The adsorption of Cu on the CeO2(110) surface

Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation

(2016) Zhong-Kang Han et al.   CHEMISTRY-A EUROPEAN JOURNAL

Identification of different coordination geometries by XAFS in copper(II) complexes with trimesic acid

(2016) A. Gaur et al.   JOURNAL OF MOLECULAR STRUCTURE

In Situ and Theoretical Studies for the Dissociation of Water on an Active Ni/CeO2Catalyst: Importance of Strong Metal-Support Interactions for the Cleavage of O-H Bonds

(2015) Javier Carrasco et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

In situ spectroscopy studies of CO2 adsorption in a dually functionalized microporous metal–organic framework

(2015) Yuan Chen et al.   Journal of Materials Chemistry A

Theoretical Model of Oxidative Adsorption of Water on a Highly Reduced Reconstructed Oxide Surface

(2014) Nathan Z. Koocher et al.   Journal of Physical Chemistry Letters

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

(2013) Joachim Paier et al.   CHEMICAL REVIEWS

Carbon dioxide activation and dissociation on ceria (110): A density functional theory study

(2013) Zhuo Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles investigation of transition metal atom M (M = Cu, Ag, Au) adsorption on CeO2(110)

(2012) Lixia Cui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

New insight into mechanisms in water-gas-shift reaction on Au/CeO2(111): A density functional theory and kinetic study

(2011) Ying Chen et al.   FARADAY DISCUSSIONS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

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

Electronic states of metal (Cu, Ag, Au) atom on CeO2(111) surface: The role of local structural distortion

(2011) Yuanhao Tang et al.   JOURNAL OF POWER SOURCES

Ceria supported group IB metal catalysts for the combustion of volatile organic compounds and the preferential oxidation of CO

(2010) Salvatore Scirè et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Thermodynamic, electronic and structural properties of Cu/CeO2 surfaces and interfaces from first-principles DFT+U calculations

(2010) Lucie Szabová et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Theory Study of the Interaction of Cu, Ag, and Au Atoms with the Regular CeO2 (111) Surface

(2010) María Marta Branda et al.   Journal of Physical Chemistry C

On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO[sub 2](111)

(2009) María Marta Branda et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation

(2009) Norge C. Hernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

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

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Redox Behavior of the Model Catalyst Pd/CeO2−x/Pt(111)

(2008) E. L. Wilson et al.   Journal of Physical Chemistry C