Jean Sébastien Filhol

Professeur

Directeur du Département de Chimie

A propos

Institut Charles Gerhardt Montpellier

Jean-Sébastien Filhol
Enseignant-Chercheur - Pr2, Equipe CTMM, Bureau 0

ICGM - Equipe CTMM
c.c. 1501
Place E. Bataillon
34095 Montpellier cedex 5

04 67 14 46 19
jean-sebastien.filhol@univ-montp2.fr

2015-présent : Professeur de Chimie Théorique à l’Université de Montpellier et à l’Institut Charles Gerhardt
2014-présent : Directeur du Département d’enseignement de Chimie de la Faculté des Sciences de Montpellier
2003-2015 : Maître de conférences à l’Université Montpellier II
2010 : Habilitation à Diriger des Recherches (HDR)
2011-présent : Jury de l’Agrégation de Chimie
2002-2003 : Stage Post Doctoral à la School of Physics, University of Exeter (UK) (Europe, réseau Renibel)
2001-2002 : Stage Post Doctoral au Laboratoire de M. Neurock du Chemical Engineering Department, University of Virginia (USA)
1998-2001 : Thèse de Doctorat (discipline : chimie-physique théorique) de l’Ecole Normale Supérieure de Lyon sous la direction de Philippe Sautet
1997-1998 : DEA en Sciences de la matière condensée, surfaces et interfaces (Université Lyon I). Mention Très Bien
Magistère des Sciences de la Matière, de l’Ecole Normale Supérieure de Lyon, mention Bien
1996-1997 : Agrégation de Sciences Physiques option Chimie
1995-1996 : Maîtrise de Chimie Physique de l’Ecole Normale Supérieure de Lyon, Mention Assez Bien – 2ème année de Magistère des Sciences de la Matière (Université Claude Bernard Lyon-I)
1994-1995 : Licence de Chimie Physique de l’Ecole Normale Supérieure de Lyon, Mention Assez Bien – 1ère année de Magistère des Sciences de la Matière (Université Claude Bernard Lyon-I)
Sept. 1994 : Intégration à l’Ecole Normale Supérieure de Lyon comme élève normalien.

2004-présent : Enseignement à l’université de Montpellier II :210 H/an
2012-2014 : Responsable de l’UE CH202 de Chimie à l’Université Montpellier 2 (850 étudiants)
2007-2012 : Responsable de l’UE CH101 de Chimie à l’Université Montpellier 2 (1350 étudiants)
2007-présent : Enseignement de M2 en chimie théorique des surfaces et interfaces au Label de Chimie Théorique Sud-Ouest : 8H
2005-présent : Enseignant prépa CAPES UM2 (70Heq TD/an)
2005-présent : Co-créateur de l’enseignement Sciences Magiques : http://www.chimiemagique.fr/
2007-2008 : Enseignant (chimie du solide) à la préparation à l’agrégation de sciences physique option chimie (Cachan) : 12H

Thème de Recherche

Modélisation des surfaces et interfaces en condition électrochimique
Modélisation des matériaux pour l’énergie
Modélisation des relations structures propriétés dans les polymères diacétyléniques
Didactique des travaux pratiques de Chimie

Demo

PUBLICATION LINK

Demo

PUBLICATION LINK

Brevets

Procédé de synthèse d’aluminates de métaux alcalino-terreux. J.-S. Filhol, D. Zitoun, A. Manteghetti Brevet français (18/10/2007) FR 2922545

Curriculum Vitae

Retour en haut

2020

Anja Kopac Lautar, Arthur Hagopian and Jean-Sébastien Filhol
Modeling interfacial electrochemistry: concepts and tools,
Phys. Chem. Chem. Phys. 2020, 22, 10569-10580
Leila Ben Amor, Besma Belgacem, Jean-Sébastien Filhol, Marie-Liesse Doublet, Mouna Ben Yahia and Rached Ben Hassen
New p-type Al-substituted SrSnO₃ perovskites for TCO applications?,
Chem. Commun. 2020, 56, 2566-2569
Anja Kopač Lautar, Jan Bitenc, Tomaž Rejec, Robert Dominko, Jean-Sébastien Filhol and Marie-Liesse Doublet
Electrolyte Reactivity in the Double Layer in Mg Batteries: An Interface Potential-Dependent DFT Study,
J. Am. Chem. Soc. 2020, 142, 5146-5153
Karine Molvinger, Rose-Marie Marin-Ayral and Jean-Sébastien Filhol
Integrating Lecture and Laboratory Work for a Materials Chemistry Course to Engage and Motivate Students through Highly Visual and Intriguing Syntheses,
J. Chem. Educ. 2020, 97, 866-872

