King, SJ Jenkins
– The Journal of chemical physics
(2008)
129,
194708
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions
B Santra, A Michaelides, M Fuchs, A Tkatchenko, C Filippi, M Scheffler
– The Journal of chemical physics
(2008)
129,
194111
Surface energy and surface proton order of ice Ih
D Pan, L-M Liu, GA Tribello, B Slater, A Michaelides, E Wang
– Physical review letters
(2008)
101,
155703
Manipulation and control of hydrogen bond dynamics in absorbed ice nanoclusters
H Gawronski, J Carrasco, A Michaelides, K Morgenstern
– Phys Rev Lett
(2008)
101,
136102
Water, water everywhere?
A Michaelides
– Chemistry World
(2008)
5,
36
Density oscillations in a nanoscale water film on salt: insight from ab initio molecular dynamics.
L Liu, M Krack, A Michaelides
– Journal of the American Chemical Society
(2008)
130,
8572
Water on the hydroxylated (001) surface of kaolinite: From monomer adsorption to a flat 2D wetting layer
XL Hu, A Michaelides
– Surface Science
(2008)
602,
960
Ice formation on kaolinite: Lattice match or amphoterism?
XL Hu, A Michaelides
– Surface Science
(2007)
601,
5378
Asset Pricing with Limited Risk Sharing and Heterogeneous Agents
F Gomes, A Michaelides
– Review of Financial Studies
(2007)
21,
415
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
– The Journal of Chemical Physics
(2007)
127,
184104
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,
3529
Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope’
A Michaelides
– Faraday Discuss
(2007)
136,
287
Density functional theory study of flat and stepped NaCl(001)
B Li, A Michaelides, M Scheffler
– Physical Review B
(2007)
76,
075401
Ice nanoclusters at hydrophobic metal surfaces
A Michaelides, K Morgenstern
– Nature materials
(2007)
6,
597
Density functional theory simulations of water-metal interfaces: Waltzing waters, a novel 2D ice phase, and more
A Michaelides
– Applied Physics A: Materials Science and Processing
(2006)
85,
415
"textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces
B Li, A Michaelides, M Scheffler
– Phys Rev Lett
(2006)
97,
046802
Revisiting the structure of the p(4×4) 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,
146101