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David Loffreda

Observed names: D Loffreda, D. Loffreda, David Loffreda A, Loffreda David, Loffreda, D., Loffreda, David
Observed institutions: Lyon 1 Université, École Normale Supérieure de Lyon, Centre National de la Recherche Scientifique, University of Bonn, Harvard University, Scuola Internazionale Superiore di Studi Avanzati, Pacific Northwest National Laboratory, Université de Lyon, University of Wrocław, University of Cambridge, Fritz Haber Institute of the Max Planck Society, Environmental Molecular Sciences Laboratory, Laboratoire de Génie des Procédés Catalytiques, Laboratoire de Chimie, Institut de Recherches sur la Catalyse et l'Environnement de Lyon, Istituto Nazionale per la Fisica della Materia, Institut de Chimie de Lyon, Parc Científic de Barcelona, École d'Ingénieurs en Chimie et Sciences du Numérique, Universitat de Barcelona, Texas A&M University
ORCID: 0000-0001-9912-7965
Observed ORCID: 0000-0001-9912-7965
OpenAlex ID: A5013184121
Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors
2015 · Federico Calle-Vallejo, Jakub Tymoczko, et al. · Science · 948
Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers
2015 · Federico Calle-Vallejo, David Loffreda, et al. · Nature Chemistry · 832
Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers
2014 · Federico Calle‐Vallejo, José I. Martínez, et al. · Angewandte Chemie International Edition · 503
Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale
2015 · T. Jahnke, G. Futter, et al. · Journal of Power Sources · 249
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Why conclusions from platinum model surfaces do not necessarily lead to enhanced nanoparticle catalysts for the oxygen reduction reaction
2016 · Federico Calle-Vallejo, Marcus D. Pohl, et al. · Chemical Science · 209
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Dependence of stretching frequency on surface coverage and adsorbate–adsorbate interactions: a density-functional theory approach of CO on Pd (111)
1999 · D Loffreda, D Simon, et al. · Surface Science · 192
Molecular and dissociative chemisorption of NO on palladium and rhodium (100) and (111) surfaces: A density-functional periodic study
1998 · D. Loffreda, D. Simon, et al. · The Journal of Chemical Physics · 177
Theoretical Evidence of PtSn Alloy Efficiency for CO Oxidation
2006 · Céline Dupont, Yvette Jugnet, et al. · Journal of the American Chemical Society · 158
Fast Prediction of Selectivity in Heterogeneous Catalysis from Extended Brønsted–Evans–Polanyi Relations: A Theoretical Insight
2009 · David Loffreda, Françoise Delbecq, et al. · Angewandte Chemie International Edition · 149
Vibrational frequency and chemisorption site: a DFT-periodic study of NO on Pd (111) and Rh (111) surfaces
1998 · D. Loffreda, D. Simon, et al. · Chemical Physics Letters · 146
Chemo−Regioselectivity in Heterogeneous Catalysis: Competitive Routes for CO and CC Hydrogenations from a Theoretical Approach
2006 · David Loffreda, Françoise Delbecq, et al. · Journal of the American Chemical Society · 132
Catalytic Hydrogenation of Unsaturated Aldehydes on Pt(111): Understanding the Selectivity from First‐Principles Calculations
2005 · David Loffreda, Françoise Delbecq, et al. · Angewandte Chemie International Edition · 118
New Insights into Ethene Epoxidation on Two Oxidized Ag{111} Surfaces
2003 · Marie-Laure Bocquet, Angelos Michaelides, et al. · Journal of the American Chemical Society · 114
Structure sensitivity for NO dissociation on palladium and rhodium surfaces
2003 · D Loffreda · Journal of Catalysis · 110
The adsorption of CO on Au(111) at elevated pressures studied by STM, RAIRS and DFT calculations
2004 · L. Piccolo, D. Loffreda, et al. · Surface Science · 108
Catalytic consequences of ultrafine Pt clusters supported on SrTiO3 for photocatalytic overall water splitting
2019 · Muhammad Qureshi, Angel T. Garcia-Esparza, et al. · Journal of Catalysis · 98
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Theoretical insight of adsorption thermodynamics of multifunctional molecules on metal surfaces
2006 · David Loffreda · Surface Science · 87
Affordable Estimation of Solvation Contributions to the Adsorption Energies of Oxygenates on Metal Nanoparticles
2019 · Federico Calle-Vallejo, Rodrigo F. de Morais, et al. · The Journal of Physical Chemistry C · 79
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Coverage Dependent Adsorption of Acrolein on Pt(111) from a Combination of First Principle Theory and HREELS Study
2004 · D. Loffreda, Y. Jugnet, et al. · The Journal of Physical Chemistry B · 77
A multiscale theoretical methodology for the calculation of electrochemical observables from ab initio data: Application to the oxygen reduction reaction in a Pt(111)-based polymer electrolyte membrane fuel cell
2011 · Rodrigo Ferreira de Morais, Philippe Sautet, et al. · Electrochimica Acta · 67
Ethene Epoxidation Selectivity Inhibited by Twisted Oxametallacycle: A DFT Study on Ag Surface-Oxide
2005 · Marie-Laure Bocquet, David Loffreda · Journal of the American Chemical Society · 66
Breaking the NO bond on Rh, Pd, and Pd3Mn alloy (100) surfaces: A quantum chemical comparison of reaction paths
2001 · D. Loffreda, F. Delbecq, et al. · The Journal of Chemical Physics · 64
Selective Elimination of Alkyldibenzothiophenes from Gas Oil by Formation of Insoluble Charge-Transfer Complexes
1999 · Alexandra Milenkovic, Emmanuelle Schulz, et al. · Energy & Fuels · 63
Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations
2010 · F. Vigné, J. Haubrich, et al. · Journal of Catalysis · 54
Promoter Effect of Early Stage Grown Surface Oxides: A Near-Ambient-Pressure XPS Study of CO Oxidation on PtSn Bimetallics
2012 · Yvette Jugnet, David Loffreda, et al. · The Journal of Physical Chemistry Letters · 53
Works count: 174
Citation count: 6,205
H-index: 34
I10-index: 76
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