David Loffreda

33 years old (born in Lyon, France)

FORMATION & RESEARCH FIELDS

•2001-2006 : CHARGE DE RECHERCHES C.N.R.S. (CR1)

Research topic: Theoretical modeling of chemical reactivity in heterogeneous catalysis. Permanent position at Laboratoire de Chimie, Ecole Normale Supérieure de Lyon, Lyon (FRANCE).

•1999-2001: POST-DOCTORATE POSITION

Research field: Theoretical study of the vibrational properties for the oxygen adsorption on the Ag (001) surface. International School for Advanced Studies (I.S.A.S.), Trieste (ITALY).

•1996-1999: Ph.D. THESIS

Research topic: Theoretical modeling of the adsorption and the reactivity of the NO molecule on the palladium, rhodium and palladium-manganese alloy surfaces. Institut de Recherches sur la Catalyse - Centre National de la Recherche Scientifique, Villeurbanne (FRANCE).

 •1999: EAL-LCIC/IRC CONTRACT

 Research topic: DFT study of the hydrodechlorination of the adsorption of the trichloroethylene molecule on the palladium-copper alloy (110) surfaces. Institut de Recherches sur la Catalyse - Centre National de la Recherche Scientifique, Villeurbanne (FRANCE).

 •1998-1999: IRC/LCSO BILATERAL PROJECT

Research topic: Experimental and theoretical studies of the complexation phenomenon between the 2,4,5,7-tetranitro-9-fluorenone and the hard-sulphur dibenzothiophene molecules. Institut de Recherches sur la Catalyse - Centre National de la Recherche Scientifique and Laboratoire de Catalyse et de Synthèse Organique, (CPE UCB LYON I), Villeurbanne (FRANCE).

•1995-1996: MASTER DEGREE (M2)

 Research topic: DFT study of NO adsorption on Pd (100) and (111) surfaces. Institut de Recherches sur la Catalyse - Centre National de la Recherche Scientifique, Villeurbanne (FRANCE).

 •1994-1995: MAITRISE DEGREE (M1)

 Research topic: Improvement of anticorrosive performances of acrylic paintings on iron-based and non iron-based metals. Produits Chimiques Auxiliaires et de Synthèse (PCAS), Longjumeau (FRANCE).

•1993-1994: LICENCE DEGREE (L3)

 Research topic: Study of PVC/PMMA copolymer surfaces by XPS spectroscopy. Centre ESCA de NanoAnalyse et de Technologie de Surface (CENATS), Villeurbanne (FRANCE).

SUMMARY:

•1999 DOCTORATE "CATALYSIS AND CHEMICAL PHYSICS OF INTERFACES",

PhD defence on November 5th, 1999, Université Claude Bernard LYON I.

•1996 MASTER, Catalysis & Chemical Physics of Interfaces, Université Claude Bernard LYON I.

•1995 MAITRISE, Physics & Chemistry, Université Claude Bernard LYON I.

•1994 LICENCE, Physics & Chemistry, Université Claude Bernard LYON I.

•1992-1993 CLASSE PREPARATOIRE ECOLE D'INGENIEURS, La Martinière Monplaisir, Lyon, FRANCE.

•1991 BACCALAUREAT C.

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TEACHING ACTIVITIES

•2002-2004: THEORETICAL MODELING of simple organic molecules with HyperChem.

Chimie Physique Electronique de LYON (C.P.E.), Villeurbanne (FRANCE).

•1997-1999: QUANTUM MECHANICS OF THE CHEMICAL BOND.

Université Claude Bernard (LYON I), Villeurbanne (FRANCE).

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SUPERVISOR ACTIVITIES

•2005-2008: Cosupervisor of Céline Dupont, PhD student of ENS Lyon, France.

•2006-2009: Cosupervisor of Georgios Fradelos, PhD student, MONET network.

•2004-2006: Cosupervisor of Jan Haubrich (5 months at Lyon, Marie-Curie researcher training network), German PhD student, University of Bonn, Germany.

•2004-2005: Cosupervisor of Céline Dupont, master student of ENS Lyon, France.

 •May-July 2004: Cosupervisor of Enrico Burello, Dutchman PhD student, University of Amsterdam, Netherlands.

