Publications by authors named "David Loffreda"

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How Morphological Descriptors Capture the Stability Order in Palladium Nanoparticles.
Emmanuel Ikwa, Mickael Rivallan, Thibaud Nardin, Antoine Hugon, David Loffreda

J Phys Chem Lett· June 2025

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Theoretical study of structure sensitivity on ceria-supported single platinum atoms and its influence on carbon monoxide adsorption.
Antoine Salichon, Agustin Salcedo, Carine Michel, David Loffreda

J Comput Chem· September 2024

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How far the chemistry of self-assembled monolayers on gold surfaces affects their work function?
Léo Bossard-Giannesini, Luis Cardenas, Hervé Cruguel, Aude Demessence, David Loffreda

Nanoscale· November 2023

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Identifying the Structure of Supported Metal Catalysts Using Vibrational Fingerprints from Ab Initio Nanoscale Models.
Agustin Salcedo, Deniz Zengel, Florian Maurer, Maria Casapu, Jan-Dierk Grunwaldt, David Loffreda

Small· August 2023

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Influence of air exposure on structural isomers of silver nanoparticles.
Jerome Vernieres, Nathalie Tarrat, Sean Lethbridge, Erica Watchorn-Rokutan, Thomas Slater, David Loffreda

Commun Chem· January 2023

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Coordination of Ethylamine on Small Silver Clusters: Structural and Topological (ELF, QTAIM) Analyses.
Corinne Lacaze-Dufaure, Yann Bulteau, Nathalie Tarrat, David Loffreda, Pierre Fau

Inorg Chem· May 2022

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Revealing Size Dependent Structural Transitions in Supported Gold Nanoparticles in Hydrogen at Atmospheric Pressure.
Abdallah Nassereddine, Qing Wang, David Loffreda, Christian Ricolleau, Damien Alloyeau

Small· December 2021

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Importance of Defective and Nonsymmetric Structures in Silver Nanoparticles.
David Loffreda, Dawn M Foster, Richard E Palmer, Nathalie Tarrat

J Phys Chem Lett· April 2021

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Effect of the Ligand Binding Strength on the Morphology of Functionalized Gold Nanoparticles.
Chen-Hui Chan, Floriane Poignant, Michaël Beuve, Elise Dumont, David Loffreda

J Phys Chem Lett· April 2020

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A Water Solvation Shell Can Transform Gold Metastable Nanoparticles in the Fluxional Regime.
Chen-Hui Chan, Floriane Poignant, Michaël Beuve, Elise Dumont, David Loffreda

J Phys Chem Lett· March 2019

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Why conclusions from platinum model surfaces do not necessarily lead to enhanced nanoparticle catalysts for the oxygen reduction reaction.
Federico Calle-Vallejo, Marcus D Pohl, David Reinisch, David Loffreda, Philippe Sautet

Chem Sci· March 2017

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Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt Immersed in Water.
Rodrigo Ferreira de Morais, Torsten Kerber, Federico Calle-Vallejo, Philippe Sautet, David Loffreda

Small· October 2016

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Promoter effect of hydration on the nucleation of nanoparticles: direct observation for gold and copper on rutile TiO2 (110).
Mathilde Iachella, Axel Wilson, Ahmed Naitabdi, Romain Bernard, Geoffroy Prévot, David Loffreda

Nanoscale· September 2016

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Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors.
Federico Calle-Vallejo, Jakub Tymoczko, Viktor Colic, Quang Huy Vu, Marcus D Pohl, David Loffreda

Science· October 2015

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Coverage-dependent thermodynamic analysis of the formation of water and hydrogen peroxide on a platinum model catalyst.
Rodrigo Ferreira de Morais, Alejandro A Franco, Philippe Sautet, David Loffreda

Phys Chem Chem Phys· May 2015

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Introducing structural sensitivity into adsorption-energy scaling relations by means of coordination numbers.
Federico Calle-Vallejo, David Loffreda, Marc T M Koper, Philippe Sautet

Nat Chem· May 2015

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Understanding Adsorption-Induced Effects on Platinum Nanoparticles: An Energy-Decomposition Analysis.
Federico Calle-Vallejo, Philippe Sautet, David Loffreda

J Phys Chem Lett· September 2014

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Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers.
Federico Calle-Vallejo, José I Martínez, Juan M García-Lastra, Philippe Sautet, David Loffreda

Angew Chem Int Ed Engl· August 2014

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Promoter Effect of Early Stage Grown Surface Oxides: A Near-Ambient-Pressure XPS Study of CO Oxidation on PtSn Bimetallics.
Yvette Jugnet, David Loffreda, Céline Dupont, Françoise Delbecq, Eric Ehret

J Phys Chem Lett· December 2012

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Growth of a Pt film on non-reduced ceria: a density functional theory study.
David Loffreda, Françoise Delbecq

J Chem Phys· January 2012

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Nature of adhesion of condensed organic films on platinum by first-principles simulations.
Slimane Laref, Yan Li, Marie-Laure Bocquet, Françoise Delbecq, Philippe Sautet, David Loffreda

Phys Chem Chem Phys· July 2011

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Fast prediction of selectivity in heterogeneous catalysis from extended Brønsted-Evans-Polanyi relations: a theoretical insight.
David Loffreda, Françoise Delbecq, Fabienne Vigné, Philippe Sautet

Angew Chem Int Ed Engl· January 2010

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Restructuring of the Pt3Sn(111) surfaces induced by atomic and molecular oxygen from first principles.
Céline Dupont, Yvette Jugnet, Françoise Delbecq, David Loffreda

J Chem Phys· March 2009

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Structural identification of conjugated molecules on metal surfaces by means of soft vibrations.
David Loffreda

Angew Chem Int Ed Engl· October 2006

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Formation of a high coverage (3 x 3) NO phase on Pd(111) at elevated pressures: interplay between kinetic and thermodynamic accessibility.
Emrah Ozensoy, Christian Hess, David Loffreda, Philippe Sautet, D Wayne Goodman

J Phys Chem B· March 2005

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