Enhancing the oxygen vacancy formation and migration in bulk chromium(iii) oxide by alkali metal doping: a change from isotropic to anisotropic oxygen diffusion

Dissociative adsorption of methane on the Cu and Zn doped (111) surface of CeO 2

(2016) John J. Carey et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Ionic conductivity of Nd 3+ and Y 3+ co-doped ceria solid electrolytes for intermediate temperature solid oxide fuel cells

(2016) Sushobhan Kobi et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Low Valence Cation Doping of Bulk Cr2O3: Charge Compensation and Oxygen Vacancy Formation

(2016) John J. Carey et al.   Journal of Physical Chemistry C

Oxygen diffusion in ThO2–CeO2 and ThO2–UO2 solid solutions from atomistic calculations

(2016) Dilpuneet S. Aidhy   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Cation doping size effect for methane activation on alkaline earth metal doping of the CeO2 (111) surface

(2016) J. J. Carey et al.   Catalysis Science & Technology

Gadolinium-Vacancy Clusters in the (111) Surface of Gadolinium-Doped Ceria: A Density Functional Theory Study

(2015) Xavier Aparicio-Anglès et al.   CHEMISTRY OF MATERIALS

Effect of Nitrogen and Fluorine Co-substitution on the Structure and Magnetic Properties of Cr2O3

(2015) Jaysree Pan et al.   CHEMPHYSCHEM

Molecular dynamics simulations of vacancy diffusion in chromium(III) oxide, hematite, magnetite and chromite

(2015) Jukka Vaari   SOLID STATE IONICS

Structural, Optical and Magnetic Properties of Fe Doped Cr2O3 Nanoparticles

(2014) Shaheen Goel et al.  

The nature of oxygen states on the surfaces of CeO2 and La-doped CeO2

(2014) Patrick R.L. Keating et al.   CHEMICAL PHYSICS LETTERS

Structural, Magnetic, Electronic, Defect, and Diffusion Properties of Cr2O3: A DFT+U Study

(2014) François Lebreau et al.   Journal of Physical Chemistry C

Effect of Chemical Precursors On the Optical and Electrical Properties of p-Type Transparent Conducting Cr2O3:(Mg,N)

(2013) Elisabetta Arca et al.   Journal of Physical Chemistry C

Chemical expansion and its dependence on the host cation radius

(2013) Dario Marrocchelli et al.   Journal of Materials Chemistry A

Sensing behaviour of tin doped chromium oxide gas sensor toward ethanol

(2012) Nipin Kohli et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Improvement of electromigration reliability and diffusion of Cu films using coherent Cu(111)/Cr2O3(0001) interfaces

(2012) M.X. Xiao et al.   CHEMICAL PHYSICS LETTERS

Anisotropic Oxygen Ion Diffusion in Layered PrBaCo2O5+δ

(2012) Mónica Burriel et al.   CHEMISTRY OF MATERIALS

Nonaqueous Synthesis of TiO2 Nanocrystals Using TiF4 to Engineer Morphology, Oxygen Vacancy Concentration, and Photocatalytic Activity

(2012) Thomas R. Gordon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT method

(2012) Frank Maldonado et al.   PHYSICA B-CONDENSED MATTER

Effects of Cr2O3 modification on the performance of SnO2 electrodes in DSSCs

(2012) Seo-Yeong Choi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational testing of trivalent dopants in CeO2for improved high-κ dielectric behaviour

(2012) Patrick R. L. Keating et al.   Journal of Materials Chemistry C

Magnesium, nitrogen codoped Cr2O3: A p-type transparent conducting oxide

(2011) E. Arca et al.   APPLIED PHYSICS LETTERS

Ab initio calculation of chromium oxide containing Ti dopant

(2011) Frank Maldonado et al.   CHEMICAL PHYSICS

Role of Lattice Distortions in the Oxygen Storage Capacity of Divalently Doped CeO2

(2011) Aoife B. Kehoe et al.   CHEMISTRY OF MATERIALS

Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: mechanistic insights from atomistic simulations

(2011) Alexander Chroneos et al.   Energy & Environmental Science

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

Enhanced oxygen vacancy formation in ceria (111) and (110) surfaces doped with divalent cations

(2011) Michael Nolan   JOURNAL OF MATERIALS CHEMISTRY

Charge Compensation and Ce3+ Formation in Trivalent Doping of the CeO2(110) Surface: The Key Role of Dopant Ionic Radius

(2011) Michael Nolan   Journal of Physical Chemistry C

Electronic Structure and Reactivity of Ce- and Zr-Doped TiO2: Assessing the Reliability of Density Functional Theory Approaches

(2011) Anna Iwaszuk et al.   Journal of Physical Chemistry C

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

Organic solar cells with p-type amorphous chromium oxide thin film as hole-transporting layer

(2011) Pingli Qin et al.   THIN SOLID FILMS

Oxygen vacancy migration in ceria and Pr-doped ceria: A DFT+U study

(2010) Pratik P. Dholabhai et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrogen doped amorphous chromium oxide: Stability improvement and application for the hole-transporting layer of organic solar cells

(2010) Pingli Qin et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Production of Synthesis Gas from Methane Using Lattice Oxygen of NiO−Cr2O3−MgO Complex Oxide

(2009) O. Nakayama et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Protective coatings for Cr2O3-forming interconnects of solid oxide fuel cells

(2009) Y. Liu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Polaronic trapping of electrons and holes by native defects in anataseTiO2

(2009) Benjamin J. Morgan et al.   PHYSICAL REVIEW B

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS