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

Conversion of Methane and Carbon Dioxide to Higher Value Products

(2011) Vesna Havran et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

CO2 adsorption on TiO2(110) rutile: Insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments

(2011) Dan C. Sorescu et al.   JOURNAL OF CHEMICAL PHYSICS

CO2 adsorption on TiO2(101) anatase: A dispersion-corrected density functional theory study

(2011) Dan C. Sorescu et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of Dopants on the Energy of Oxygen-Vacancy Formation at the Surface of Ceria: Local or Global?

(2011) Zhenpeng Hu et al.   Journal of Physical Chemistry C

A dipole polarizable potential for reduced and doped CeO2obtained from first principles

(2011) Mario Burbano et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

CO2 adsorption on calcium oxide: An atomic-scale simulation study

(2011) R. Besson et al.   SURFACE SCIENCE

Direct CO Oxidation by Lattice Oxygen on Zr-Doped Ceria Surfaces

(2010) Zongxian Yang et al.   CATALYSIS LETTERS

Hybrid density functional theory description of oxygen vacancies in the CeO2 (110) and (100) surfaces

(2010) Michael Nolan   CHEMICAL PHYSICS LETTERS

CO2 activation on single crystal based ceria and magnesia/ceria model catalysts

(2010) Y. Lykhach et al.   EUROPEAN PHYSICAL JOURNAL B

Ceria reoxidation by CO2: A model study

(2010) T. Staudt et al.   JOURNAL OF CATALYSIS

A Theoretical Study of CO2 Anions on Anatase (101) Surface

(2010) Haiying He et al.   Journal of Physical Chemistry C

Ceria Maintains Smaller Metal Catalyst Particles by Strong Metal-Support Bonding

(2010) J. A. Farmer et al.   SCIENCE

Opportunities and prospects in the chemical recycling of carbon dioxide to fuels

(2009) Gabriele Centi et al.   CATALYSIS TODAY

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

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

Molecular Adsorption on the Doped (110) Ceria Surface

(2009) Michael Nolan   Journal of Physical Chemistry C

A GGA+Ustudy of the reduction of ceria surfaces and their partial reoxidation through NO2adsorption

(2009) Natasha M. Galea et al.   MOLECULAR SIMULATION

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

Oxygen vacancy pairs on CeO2(110): A DFT+U study

(2009) Zongxian Yang et al.   PHYSICS LETTERS A

Oxygen exchange mechanism between isotopic CO2 and Pt/CeO2

(2008) A. Bueno-López et al.   APPLIED CATALYSIS A-GENERAL

Electrocatalytic and homogeneous approaches to conversion of CO2to liquid fuels

(2008) Eric E. Benson et al.   CHEMICAL SOCIETY REVIEWS

Vacancy formation and CO adsorption on gold-doped ceria surfaces

(2008) Michael Nolan et al.   SURFACE SCIENCE

The electronic and reduction properties of Ce0.75Zr0.25O2(110)

(2007) Zongxian Yang et al.   CHEMICAL PHYSICS LETTERS