Communication: Different behavior of Young's modulus and fracture strength of CeO2: Density functional theory calculations

Alkali Metal Poisoning of a CeO2–WO3 Catalyst Used in the Selective Catalytic Reduction of NOx with NH3: an Experimental and Theoretical Study

(2012) Yue Peng et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Dense yttria-stabilised zirconia electrolyte layers for SOFC by reactive magnetron sputtering

(2012) R. Nédélec et al.   JOURNAL OF POWER SOURCES

Communication: The reason why +c ZnO surface is less stable than −c ZnO surface: First-principles calculation

(2011) Seitaro Ito et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanical properties of ceria nanorods and nanochains; the effect of dislocations, grain-boundaries and oriented attachment

(2011) Thi X. T. Sayle et al.   Nanoscale

Density functional theory study on quasi-three-dimensional oxidized platinum surface: phase transition between α-PtO2-like and β-PtO2-like structures

(2011) Tomomi Shimazaki et al.   THEORETICAL CHEMISTRY ACCOUNTS

Quantum Chemistry Study of Surface Structure Effects on Secondary Electron Emission in MgO Protecting Layers for Plasma Displays

(2010) Kazumi Serizawa et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Ab initio DFT + U predictions of tensile properties of iron oxides

(2010) Peilin Liao et al.   JOURNAL OF MATERIALS CHEMISTRY

Ab initio elastic properties and tensile strength of crystalline hydroxyapatite

(2009) W.Y. Ching et al.   Acta Biomaterialia

Materials for Solid Oxide Fuel Cells†

(2009) Allan J. Jacobson   CHEMISTRY OF MATERIALS

Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation

(2009) Marco Fronzi et al.   JOURNAL OF CHEMICAL PHYSICS

Study of Carbon Monoxide Oxidation on CeO2(111) Using Ultra Accelerated Quantum Chemical Molecular Dynamics

(2009) Md. Khorshed Alam et al.   Journal of Physical Chemistry C

Dynamics of Hydrogen Spillover on Pt/γ-Al2O3 Catalyst Surface: A Quantum Chemical Molecular Dynamics Study

(2009) Farouq Ahmed et al.   Journal of Physical Chemistry C

Enhanced gas-sensing behaviour of Ru-doped SnO2 surface: A periodic density functional approach

(2009) Zhigang Zhu et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation

(2009) Marco Fronzi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study on defect chemistry and migration of oxide ions in ceria doped with rare-earth cations

(2009) Masanobu Nakayama et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanical and electronic properties ofCeO2,ThO2, and(Ce,Th)O2alloys

(2009) C. Sevik et al.   PHYSICAL REVIEW B

Atomistic simulations of mechanical properties of graphene nanoribbons

(2009) Hao Bu et al.   PHYSICS LETTERS A

Design of Electroceramics for Solid Oxides Fuel Cell Applications: Playing with Ceria

(2008) Vincenzo Esposito et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Ab initio LDA+U prediction of the tensile properties of chromia across multiple length scales

(2008) Nicholas J. Mosey et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE

Electrical conductivity of doubly doped ceria

(2008) W ZAJAC   SOLID STATE IONICS