Functionalization of CeO2(1 1 1) by Deposition of Small Ni Clusters: Effects on CO2Adsorption and O Vacancy Formation

Occupation matrix control of d- and f-electron localisations using DFT + U

(2014) Jeremy P. Allen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coverage Effect of the CO2 Adsorption Mechanisms on CeO2(111) by First Principles Analysis

(2013) Konstanze R. Hahn et al.   Journal of Physical Chemistry C

Transport Properties in the CeO2–x(111) Surface: From Charge Distribution to Ion-Electron Collaborative Migration

(2013) José J. Plata et al.   Journal of Physical Chemistry C

Theoretical Studies of the Adsorption of CO and C on Ni(111) and Ni/CeO2(111): Evidence of a Strong Metal–Support Interaction

(2013) Javier Carrasco et al.   Journal of Physical Chemistry C

Electronic interactions and charge transfers of metal atoms and clusters on oxide surfaces

(2013) Gianfranco Pacchioni   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Evidence for Subsurface Ordering of Oxygen Vacancies on the ReducedCeO2(111)Surface Using Density-Functional and Statistical Calculations

(2013) Gustavo E. Murgida et al.   PHYSICAL REVIEW LETTERS

Morphology Dependence of Catalytic Properties of Ni/CeO2 Nanostructures for Carbon Dioxide Reforming of Methane

(2012) Xianjun Du et al.   Journal of Physical Chemistry C

A New Type of Strong Metal–Support Interaction and the Production of H2 through the Transformation of Water on Pt/CeO2(111) and Pt/CeOx/TiO2(110) Catalysts

(2012) Albert Bruix et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exchange between sub-surface and surface oxygen vacancies on CeO2(111): a new surface diffusion mechanism

(2011) Hui-Ying Li et al.   CHEMICAL COMMUNICATIONS

A First-Principles Modeling of Ni Interactions on CeO2−ZrO2 Mixed Oxide Solid Solutions

(2011) Federico Cova et al.   Journal of Physical Chemistry C

Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles

(2011) Georgi N. Vayssilov et al.   NATURE MATERIALS

Water–Gas Shift and CO Methanation Reactions over Ni–CeO2(111) Catalysts

(2011) Sanjaya D. Senanayake et al.   TOPICS IN CATALYSIS

Gold Stabilized by Nanostructured Ceria Supports: Nature of the Active Sites and Catalytic Performance

(2011) Yejun Guan et al.   TOPICS IN CATALYSIS

High Activity of Ce1−xNixO2−y for H2 Production through Ethanol Steam Reforming: Tuning Catalytic Performance through Metal-Oxide Interactions

(2010) Gong Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structural and magnetic properties of Ni n (n = 2–21) clusters

(2010) Q. L. Lu et al.   EUROPEAN PHYSICAL JOURNAL D

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 Electronic Structure and Chemical Properties of a Ni/CeO2 Anode in a Solid Oxide Fuel Cell: A DFT + U Study

(2010) M. Shishkin et al.   Journal of Physical Chemistry C

Unusual Physical and Chemical Properties of Ni in Ce1−xNixO2−y Oxides: Structural Characterization and Catalytic Activity for the Water Gas Shift Reaction

(2010) Laura Barrio et al.   Journal of Physical Chemistry C

Alkali-Stabilized Pt-OHx Species Catalyze Low-Temperature Water-Gas Shift Reactions

(2010) Y. Zhai et al.   SCIENCE

Methanation of carbon dioxide: an overview

(2010) Wang Wei et al.   Frontiers of Chemical Science and Engineering

Multiple configurations of the two excess4felectrons on defectiveCeO2(111): Origin and implications

(2009) Hui-Ying Li et al.   PHYSICAL REVIEW B

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

CO Adsorption and Oxidation on Ceria Surfaces from DFT+U Calculations

(2008) Min Huang et al.   Journal of Physical Chemistry C