4.3 Article Proceedings Paper

A GGA plus U study of the reduction of ceria surfaces and their partial reoxidation through NO2 adsorption

Related references

Note: Only part of the references are listed.
Software Review Chemistry, Multidisciplinary

VESTA:: a three-dimensional visualization system for electronic and structural analysis

Koichi Momma et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2008)

Article Chemistry, Physical

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)

Article Chemistry, Physical

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)

Article Chemistry, Physical

A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface

Benjamin J. Morgan et al.

SURFACE SCIENCE (2007)

Article Chemistry, Physical

Hole localization in al doped silica:: A DFT+U description

Michael Nolan et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Reduction of NO2 on ceria surfaces

M Nolan et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Article Chemistry, Physical

CeO2 catalysed conversion of CO, NO2 and NO from first principles energetics

M Nolan et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Electronic and atomistic structures of clean and reduced ceria surfaces

S Fabris et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Materials Science, Multidisciplinary

Taming multiple valency with density functionals: A case study of defective ceria

S Fabris et al.

PHYSICAL REVIEW B (2005)

Article Chemistry, Physical

The (010) surface of alpha-MoO3, a DFT+U study

R Coquet et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Redox properties of water on the oxidized and reduced surfaces of CeO2(111)

MA Henderson et al.

SURFACE SCIENCE (2003)

Article Chemistry, Physical

Coverage dependent dissociation of NO on Rh supported on cerium oxide thin films

DR Mullins et al.

SURFACE SCIENCE (2002)

Article Chemistry, Physical

Ultrathin ordered CeO2 overlayers on Pt(111):: interaction with NO2, NO, H2O and CO

U Berner et al.

SURFACE SCIENCE (2000)

Article Chemistry, Physical

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)