Superiority of DFT+U with non-linear core correction for open-shell binary rare-earth metal oxides: a case study of native point defects in cerium oxides

Ab initioanalysis of the defect structure of ceria

(2013) T. Zacherle et al.   PHYSICAL REVIEW B

Nature of the electronic band gap in lanthanide oxides

(2013) Roland Gillen et al.   PHYSICAL REVIEW B

Electronic properties of lanthanide oxides from theGWperspective

(2012) Hong Jiang et al.   PHYSICAL REVIEW B

Electrode engineering for improving resistive switching performance in single crystalline CeO2 thin films

(2012) Zhaoliang Liao et al.   SOLID-STATE ELECTRONICS

Analysis of Intrinsic Defects in CeO2 Using a Koopmans-Like GGA+U Approach

(2011) Patrick R. L. Keating et al.   Journal of Physical Chemistry C

B3LYP calculations of cerium oxides

(2010) Jolla Kullgren et al.   JOURNAL OF CHEMICAL PHYSICS

Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations

(2010) Benjamin J. Morgan et al.   Journal of Physical Chemistry C

Role of Ceria in Oxidative Dehydrogenation on Supported Vanadia Catalysts

(2010) Maria Veronica Ganduglia-Pirovano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic properties of Pt cluster-decorated CeO2 nanostructures

(2010) Feng Lin et al.   Nano Research

Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors

(2009) Stephan Lany et al.   PHYSICAL REVIEW B

Enhanced Activity for CO Oxidation over Pr- and Cu-Doped CeO2 Catalysts: Effect of Oxygen Vacancies

(2008) Zhi-Ying Pu et al.   Journal of Physical Chemistry C

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

(2008) Stephan Lany et al.   PHYSICAL REVIEW B