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, 40, -. 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
2003, 59, 246103 -.


Where do the H atoms reside in PdHx systems?
Caputo R, Alavi A
MOL PHYS 2003, 16, 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, 26, -. 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, 70, 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
2003, 123, 3704-3705. DOI: 10.1021/ja027366r


Different surface chemistries of water on Ru{0001}: Fromonomer adsorption to partially dissociated bilayers
Michaelides A, Alavi A, King DA
J AM CHEM SOC 2003, 113, 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, 58, 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, 41, -. 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, 68, 399011-399012.