List of works - Céline Chizallet

A Molecular Approach for Unraveling Surface Phase Transitions: Sulfation of BaO as a Model NOx Trap

scientific article published on 13 July 2012

Ab Initio Simulation of the Acid Sites at the External Surface of Zeolite Beta

article published in 2017

Acidity of Amorphous Silicaâ Alumina: From Coordination Promotion of Lewis Sites to Proton Transfer

scientific article published on 01 January 2010

Atmosphere-dependent stability and mobility of catalytic Pt single atoms and clusters on γ-Al2O3

scientific article published on 01 April 2019

Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations

scientific article published on 5 August 2015

Basic reactivity of CaO: investigating active sites under operating conditions.

scientific article published on 14 October 2010

Biomass-mediated ZSM-5 zeolite synthesis: when self-assembly allows to cross the Si/Al lower limit

scientific article published on 05 July 2018

Brønsted acidity of amorphous silica–alumina: The molecular rules of proton transfer

CO adsorption on amorphous silica–alumina: electrostatic or Brønsted acidity probe?

scientific article published on 19 March 2012

Catalysis of transesterification by a nonfunctionalized metal-organic framework: acido-basicity at the external surface of ZIF-8 probed by FTIR and ab initio calculations.

scientific article published on September 2010

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

article

Challenges on molecular aspects of dealumination and desilication of zeolites

Comment on "Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects" by F. Behafarid et al., Phys. Chem. Chem. Phys., 2012, 14, 11766-11779.

scientific article published on 9 November 2012

Comparison of the behavior of metal-organic frameworks and zeolites for hydrocarbon separations

scientific article published on 20 March 2012

Dealumination mechanisms of zeolites and extra-framework aluminum confinement

scholarly article by Marius-Christian Silaghi et al published July 2016 in Journal of Catalysis

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

Effect of Indium Doping of γ-Alumina on the Stabilization of PtSn Alloyed Clusters Prepared by Surface Organostannic Chemistry

Evaluating acid and metallic site proximity in Pt/γ-Al<sub>2</sub>O<sub>3</sub>–Cl bifunctional catalysts through an atomic scale geometrical model

scientific article published in 2022

French Catalysis and Much More at FCCat 1

article

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

article published in 2013

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

scientific article published on 22 October 2009

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

article published in 2010

Infrared characterization of hydroxyl groups on MgO: a periodic and cluster density functional theory study

scientific article published on 28 April 2007

Insights into the Geometry, Stability and Vibrational Properties of OH Groups on γ-Al2O3, TiO2-Anatase and MgO from DFT Calculations

Investigation of Acid Centers in MIL-53(Al, Ga) for Brønsted-Type Catalysis: In Situ FTIR and Ab Initio Molecular Modeling

Isopropanol Dehydration on Amorphous Silica-Alumina: Synergy of Brønsted and Lewis Acidities at Pseudo-Bridging Silanols.

scientific article

Kinetic model of energy transfer processes between low-coordinated ions on MgO by photoluminescence decay measurements.

scientific article published in April 2006

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

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

scientific article published on 23 July 2014

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

Pseudo-Bridging Silanols as Versatile Brønsted Acid Sites of Amorphous Aluminosilicate Surfaces

scientific article published on 01 January 2009

Regioselectivity of Al–O Bond Hydrolysis during Zeolites Dealumination Unified by Brønsted–Evans–Polanyi Relationship

article published in 2014

Revisiting carbenium chemistry on amorphous silica-alumina: Unraveling their milder acidity as compared to zeolites

article published in 2015

Structural, energetic, and electronic trends in low-dimensional late-transition-metal systems

scholarly article in Physical Review B, vol. 79 no. 19, May 2009

Thermodynamic Stability of Buta-1,3-diene and But-1-ene on Pd(111) and (100) Surfaces under H2 Pressure: A DFT Study

Tuning the Metal-Support Interaction by Structural Recognition of Cobalt-Based Catalyst Precursors

scientific article published on 23 April 2015

Water on extended and point defects at MgO surfaces

scientific article published on 01 August 2006

List of works by Céline Chizallet