Thermokinetic and Spectroscopic Mapping of Carbon Monoxide Adsorption on Highly Dispersed Pt/γ-Al2O3

Atomic Scale Insight into the Formation, Size, and Location of Platinum Nanoparticles Supported on γ-Alumina

(2020) Ana T. F. Batista et al.   ACS Catalysis

Optimal Packing of CO at a High Coverage on Pt(100) and Pt(111) Surfaces

(2020) Vaidish Sumaria et al.   ACS Catalysis

Atomistic Models for Highly‐dispersed PtSn/γ‐Al 2 O 3 Catalysts: Ductility and Dilution Affect the Affinity for Hydrogen

(2019) Agnès Gorczyca et al.   ChemCatChem

Dynamics of Single Pt Atoms on Alumina during CO Oxidation Monitored by Operando X-ray and Infrared Spectroscopies

(2019) Caroline Dessal et al.   ACS Catalysis

Influence of the adsorption of CO on the electronic structure of platinum clusters and nanowires deposited on CeO2(111) and γ-Al2O3(001) surfaces

(2019) Iskra Z. Koleva et al.   CATALYSIS TODAY

Beyond γ-Al2O3 crystallite surfaces: The hidden features of edges revealed by solid-state 1H NMR and DFT calculations

(2019) Ana T.F. Batista et al.   JOURNAL OF CATALYSIS

A Linear Scaling Relation for CO Oxidation on CeO2-Supported Pd

(2018) Jin-Xun Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity

(2018) Geng Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CO Adsorption Site Preference on Platinum: Charge Is the Essence

(2018) G. T. Kasun Kalhara Gunasooriya et al.   ACS Catalysis

Multiscale Approach to the Dissociative Adsorption of Oxygen on a Highly Dispersed Platinum Supported on γ-Al2O3

(2018) Alexis Sangnier et al.   Journal of Physical Chemistry C

Dehydrogenation mechanisms of methyl-cyclohexane on γ-Al2O3 supported Pt13: Impact of cluster ductility

(2018) Wei Zhao et al.   JOURNAL OF CATALYSIS

Experimental microkinetic approach of the CO/H 2 reaction on Pt/Al 2 O 3 using the Temkin formalism. 1. Competitive chemisorption between adsorbed CO and hydrogen species in the absence of reaction

(2017) Julien Couble et al.   JOURNAL OF CATALYSIS

Adding Pieces to the CO/Pt(111) Puzzle: The Role of Dispersion

(2017) Patanachai Janthon et al.   Journal of Physical Chemistry C

Thermodynamic Characterization of the Hydroxyl Group on the γ-Alumina Surface by the Energy Distribution Function

(2017) Matthieu Lagauche et al.   Journal of Physical Chemistry C

Quantitative and Atomic-Scale View of CO-Induced Pt Nanoparticle Surface Reconstruction at Saturation Coverage via DFT Calculations Coupled with in Situ TEM and IR

(2017) Talin Avanesian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fluxionality of Catalytic Clusters: When It Matters and How to Address It

(2017) Huanchen Zhai et al.   ACS Catalysis

Decomposition behavior of platinum clusters supported on ceria and γ-alumina in the presence of carbon monoxide

(2017) Iskra Z. Koleva et al.   Catalysis Science & Technology

Alumina-supported sub-nanometer Pt10 clusters: amorphization and role of the support material in a highly active CO oxidation catalyst

(2017) Chunrong Yin et al.   Journal of Materials Chemistry A

Isotopic transient studies of sodium promotion of Pt/Al 2 O 3 for the water–gas shift reaction

(2016) Viktor J. Cybulskis et al.   JOURNAL OF CATALYSIS

Thermal Evolution and Instability of CO-Induced Platinum Clusters on the Pt(557) Surface at Ambient Pressure

(2016) Jeongjin Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Reforming: Methodology and Process Development for a Constant Optimisation and Performance Enhancement

(2016) Priscilla Avenier et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Utilizing Quantitative in Situ FTIR Spectroscopy To Identify Well-Coordinated Pt Atoms as the Active Site for CO Oxidation on Al2O3-Supported Pt Catalysts

