Revisiting γ-alumina surface models through the topotactic transformation of boehmite surfaces

Achievements and Expectations in the Field of Computational Heterogeneous Catalysis in an Innovation Context

(2021) Céline Chizallet   TOPICS IN CATALYSIS

Structural Characterization of Phosphate Species Adsorbed on γ-Alumina by Combining DNP Surface Enhanced NMR Spectroscopy and DFT Calculations

(2021) Adrian Hühn et al.   ACS Catalysis

Direct 17O Isotopic Labeling of Oxides Using Mechanochemistry

(2020) Chia-Hsin Chen et al.   INORGANIC CHEMISTRY

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

Surface‐dependent activation of model α‐Al2O3‐supported P‐doped hydrotreating catalysts prepared by spin coating

(2020) Ricardo Antonio Garcia de Castro et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mapping the oxygen structure of γ-Al2O3 by high-field solid-state NMR spectroscopy

(2020) Qiang Wang et al.   Nature Communications

On the structure of γ-Al2O3

(2020) R. Prins   JOURNAL OF CATALYSIS

Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

(2019) R. Réocreux et al.   Nature Communications

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

High-surface-area corundum by mechanochemically induced phase transformation of boehmite

(2019) Amol P. Amrute et al.   SCIENCE

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

An Atomistic Description of the γ-Alumina/Water Interface Revealed by Ab Initio Molecular Dynamics

(2017) B. F. Ngouana-Wakou et al.   Journal of Physical Chemistry C

Surface Organometallic and Coordination Chemistry toward Single-Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities

(2016) Christophe Copéret et al.   CHEMICAL REVIEWS

Aqueous-Phase Preparation of Model HDS Catalysts on Planar Alumina Substrates: Support Effect on Mo Adsorption and Sulfidation

(2015) Cédric Bara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Controlled phase formation of nanocrystalline iron oxides/hydroxides in solution – An insight on the phase transformation mechanisms

(2015) Jorge Pedrosa et al.   MATERIALS CHEMISTRY AND PHYSICS

Mechanistic Investigation of Isopropanol Conversion on Alumina Catalysts: Location of Active Sites for Alkene/Ether Production

(2015) Kim Larmier et al.   ACS Catalysis

Heteronuclear NMR Spectroscopy as a Surface-Selective Technique: A Unique Look at the Hydroxyl Groups of γ-Alumina.

(2014) Mostafa Taoufik et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

The surface of transitional aluminas: A critical review

(2013) Guido Busca   CATALYSIS TODAY

Stability of Amorphous Silica-Alumina in Hot Liquid Water

(2013) Maximilian W. Hahn et al.   ChemSusChem

γ-Alumina: The Essential and Unexpected Role of Water for the Structure, Stability, and Reactivity of “Defect” Sites

(2012) Raphael Wischert et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A generalized-gradient approximation exchange hole model for dispersion coefficients

(2011) Stephan N. Steinmann et al.   JOURNAL OF CHEMICAL PHYSICS

Comprehensive Benchmarking of a Density-Dependent Dispersion Correction

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

Direct comparison between two structural models by DFT calculations

(2011) Ary R. Ferreira et al.   JOURNAL OF SOLID STATE CHEMISTRY

Structural Changes of γ-Al2O3-Supported Catalysts in Hot Liquid Water

(2011) Ryan M. Ravenelle et al.   ACS Catalysis

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

A one-dimensional ice structure built from pentagons

(2009) Javier Carrasco et al.   NATURE MATERIALS

Growth of boehmite particles in the presence of xylitol: morphology oriented by the nest effect of hydrogen bonding

(2009) David Chiche et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Determination of Oxide Nanoparticle Size and Shape Based on X-Ray Powder Pattern Simulation: Application to Boehmite AlOOH

(2008) David Chiche et al.   Journal of Physical Chemistry C