2018

Jean-Sébastien Filhol, Arie Van Der Lee, Gilles Roche, Guillaume Wantz, Joël J E. Moreau and Olivier J. Dautel
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion,
Chem. Sci. 2018, 9, 3948-3956
Alysson Duarte Rodrigues, Karim Fahsi, Xavier Dumail, Nathalie Masquelez, Arie Van Der Lee, Sonia Mallet-Ladeira, Romain Sibille, Jean-Sébastien Filhol and Sylvain G. Dutremez
Joint Experimental and Computational Investigation of the Flexibility of a Diacetylene-Based Mixed-Linker MOF: Revealing the Existence of Two Low-Temperature Phase Transitions and the Presence of Colossal Positive and Giant Negative Thermal Expansions,
Chem.-Eur. J. 2018, 24, 1586-1605
Jean-Sébastien Filhol, Anne-Laure Dalverny, Géraldine Leyral, Florence Rouessac and Laurent Bernaud
Synthesizing and Playing with Magnetic Nanoparticles, A Comprehensive Approach to Amazing Magnetic Materials,
J. Chem. Educ. 2018, 95, 121-125

2016

Aude Giard, Jean-Sébastien Filhol, Franck Jolibois, Florine Cavelier and Dorothée Berthomieu
Prediction of pKa Using DFT: the Nicotianamine Polyacid Example,
J. Chem. Theory Comput. 2016, 12, 5493-5500

2015

Stephan Steinmann, Carine Michel, Renate Schwiedernoch, Jean-Sébastien Filhol and Philippe Sautet
Modeling the HCOOH/CO₂ Electrocatalytic Reaction, When Details Are Key,
ChemPhysChem 2015, 16, 2307-2311
Nicolas Lespes and Jean-Sébastien Filhol
Using Implicit Solvent in Ab Initio Electrochemical Modeling, Investigating Li⁺/Li Electrochemistry at a Li/Solvent Interface,
J. Chem. Theory Comput. 2015, 11, 3375-3382
Nicolas Lespes and J -S. Filhol
Using the electrochemical dimension to build water/Ru(0001) phase diagram,
Surf. Sci. 2015, 631, 8-16

2014

Jean-Sébastien Filhol and Marie-Liesse Doublet
Conceptual Surface Electrochemistry and New Redox Descriptors,
J. Phys. Chem. C 2014, 118, 19023-19031

2013

Géraldine Leyral, Laurent Bernaud, Alain Manteghetti and Jean-Sébastien Filhol
Microwave Synthesis of a Fluorescent Ruby Powder,
J. Chem. Educ. 2013, 90, 1380-1383
Mikhail Mamatkoulov and Jean-Sébastien Filhol
Intrinsic Electrochemical and Strain Effects in Nanoparticle,
J. Phys. Chem. C 2013, 117, 2334-2343
Jean-Sébastien Filhol and Marie-Liesse Doublet
An ab initio study of surface electrochemical disproportionation, The case of a water monolayer adsorbed on a Pd(1 1 1) surface,
Catal. Today 2013, 202, 87-97

2011

Mikha¨il Mamatkoulov and Jean-Sébastien Filhol
An ab initio study of electrochemical vs. electromechanical properties, the case of CO adsorbed on a Pt(111) surface,
Phys. Chem. Chem. Phys. 2011, 13, 7675-7684
Anne-Laure Dalverny, Jean-Sébastien Filhol and Marie-Liesse Doublet
Interface Electrochemistry in Conversion Reactions for Li-Ion Batteries,
J. Mater. Chem. 2011, 21, 10134-10142

