Related references
Note: Only part of the references are listed.VESTA:: a three-dimensional visualization system for electronic and structural analysis
Koichi Momma et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2008)
Electronic, energetic, and chemical effects of intrinsic defects and Fe-doping of CoAl2O4:: A DFT+U study
Aron Walsh et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
An ab initio study of reduction of V2O5 through the formation of oxygen vacancies and Li intercalation
David O. Scanlon et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface
Benjamin J. Morgan et al.
SURFACE SCIENCE (2007)
Surface sensitivity in lithium-doping of MgO: A density functional theory study with correction for on-site Coulomb interactions
David O. Scanlon et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Hole localization in al doped silica:: A DFT+U description
Michael Nolan et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Reduction of NO2 on ceria surfaces
M Nolan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
CeO2 catalysed conversion of CO, NO2 and NO from first principles energetics
M Nolan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Electronic and atomistic structures of clean and reduced ceria surfaces
S Fabris et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
M Nolan et al.
SURFACE SCIENCE (2005)
Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria
M Nolan et al.
SURFACE SCIENCE (2005)
Taming multiple valency with density functionals: A case study of defective ceria
S Fabris et al.
PHYSICAL REVIEW B (2005)
The (010) surface of alpha-MoO3, a DFT+U study
R Coquet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
The dynamic behaviour of CH3OH and NO2 adsorbed on CeO2(111) studied by noncontact atomic force microscopy
Y Namai et al.
NANOTECHNOLOGY (2004)
Redox properties of water on the oxidized and reduced surfaces of CeO2(111)
MA Henderson et al.
SURFACE SCIENCE (2003)
Coverage dependent dissociation of NO on Rh supported on cerium oxide thin films
DR Mullins et al.
SURFACE SCIENCE (2002)
Ultrathin ordered CeO2 overlayers on Pt(111):: interaction with NO2, NO, H2O and CO
U Berner et al.
SURFACE SCIENCE (2000)
Chemistry of NO2 on CeO2 and MgO:: Experimental and theoretical studies on the formation of NO3
JA Rodriguez et al.
JOURNAL OF CHEMICAL PHYSICS (2000)