Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
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April 2018 |
Heterogeneous single-atom catalysis
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May 2018 |
Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles
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November 2008 |
Break-Up of Stepped Platinum Catalyst Surfaces by High CO Coverage
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February 2010 |
In Situ Studies of Chemistry and Structure of Materials in Reactive Environments
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January 2011 |
Atomistic Theory of Ostwald Ripening and Disintegration of Supported Metal Particles under Reaction Conditions
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January 2013 |
Toward Rational Design of Oxide-Supported Single-Atom Catalysts: Atomic Dispersion of Gold on Ceria
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April 2017 |
Restructuring Transition Metal Oxide Nanorods for 100% Selectivity in Reduction of Nitric Oxide with Carbon Monoxide
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June 2013 |
Uniformity Is Key in Defining Structure–Function Relationships for Atomically Dispersed Metal Catalysts: The Case of Pt/CeO 2
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December 2019 |
Complementary Structure Sensitive and Insensitive Catalytic Relationships
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January 2009 |
Determination of the Evolution of Heterogeneous Single Metal Atoms and Nanoclusters under Reaction Conditions: Which Are the Working Catalytic Sites?
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October 2019 |
Infrared Studies of Carbon Monoxide Chemisorbed on Rhodium
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November 1957 |
Infrared spectra of chemisorbed CO on Rh
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February 1979 |
Isolated Metal Active Site Concentration and Stability Control Catalytic CO 2 Reduction Selectivity
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February 2015 |
Adsorbate-mediated strong metal–support interactions in oxide-supported Rh catalysts
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September 2016 |
Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site
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October 2019 |
Influence of particle size on the activity and stability in steam methane reforming of supported Rh nanoparticles
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June 2011 |
Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity
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February 2018 |
Structural evolution of atomically dispersed Pt catalysts dictates reactivity
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April 2019 |
Ceria Maintains Smaller Metal Catalyst Particles by Strong Metal-Support Bonding
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August 2010 |
Chemical Potential of Metal Atoms in Supported Nanoparticles: Dependence upon Particle Size and Support
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November 2017 |
Adsorption of CO on Rh(100) studied by infrared reflection–absorption spectroscopy
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December 1990 |
Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption
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January 2016 |
Shape-Selective Synthesis and Oxygen Storage Behavior of Ceria Nanopolyhedra, Nanorods, and Nanocubes
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December 2005 |
High Catalytic Activity and Chemoselectivity of Sub-nanometric Pd Clusters on Porous Nanorods of CeO 2 for Hydrogenation of Nitroarenes
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February 2016 |
Synergy of Single-Atom Ni 1 and Ru 1 Sites on CeO 2 for Dry Reforming of CH 4
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April 2019 |
Catalysis on singly dispersed bimetallic sites
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August 2015 |
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT
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June 2005 |
Reactor for tracking catalyst nanoparticles in liquid at high temperature under a high-pressure gas phase with X-ray absorption spectroscopy
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February 2018 |
Development of a reaction cell for in-situ/operando studies of surface of a catalyst under a reaction condition and during catalysis
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June 2016 |
The surface chemistry of cerium oxide
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March 2015 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Generalized Gradient Approximation Made Simple
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October 1996 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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January 1998 |
Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
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January 2005 |
Surface Stabilizes Ceria in Unexpected Stoichiometry
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March 2017 |
Evidence for Subsurface Ordering of Oxygen Vacancies on the Reduced CeO 2 ( 111 ) Surface Using Density-Functional and Statistical Calculations
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June 2013 |
Special points for Brillouin-zone integrations
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June 1976 |
Hybrid functionals based on a screened Coulomb potential
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May 2003 |
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
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June 2006 |
Screened hybrid density functionals applied to solids
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April 2006 |
Density functional study of CO on Rh(111)
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October 2004 |
Composition, structure, and stability of RuO 2 ( 110 ) as a function of oxygen pressure
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December 2001 |
Composition and structure of the RuO 2 ( 110 ) surface in an O 2 and CO environment: Implications for the catalytic formation of CO 2
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July 2003 |
Ab initio thermodynamic evaluation of Pd atom interaction with CeO2 surfaces
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August 2009 |
Role of Site Stability in Methane Activation on Pd x Ce 1 –x O δ Surfaces
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September 2015 |
Toward an Understanding of Selective Alkyne Hydrogenation on Ceria: On the Impact of O Vacancies on H 2 Interaction with CeO 2 (111)
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November 2017 |
Direct Neutron Spectroscopy Observation of Cerium Hydride Species on a Cerium Oxide Catalyst
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July 2017 |
Water Dissociation on CeO 2 (100) and CeO 2 (111) Thin Films
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August 2012 |
Electron Localization in Defective Ceria Films: A Study with Scanning-Tunneling Microscopy and Density-Functional Theory
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June 2011 |
Hydrogen activation, diffusion, and clustering on CeO 2 (111): A DFT+ U study
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July 2014 |
Ordering of oxygen vacancies and excess charge localization in bulk ceria: A DFT + U study
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September 2014 |
Role of oxygen vacancies in the surface evolution of H at CeO 2 (111): a charge modification effect
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January 2015 |
Clustering of Oxygen Vacancies at CeO 2 ( 111 ) : Critical Role of Hydroxyls
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February 2016 |
Comment on “Clustering of Oxygen Vacancies at CeO2(111) : Critical Role of Hydroxyls”
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December 2016 |
Wu and Gong Reply:
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December 2016 |
Density functional theory investigation of 3 d , 4 d , and 5 d 13-atom metal clusters
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April 2010 |
The CO/Pt(111) Puzzle †
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May 2001 |
Significance of single-electron energies for the description of CO on Pt(111)
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August 2003 |
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
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April 2004 |
Accurate surface and adsorption energies from many-body perturbation theory
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July 2010 |
Optimal Packing of CO at a High Coverage on Pt(100) and Pt(111) Surfaces
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July 2020 |
Reversible Metal Aggregation and Redispersion Driven by the Catalytic Water Gas Shift Half-Reactions: Interconversion of Single-Site Rhodium Complexes and Tetrarhodium Clusters in Zeolite HY
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February 2019 |
XSEDE: Accelerating Scientific Discovery
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September 2014 |