 •June 2004: Supervisor of Florence Turpin, master student of Université Claude Bernard, Lyon I, France.

 •2002-2003: Cosupervisor of Stéphanie Perret, master student of ENS Lyon, France.

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SEMINARS AND INVITED CONFERENCES

• D. Loffreda, invited seminar, "Adsorption, reactivity and selectivity in heterogeneous catalysis: a first-principles theory approach", Bonn, Germany, Institüt für Physikalische und Theoretische Chemie, March 6-9^th 2006.

• D. Loffreda, invited conference, "Chemo-regioselectivity in heterogeneous catalysis: competitive routes for C=O and C=C hydrogenations from theory", Berlin, Germany, ICTAC-11 Congress, June 11-14^th 2006.

• J. Haubrich, D. Loffreda, F. Delbecq, Y. Jugnet, P. Sautet, A. Krupski, C. Becker, K. Wandelt, conference, "Characterization of complex adsorption structures of multifunctional molecules by joint experimental and theoretical studies: unsaturated aldehydes on Pt(111) and Pt-Sn surface alloys",ECOSS-24 (European Congress On Surface Science), Paris, France, September 4-8th 2006.

• D. Loffreda, invited lecture, "Adsorption and vibrations of a molecule on a metallic surface: the role of theory", Aussois, France, Spring School, Nouveaux Outils pour l'Etude in situ des Surfaces et Nano-objets, May 8-13^th 2005.

• D. Loffreda, L. Piccolo and P. Sautet, seminar, "Lifting the missing-row reconstruction of Au(110)-(1x2) under high CO pressure from first-principles calculations", CECAM Worshop "In Situ Atomic Scale Characterization of Surfaces under High Pressures: Recent Advances in Experiment and Theory", Lyon, November 4-6th 2004.

• L. Piccolo, D. Loffreda, F.J. Cadete Santos Aires, C. Deranlot, Y. Jugnet, P. Sautet and J.C. Bertolini, conference, "The adsorption of CO on Au(111) at elevated pressures studied by STM, RAIRS and DFT calculations", ECOSS-22 (European Congress On Surface Science), Prague (République Tchèque), September 7-12th 2003.

• D. Loffreda, D. Simon and P. Sautet, conference, "Surface structure sensitivity for NO dissociation on palladium and rhodium surfaces", IX International Conference on Theoretical Aspects of Catalysis, Zakopane, Pologne, June 25-30th 2002.

• D. Loffreda, seminar, Laboratoire de Chimie Théorique (Prof. J. L. Rivail), "Modélisation théorique de la réactivité de la molécule NO sur les surfaces de palladium, de rhodium et d'alliages palladium-manganèse", Vandoeuvre-Les-Nancy, France, April 21st 2000.

• D. Loffreda, D. Simon et P. Sautet, seminar, "Dépendance de la fréquence d'élongation en fonction du taux de recouvrement et des interactions adsorbats-adsorbats dans le cas de la chimisorption de CO sur Pd (111)", Première Réunion des Physico-Chimistes Théoriciens Rhône-Alpes, Villeurbanne, France, March 9th 1999.

• D. Loffreda, V. Ledentu and P. Sautet, seminar, "A theoretical study of the adsorption of chlorine and trichloroethene on PdCu (110) surfaces", Second Annual Meeting of the E.A.L. (LCIC/IRC), Villeurbanne, France, November 26-27th 1999.

• D. Loffreda, D. Simon and P. Sautet, conference, "Is NO bridge on Pd and Rh (111)? A relation between vibrational frequency and chemisorption site", 7^th International Conference on Theoretical Aspects of Heterogeneous Catalysis, Downing College, Cambridge, U.K. August 25-28th 1998.

• D. Loffreda, D. Simon et P. Sautet, seminar, "Relation entre les fréquences d'élongation des molécules NO et CO et leurs sites d'adsorption sur les surfaces métalliques de palladium et de rhodium (111) : une approche de type DFT ", Sixième Réunion des Chimistes Théoriciens Français, Lille, France, October 13-16th 1998.

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Formation, research fields

Teaching activities

Supervisor activities

Seminars and invited conferences