The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain

Unraveling the oxygen vacancy structures at the reduced CeO2(111) surface

(2018) Zhong-Kang Han et al.   PHYSICAL REVIEW MATERIALS

Influence of composition and oxygen-vacancy ordering on lattice parameter and elastic moduli of Ce1-Gd O2-/2: A theoretical study

(2018) Pjotrs A. Žguns et al.   SCRIPTA MATERIALIA

Reply to “Comment on ‘Oxygen Vacancy Ordering and Electron Localization in CeO2: Hybrid Functional Study’”

(2017) Xiaoping Han et al.   Journal of Physical Chemistry C

Surface Stabilizes Ceria in Unexpected Stoichiometry

(2017) Reinhard Olbrich et al.   Journal of Physical Chemistry C

Fundamentals and Catalytic Applications of CeO2-Based Materials

(2016) Tiziano Montini et al.   CHEMICAL REVIEWS

Association of defects in doped non-stoichiometric ceria from first principles

(2016) Steffen Grieshammer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Origins and implications of the ordering of oxygen vacancies and localized electrons on partially reducedCeO2(111)

(2015) Jonathan E. Sutton et al.   PHYSICAL REVIEW B

Volume-dependent electron localization in ceria

(2015) Sergiu Arapan et al.   PHYSICAL REVIEW B

Edge dislocation slows down oxide ion diffusion in doped CeO2 by segregation of charged defects

(2015) Lixin Sun et al.   Nature Communications

Chemical Strain and Point Defect Configurations in Reduced Ceria

(2014) Bu Wang et al.   CHEMISTRY OF MATERIALS

High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K)

(2014) Cristina Artini et al.   INORGANIC CHEMISTRY

Occupation matrix control of d- and f-electron localisations using DFT + U

(2014) Jeremy P. Allen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and morphological modifications of thermally reduced cerium oxide ultrathin epitaxial films on Pt(111)

(2014) P. Luches et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ordering of oxygen vacancies and excess charge localization in bulk ceria: ADFT+Ustudy

(2014) G. E. Murgida et al.   PHYSICAL REVIEW B

Oxygen Vacancies versus Fluorine atCeO2(111): A Case of Mistaken Identity?

(2014) J. Kullgren et al.   PHYSICAL REVIEW LETTERS

Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment

(2013) Joachim Paier et al.   CHEMICAL REVIEWS

Ordered Phases of Reduced Ceria As Epitaxial Films on Cu(111)

(2013) Tomáš Duchoň et al.   Journal of Physical Chemistry C

Activation Volume Tensor for Oxygen-Vacancy Migration in StrainedCeO2Electrolytes

(2013) J. Hinterberg et al.   PHYSICAL REVIEW LETTERS

Evidence for Subsurface Ordering of Oxygen Vacancies on the ReducedCeO2(111)Surface Using Density-Functional and Statistical Calculations

(2013) Gustavo E. Murgida et al.   PHYSICAL REVIEW LETTERS

Many competing ceria (110) oxygen vacancy structures: From small to large supercells

(2012) Jolla Kullgren et al.   JOURNAL OF CHEMICAL PHYSICS

Strain Modulation of Defect Structure in Gadolinia-Doped Ceria

(2012) Bu Wang et al.   Journal of Physical Chemistry C

Modifying the barriers for oxygen-vacancy migration in fluorite-structured CeO2electrolytes through strain: a computer simulation study

(2011) Roger A. De Souza et al.   Energy & Environmental Science

Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles

(2011) Georgi N. Vayssilov et al.   NATURE MATERIALS

Electron Localization in Defective Ceria Films: A Study with Scanning-Tunneling Microscopy and Density-Functional Theory

(2011) Jan-Frederik Jerratsch et al.   PHYSICAL REVIEW LETTERS

Charge distribution near bulk oxygen vacancies in cerium oxides

(2010) E Shoko et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Surface anion vacancies on ceria: Quantum modelling of mutual interactions and oxygen adsorption

(2009) José C. Conesa   CATALYSIS TODAY

Intrinsic ferromagnetism in CeO2: dispelling the myth of vacancy site localization mediated superexchange

(2009) P R L Keating et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Multiple configurations of the two excess4felectrons on defectiveCeO2(111): Origin and implications

(2009) Hui-Ying Li et al.   PHYSICAL REVIEW B

Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization onCeO2(111)

(2009) M. Verónica Ganduglia-Pirovano et al.   PHYSICAL REVIEW LETTERS