New mechanistic pathways for CO oxidation catalyzed by single-atom catalysts: Supported and doped Au1/ThO2

On the Nature of Support Effects of Metal Dioxides MO2 (M = Ti, Zr, Hf, Ce, Th) in Single-Atom Gold Catalysts: Importance of Quantum Primogenic Effect

(2016) Yan Tang et al.   Journal of Physical Chemistry C

Formation, Migration, and Reactivity of Au–CO Complexes on Gold Surfaces

(2016) Jun Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways

(2016) Yang-Gang Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical investigations of non-noble metal single-atom catalysis: Ni1/FeOx for CO oxidation

(2016) Jin-Xia Liang et al.   Catalysis Science & Technology

The promotional role of water in heterogeneous catalysis: mechanism insights from computational modeling

(2016) Chun-Ran Chang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Activating Nonreducible Oxides via Doping

(2015) Niklas Nilius et al.   ACCOUNTS OF CHEMICAL RESEARCH

Hydrogenation of molecular oxygen to hydroperoxyl: An alternative pathway for O2 activation on nanogold catalysts

(2015) Chun-Ran Chang et al.   Nano Research

Ultrastable single-atom gold catalysts with strong covalent metal-support interaction (CMSI)

(2015) Botao Qiao et al.   Nano Research

Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles

(2015) Yang-Gang Wang et al.   Nature Communications

Catalysis on singly dispersed bimetallic sites

(2015) Shiran Zhang et al.   Nature Communications

Size-Dependent Reaction Pathways of Low-Temperature CO Oxidation on Au/CeO2 Catalysts

(2015) Shilong Chen et al.   ACS Catalysis

Highly Efficient Catalysis of Preferential Oxidation of CO in H2-Rich Stream by Gold Single-Atom Catalysts

(2015) Botao Qiao et al.   ACS Catalysis

Activation of Molecular Oxygen and the Nature of the Active Oxygen Species for CO Oxidation on Oxide Supported Au Catalysts

(2014) D. Widmann et al.   ACCOUNTS OF CHEMICAL RESEARCH

Maximum Noble-Metal Efficiency in Catalytic Materials: Atomically Dispersed Surface Platinum

(2014) Albert Bruix et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Preparation, Characterization and Origin of Highly Active and Thermally Stable Pd–Ce0.8Zr0.2O2 Catalysts via Sol-Evaporation Induced Self-Assembly Method

(2014) Jian Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Theoretical and Experimental Investigations on Single-Atom Catalysis: Ir1/FeOx for CO Oxidation

(2014) Jin-Xia Liang et al.   Journal of Physical Chemistry C

Direct Simulation Evidence of Generation of Oxygen Vacancies at the Golden Cage Au16 and TiO2 (110) Interface for CO Oxidation

(2014) Lei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina

(2014) Eric J. Peterson et al.   Nature Communications

Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study

(2014) Fengyu Li et al.   ACS Catalysis

Insights into Catalytic Oxidation at the Au/TiO2 Dual Perimeter Sites

(2013) Isabel X. Green et al.   ACCOUNTS OF CHEMICAL RESEARCH

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Catalysis by Doped Oxides

(2013) Eric W. McFarland et al.   CHEMICAL REVIEWS

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

(2013) Joachim Paier et al.   CHEMICAL REVIEWS

Fluxionality of Au Clusters at Ceria Surfaces during CO Oxidation: Relationships among Reactivity, Size, Cohesion, and Surface Defects from DFT Simulations

(2013) Prasenjit Ghosh et al.   Journal of Physical Chemistry Letters

CO Self-Promoting Oxidation on Nanosized Gold Clusters: Triangular Au3 Active Site and CO Induced O–O Scission

(2013) Chunyan Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CO Oxidation on TiO2 (110) Supported Subnanometer Gold Clusters: Size and Shape Effects

(2013) Lei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CO Oxidation on Supported Single Pt Atoms: Experimental and ab Initio Density Functional Studies of CO Interaction with Pt Atom on θ-Al2O3(010) Surface

(2013) Melanie Moses-DeBusk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Role of Reducible Oxide–Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO2 from ab Initio Molecular Dynamics

(2013) Yang-Gang Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Remarkable Performance of Ir1/FeOx Single-Atom Catalyst in Water Gas Shift Reaction

(2013) Jian Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-Principles Study of CO Adsorption and Oxidation on Ru-Doped CeO2(111) Surface

(2012) Hsin-Tsung Chen   Journal of Physical Chemistry C

Computational Investigation of CO Adsorption and Oxidation on Mn/CeO2(111) Surface

(2012) Ling-Chieh Hsu et al.   Journal of Physical Chemistry C

Inhibition at Perimeter Sites of Au/TiO2 Oxidation Catalyst by Reactant Oxygen

(2012) Isabel Xiaoye Green et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Ordered Array of Single Adatoms with Remarkable Thermal Stability:Au/Fe3O4(001)

(2012) Zbyněk Novotný et al.   PHYSICAL REVIEW LETTERS

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

Spiers Memorial Lecture : Role of perimeter interfaces in catalysis by gold nanoparticles

(2011) Masatake Haruta   FARADAY DISCUSSIONS

Decoration with ceria nanoparticles activates inert gold island/film surfaces for the CO oxidation reaction

(2011) Zheng Zhou et al.   JOURNAL OF CATALYSIS

Oxygen Vacancy Formation and Migration in CexTh1–xO2Solid Solution

(2011) H. Y. Xiao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational Investigation of CO Adsorption and Oxidation on Iron-Modified Cerium Oxide

(2011) Hsin-Tsung Chen et al.   Journal of Physical Chemistry C

CO Oxidation Mechanism on CeO2-Supported Au Nanoparticles

(2011) Hyun You Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

CO oxidation catalyzed by a single gold atom: benchmark calculations and the performance of DFT methods

(2011) Hao-Cheng Fang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Spectroscopic Observation of Dual Catalytic Sites During Oxidation of CO on a Au/TiO2 Catalyst

(2011) I. X. Green et al.   SCIENCE

Electronic Structure and Redox Properties of the Ti-Doped Zirconia (111) Surface

(2010) Hasani R. Chauke et al.   Journal of Physical Chemistry C

Theoretical investigations of the catalytic role of water in propene epoxidation on gold nanoclusters: A hydroperoxyl-mediated pathway

(2010) Chun-Ran Chang et al.   Nano Research

Morphology effects of nanoscale ceria on the activity of Au/CeO2 catalysts for low-temperature CO oxidation

(2009) Xin-Song Huang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Identifying the O2diffusion and reduction mechanisms on CeO2electrolyte in solid oxide fuel cells: A DFT + U study

(2009) Hsin-Tsung Chen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Reaction Mechanisms for the CO Oxidation on Au/CeO2Catalysts: Activity of Substitutional Au3+/Au+Cations and Deactivation of Supported Au+Adatoms

(2009) Matteo Farnesi Camellone et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Kinetics of CO oxidation catalyzed by highly dispersed CeO2-supported gold

(2008) Veronica Aguilar-Guerrero et al.   JOURNAL OF CATALYSIS

Redox properties of gold-substituted zirconia surfaces

(2008) Ricardo Grau-Crespo et al.   JOURNAL OF MATERIALS CHEMISTRY

Calorimetric measurements on (U,Th)O2 solid solutions

(2008) R. Kandan et al.   JOURNAL OF NUCLEAR MATERIALS

Vacancy formation and CO adsorption on gold-doped ceria surfaces

(2008) Michael Nolan et al.   SURFACE SCIENCE