2010

Anne-Laure Daleverny, Jean-Sébastien Filhol, Frédéric Lemoigno and Marie-Liesse Doublet
Interplay between Magnetic and Orbital Ordering in the Strongly Correlated Cobalt Oxide, A DFT + U Study,
J. Phys. Chem. C 2010, 114, 21750-21756
Jérome Deschamps, Mirela Balog, Bruno Boury, Mouna Ben Yahia, Jean-Sébastien Filhol, Arie Van Der Lee, Antoine Al Choueiry, Thierry Barisien, Laurent Legrand, Michel Schott and Sylvain Dutremez
Tuning Topochemical Polymerization of Diacetylenes, A Joint Synthetic, Structural, Photophysical, and Theoretical Study of a Series of Analogues of a Known Reactive Monomer, 1,6-Bis(diphenylamino)-2,4-hexadiyne (THD),
Chem. Mater. 2010, 22, 3961-3982
R M. Laine, S. Sulaiman, C. Brick, M. Roll, R. Tamaki, M Z. Asuncion, M. Neurock, Jean-Sébastien Filhol, C -Y. Lee, J. Zhang, T. Goodson, M. Ronchi, M. Pizzotti, S C. Rand and Y. Li
Synthesis and photophysical properties of stilbeneoctasilsesquioxanes. Emission behavior coupled with theoretical modeling studies suggest a 3-D excited state involving the silica core.,
J. Am. Chem. Soc. 2010, 132, 3708-3722
A. Al Choueiry, T. Barisien, J. Holcman, L. Legrand, M. Schott, G. Weiser, Mirela Balog, Jérôme Deschamps, Sylvain Dutremez and Jean-Sébastien Filhol
Twisted polydiacetylene quantum wire, Influence of conformation on excitons in polymeric quasi-one-dimensional systems,
Phys. Rev. B 2010, 81, 125208

2009

Mouna Ben Yahia, Frédéric Lemoigno, Thomas Beuvier, Jean-Sébastien Filhol, Mireille Richard-Plouet, Luc Brohan and Marie-Liesse Doublet
Updated references for the structural, electronic, and vibrational properties of TiO₂(B) bulk using first-principles density functional theory calculations,
J. Chem. Phys. 2009, 130, 204501
Jean-Sébastien Filhol, Jérôme Deschamps, Sylvain G. Dutremez, Bruno Boury, Thierry Barisien, Laurent Legrand and Michel Schott
Polymorphs and Colors of Polydiacetylenes: A First Principles Study,
J. Am. Chem. Soc. 2009, 131, 6976-6988
Jean-Sébastien Filhol, David Zitoun, Laurent Bernaud and Alain Manteghetti
Microwave Synthesis of a Long-Lasting Phosphor,
J. Chem. Educ. 2009, 89, 72

2008

Kamel Chougrani, Jérome Deschamps, Sylvain Dutremez, Arie Van Der Lee, Thierry Barisien, Laurent Legrand, Michel Schott, Jean-Sébastien Filhol and Bruno Boury
Red Ionic Water-Soluble Imidazolium-Containing Polydiacetylene,
Macromol. Rapid Commun. 2008, 29, 580-586
Jean-Sébastien Filhol, Cécil Combelles, Rachid Yazami and Marie-Liesse Doublet
Phase Diagrams for Systems with Low Free Energy Variation: A Coupled Theory/Experiments Method Applied to Li-Graphite,
J. Phys. Chem. C 2008, 112, 3982-3988

2007

J.-S Filhol and M.-L. Bocquet
Charge control of the water monolayer/Pd interface,
Chem. Phys. Lett. 2007, 438, 203-207

2006

Christopher D. Taylor, Sally A. Wasileski, J S. Filhol and M. Neurock
First principles reaction modeling of the electrochemical interface: Consideration and calculation of a tunable surface potential from atomic and electronic structure,
Phys. Rev. B 2006, 73, 165402
Xavier Solans-Monfort, Jean-Sébastien Filhol, Christophe Copéret and Odile Eisenstein
Structure, spectroscopic and electronic properties of a well defined silica supported olefin metathesis catalyst, [( SiO)Re( CR)( CHR)(CH₂R)], through DFT periodic calculations : silica is just a large siloxy ligand,
New J. Chem. 2006, 30, 842
J.-S. Filhol and M. Neurock
Elucidation of the Electrochemical Activation of Water over Pd by First Principle,
Angew. Chem.-Int. Edit. 2006, 45, 402-406

2005

Debora Prezzi, Tomas A G. Eberlein, Robert Jones, J.-S. Filhol, J. Coutinho, M J. Shaw and Patrick R. Briddon
Electrical activity of Er and Er-O centers in silicon,
Phys. Rev. B 2005, 71, 45203

