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Currently displaying 221 - 240 of 274 publications

Experimental and theoretical study of oxygen adsorption structures on Ag(111)

J Schnadt, J Knudsen, XL Hu, A Michaelides, RT Vang, K Reuter, Z Li, E Lægsgaard, M Scheffler, F Besenbacher

– Physical Review B

(2009)

80,

075424

(doi: 10.1103/PhysRevB.80.075424)

Stone-Wales defects in graphene and other planarsp2-bonded materials

J Ma, D Alfè, A Michaelides, E Wang

– Physical Review B - Condensed Matter and Materials Physics

(2009)

80,

033407

(doi: 10.1103/physrevb.80.033407)

Local investigation of femtosecond laser induced dynamics of water nanoclusters on Cu(111)

M Mehlhorn, J Carrasco, A Michaelides, K Morgenstern

– Physical review letters

(2009)

103,

026101

(doi: 10.1103/PhysRevLett.103.026101)

Interfacial water: a first principles molecular dynamics study of a nanoscale water film on salt.

L-M Liu, M Krack, A Michaelides

– J Chem Phys

(2009)

130,

234702

(doi: 10.1063/1.3152845)

Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces.

J Carrasco, A Michaelides, M Scheffler

– The Journal of chemical physics

(2009)

130,

184707

(doi: 10.1063/1.3125002)

Anchoring sites for initial Au nucleation on ceo₂{111}: o vacancy versus ce vacancy

C Zhang, A Michaelides, DA King, SJ Jenkins

– Journal of Physical Chemistry C

(2009)

113,

6411

(doi: 10.1021/jp810093a)

The water-benzene interaction: Insight from electronic structure theories

J Ma, D Alfè, A Michaelides, E Wang

– The Journal of Chemical Physics

(2009)

130,

154303

(doi: 10.1063/1.3111035)

Anchoring Sites for Initial Au Nucleation on CeO2{111}: O Vacancy versus Ce Vacancy

CJ Zhang, A Michaelides, DA King, SJ Jenkins

– The Journal of Physical Chemistry C

(2009)

113,

6411

(doi: 10.1021/jp810093a)

A one-dimensional ice structure built from pentagons

J Carrasco, A Michaelides, M Forster, S Haq, R Raval, A Hodgson

– Nature materials

(2009)

427

(doi: 10.1038/nmat2403)

Oxygen vacancy clusters on ceria: Decisive role of cerium f electrons

C Zhang, A Michaelides, DA King, SJ Jenkins

– Physical Review B - Condensed Matter and Materials Physics

(2009)

79,

(doi: 10.1103/PhysRevB.79.075433)

Oxygen vacancy clusters on ceria: Decisive role of ceriumfelectrons

CJ Zhang, A Michaelides, DA King, SJ Jenkins

– Physical Review B

(2009)

79,

075433

(doi: 10.1103/physrevb.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

(doi: 10.1039/b807377p)

How strong is the bond between water and salt?

B Li, A Michaelides, M Scheffler

– Surface Science

(2008)

602,

l135

(doi: 10.1016/j.susc.2008.09.039)

Structure of gold atoms on stoichiometric and defective ceria surfaces.

C Zhang, A Michaelides, DA King, SJ Jenkins

– Journal of Chemical Physics

(2008)

129,

194708

(doi: 10.1063/1.3009629)

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

– J Chem Phys

(2008)

129,

194111

(doi: 10.1063/1.3012573)

Surface energy and surface proton order of ice Ih.

D Pan, L-M Liu, GA Tribello, B Slater, A Michaelides, E Wang

– Phys Rev Lett

(2008)

101,

155703