Department of Chemistry

Ali Alavi Publications (2003)


Reconstruction of charged surfaces: General trends and a case study of Pt(110) and Au(110)
Lozovoi AY, Alavi A
PHYS REV B, 2003-12, 24, -. DOI: 10.1103/PhysRevB.68.245416


Resolution of an ancient surface science anomaly: work function change induced by N adsorption on W [100].
Michaelides A, Hu P, Lee MH, Alavi A, King DA
Phys Rev Lett, 2003, 24, 246103-.


Where do the H atoms reside in PdHx systems?
Caputo R, Alavi A
MOL PHYS, 2003, 11, 1781-1787. DOI: 10.1080/0026897031000094489


Adsorption energies and geometries of phenol on the (111) surface of nickel: An ab initio study
Delle Site L, Alavi A, Abrams CF
PHYS REV B, 2003, 19, -. DOI: 10.1103/PhysRevB.67.193406


New insights into ethene epoxidation on two oxidized Ag {111} surfaces
Bocquet ML, Michaelides A, Loffreda D, Sautet P, Alavi A, King DA
J AM CHEM SOC, 2003, 19, 5620-5621. DOI: 10.1021/ja0297741


Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces.
Michaelides A, Liu ZP, Zhang CJ, Alavi A, King DA, Hu P
J Am Chem Soc, 2003, 13, 3704-3705. DOI: 10.1021/ja027366r


Different surface chemistries of water on Ru{0001}: From monomer adsorption to partially dissociated bilayers
Michaelides A, Alavi A, King DA
J AM CHEM SOC, 2003, 9, 2746-2755. DOI: 10.1021/ja028855u


Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{111}
Michaelides A, Bocquet ML, Sautet P, Alavi A, King DA
CHEM PHYS LETT, 2003, 03-Apr, 344-350.


Evaluation of diffusion mechanisms in NiAl by embedded-atom and first-principles calculations
Mishin Y, Lozovoi AY, Alavi A
PHYS REV B, 2003, 1, -. DOI: 10.1103/PhysRevB.67.014201


Erratum: Two interacting electrons in a spherical box: An exact diagonalization study (Physical Review B (2002) 66 (235118))
Thompson DC, Alavi A
Physical Review B - Condensed Matter and Materials Physics, 2003, 3, 399011-399012.