Heteroatom doping effects on interaction of H2O and CeO2 (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion

Low-Temperature Heterogeneous Catalytic Reaction by Surface Protonics

(2019) Maki Torimoto et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Steam reforming of dimethyl ether promoted by surface protonics in an electric field

(2018) Reona Inagaki et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Evaluating surface protonic transport on cerium oxide via electrochemical impedance spectroscopy measurement

(2018) Ryo Manabe et al.   SOLID STATE COMMUNICATIONS

CO2 and water activation on ceria nanocluster modified TiO2 rutile (110)

(2018) Stephen Rhatigan et al.   Journal of Materials Chemistry A

Oxygen Vacancy Promoting Dimethyl Carbonate Synthesis from CO2 and Methanol over Zr-Doped CeO2 Nanorods

(2018) Bin Liu et al.   ACS Catalysis

Elucidating the Role of Support Oxygen in the Water–Gas Shift Reaction over Ceria-Supported Gold Catalysts Using Operando Spectroscopy

(2018) Christian Schilling et al.   ACS Catalysis

Fluorine impurities at CeO2(111): Effects on oxygen vacancy formation, molecular adsorption, and surface re-oxidation

(2017) Matthew J. Wolf et al.   JOURNAL OF CHEMICAL PHYSICS

Stable Pd-Doped Ceria Structures for CH4 Activation and CO Oxidation

(2017) Ya-Qiong Su et al.   ACS Catalysis

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

Surface Protonics Promotes Catalysis

(2016) R. Manabe et al.   Scientific Reports

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

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

Kinetics and Thermodynamics of H2O Dissociation on Reduced CeO2(111)

(2014) Heine A. Hansen et al.   Journal of Physical Chemistry C

Ceria co-doping: synergistic or average effect?

(2014) Mario Burbano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Proton Conduction in Dense and Porous Nanocrystalline Ceria Thin Films

(2013) Giuliano Gregori et al.   ADVANCED FUNCTIONAL MATERIALS

Low temperature hydrogen production by catalytic steam reforming of methane in an electric field

(2013) Kazumasa Oshima et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

DFT+U Study on the Localized Electronic States and Their Potential Role During H2O Dissociation and CO Oxidation Processes on CeO2(111) Surface

(2013) Yang-Gang Wang et al.   Journal of Physical Chemistry C

Effect of Mg, Ca, and Sr on CeO2 Based Catalysts for the Oxidative Coupling of Methane: Investigation on the Oxygen Species Responsible for Catalytic Performance

(2012) Víctor J. Ferreira et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Periodic trends of oxygen vacancy formation and C–H bond activation over transition metal-doped CeO2 (111) surfaces

(2012) Matthew D. Krcha et al.   JOURNAL OF CATALYSIS

Insight into the Adsorption of Water on the Clean CeO2(111) Surface with van der Waals and Hybrid Density Functionals

(2012) Delia Fernández-Torre et al.   Journal of Physical Chemistry C

Oxygen vacancy formation in CeO2 and Ce1−xZrxO2 solid solutions: electron localization, electrostatic potential and structural relaxation

(2012) Hai-Feng Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Low temperature steam reforming of methane over metal catalyst supported on CexZr1−xO2 in an electric field

(2011) Yasushi Sekine et al.   CATALYSIS TODAY

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

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

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

Oxygen vacancy formation and migration in Ce1−xZrxO2 catalyst: A DFT+U calculation

(2010) Hsin-Tsung Chen et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

The Effect of Environment on the Reaction of Water on the Ceria(111) Surface: A DFT+U Study

(2010) Zongxian Yang et al.   Journal of Physical Chemistry C

Doping of ceria surfaces with lanthanum: a DFT +Ustudy

(2010) Irene Yeriskin et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Morphological and catalytic stability of mesoporous peony-like ceria

(2010) C.N. Xian et al.   MICROPOROUS AND MESOPOROUS MATERIALS

On the proton conductivity in pure and gadolinium doped nanocrystalline cerium oxide

(2010) Mona Shirpour et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic degradation of ethanol in an electric field

(2009) Y. Sekine et al.   CATALYSIS TODAY

Healing of oxygen vacancies on reduced surfaces of gold-doped ceria

(2009) Michael Nolan   JOURNAL OF CHEMICAL PHYSICS

Low-Temperature Hydrogen Production by Highly Efficient Catalytic System Assisted by an Electric Field†

(2009) Yasushi Sekine et al.   JOURNAL OF PHYSICAL CHEMISTRY A

High Oxygen Storage Capacity and High Rates of CO Oxidation and NO Reduction Catalytic Properties of Ce1−xSnxO2 and Ce0.78Sn0.2Pd0.02O2-δ

(2009) Tinku Baidya et al.   Journal of Physical Chemistry C

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

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

Electrical conductivity of dense nanocrystalline ceria under humidified atmosphere

(2009) Hitoshi Takamura et al.   SOLID STATE IONICS

Unprecedented Room-Temperature Electrical Power Generation Using Nanoscale Fluorite-Structured Oxide Electrolytes

(2008) S. Kim et al.   ADVANCED MATERIALS

Methane Activation and Oxygen Vacancy Formation over CeO2 and Zr, Pd Substituted CeO2 Surfaces

(2008) Adam D. Mayernick et al.   Journal of Physical Chemistry C