(2016) Matthew J. Kale et al.   ACS Catalysis

Heat of adsorption of CO on EUROPT-1 using the AEIR method: Effect of analysis parameters, water and sample mode

(2015) Imen Jbir et al.   APPLIED CATALYSIS A-GENERAL

Operando spatially and time-resolved X-ray absorption spectroscopy and infrared thermography during oscillatory CO oxidation

(2015) Andreas M. Gänzler et al.   JOURNAL OF CATALYSIS

Assessment of Hybrid Density Functionals for the Adsorption of Carbon Monoxide on Platinum Model Clusters

(2015) Thomas M. Soini et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Effect of Dispersion Correction on the Adsorption of CO on Metallic Nanoparticles

(2015) Jack B. A. Davis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular adsorption at Pt(111). How accurate are DFT functionals?

(2015) Sarah Gautier et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nanocatalysis: size- and shape-dependent chemisorption and catalytic reactivity

(2015) Beatriz Roldan Cuenya et al.   SURFACE SCIENCE REPORTS

Monitoring Morphology and Hydrogen Coverage of Nanometric Pt/γ-Al2O3Particles by In Situ HERFD-XANES and Quantum Simulations

(2014) Agnes Gorczyca et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides

(2014) Jesper J. H. B. Sattler et al.   CHEMICAL REVIEWS

Impact and Detailed Action of Sulfur in Syngas on Methane Synthesis on Ni/γ-Al2O3 Catalyst

(2014) Benoit Legras et al.   ACS Catalysis

Density functional theory simulations of complex catalytic materials in reactive environments: beyond the ideal surface at low coverage

(2014) Céline Chizallet et al.   Catalysis Science & Technology

From γ-alumina to supported platinum nanoclusters in reforming conditions: 10years of DFT modeling and beyond

(2013) Pascal Raybaud et al.   JOURNAL OF CATALYSIS

Influence of Adsorbates on the Electronic Structure, Bond Strain, and Thermal Properties of an Alumina-Supported Pt Catalyst

(2012) Matthew W. Small et al.   ACS Nano

Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters

(2012) Lin Li et al.   Journal of Physical Chemistry Letters

CO oxidation on Pt nanoclusters, size and coverage effects: a density functional theory study

(2012) Sergey Dobrin   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Platinum Nanoclusters Stabilized on γ-Alumina by Chlorine Used As a Capping Surface Ligand: A Density Functional Theory Study

(2012) C. Mager-Maury et al.   ACS Catalysis

Diesel Oxidation Catalysts

(2011) April Russell et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

Comprehensive Benchmarking of a Density-Dependent Dispersion Correction

(2011) Stephan N. Steinmann et al.   Journal of Chemical Theory and Computation

Chemisorption of CO and Mechanism of CO Oxidation on Supported Platinum Nanoclusters

(2011) Ayman D. Allian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

H2-Induced Reconstruction of Supported Pt Clusters: Metal-Support Interaction versus Surface Hydride

(2010) Christophe Mager-Maury et al.   ChemCatChem

Modulation of catalyst particle structure upon support hydroxylation: Ab initio insights into Pd13 and Pt13/γ-Al2O3

(2010) Chao Hao Hu et al.   JOURNAL OF CATALYSIS

Accurate surface and adsorption energies from many-body perturbation theory

(2010) L. Schimka et al.   NATURE MATERIALS

Electronic structure of alumina-supported monometallic Pt and bimetallic PtSn catalysts under hydrogen and carbon monoxide environment

(2010) Jagdeep Singh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Break-Up of Stepped Platinum Catalyst Surfaces by High CO Coverage

(2010) F. Tao et al.   SCIENCE

Coverage-Dependent CO Adsorption Energy from First-Principles Calculations

(2009) Bin Shan et al.   Journal of Physical Chemistry C

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Mechanism of the Water Gas Shift Reaction on Pt:  First Principles, Experiments, and Microkinetic Modeling

(2008) Lars C. Grabow et al.   Journal of Physical Chemistry C