2004

X W. Zhou, H N G. Wadley, J S. Filhol and M. Neurock
Charge transfer-embedded atom method potentials for O-Al-Zr system,
Phys. Rev. B 2004, 69, 35402
J S. Filhol, R. Jones, M J. Shaw and P R. Briddon
Structure and electrical activity of rare-earth dopants in GaN,
Appl. Phys. Lett. 2004, 84, 2841
J S. Filhol, D. Simon and P. Sautet
Understanding the High Activity of a Nanostructured Catalyst Obtained by a Deposit of Pd on Ni: First Principle Calculations,
J. Am. Chem. Soc. 2004, 126, 3228
Debora Prezzi, Tomas A G. Eberlein, J.-S. Filhol, Robert Jones, M J. Shaw, Patrick R. Briddon and S. Öberg
Optical and electrical properties of vanadium and erbium in 4H-SiC,
Phys. Rev. B 2004, 69, 93202
J.-S. Filhol, Robert Jones, M J. Shaw and Patrick R. Briddon
Structure and electrical activity of rare-earth dopants in GaN,
Applied Physical Letter 2004, 84, 2841

2003

J S. Filhol, D. Simon and P. Sautet
Ethylene adsorption and coadsorption with H on a Pd(110) surface: a first principles theoretical study,
J. Phys. Chem. B 2003, 107, 1604

2002

J S. Filhol, M C. Saint Lager, D. Simon, P. Sautet, P. Dolle and J C. Bertolini
Highly strained structure of a four layer deposit of Pd on Ni(110) : a coupled theoretical and experimental study,
Phys. Rev. Lett. 2002, 89, 146106

2001

J S. Filhol, D. Simon and P. Sautet
Stress induced nanostructure in a Pd monolayer on Ni(110): a first principles theoretical study,
Surf. Sci. 2001, 472, L139
J S. Filhol, D. Simon and P. Sautet
A surface phase stability diagram for Pd deposits on Ni(110): a first principles theoretical study,
Phys. Rev. B 2001, 64, 085412

1996

P F. Wang, L. Julien, B. Valeur, J S. Filhol, J. Canceill and J M. Lehn
Multichromophoric cyclodextrins. Antenna induced unimolecular photoreaction. Photo-isomerization of a nitrone,
New J. Chem. 1996, 20, 895

Jean-Sébastien Filhol,
Interface Electrochemistry.,
«7th Chinese-French Workshop in Theoretical Chemistry», Toulouse, 12-15 mai 2019,
Jean-Sébastien Filhol,
Insights into electrochemical modelling and effects at interaces,
«The electrode potential in electrochemistry-A Challenge for electronic structure theory calculations», Gunzburg, 26-29 novembre 2017,
Jean-Sébastien Filhol, Jean-Sébastien Filhol, N. Lespes
Ab initio study of the Solvent-Electrode Interface in Li/Ion battery Materials,
«MSE 2016, Darmstadt, Germany», Darmstadt, 27-29 septembre 2016,
Jean-Sébastien Filhol, Nicolas Lespes, Marie-Liesse Doublet,
Using the electrochemical dimension for modeling surface and interfaces for energy materials,
«Total Energy and Force Methods 2016», Luxembourg, 11-13 janvier 2016,
Jean-Sébastien Filhol, N. Lespès
Modeling Electrochemical Processes at the Solvent-Electrode Interface,
«ISE 67th international meeting», The Hague, Netherlands, 21-26 août 2016,
Jean-Sébastien Filhol, Nicolas Lespes, Marie-Liesse Doublet,
Ab Initio Modeling of the Solvent-Metal Electrochemical Interface,
«Baccara & Hi-C joined Meeting, 2015», Tours, 6-7 octobre 2015,
Jean-Sébastien Filhol, Marie-Liesse Doublet, Nicolas Lespes,
Including the electrochemical dimension into surface modelling and understanding,
«WATOC 2014», Santiago, Chile, 5-10 octobre 2014,
Jean-Sébastien Filhol, Marie-Liesse Doublet, Nicolas Lespes,
Ab Initio Electrochemistry at Interfaces: Tools for Predicting Energy Materials Properties,
«MSE 2014», Darmstadt, Germany, 23-25 septembre 2014,
Jean-Sébastien Filhol, Mikhaïl Mamatkoulov, Marie-Liesse Doublet,
Conceptual Electrochemistry at Interfaces,
«The 64th Annual Meeting of the International Society of Electrochemistry», Queretaro, Mexico, 8-13 septembre 2013,
Jean-Sébastien Filhol, Marie-Liesse Doublet, Mickhail Mamatkulov
Electrochemical Vs. Electromechanical Effects: Rationalizing Electrochemical Reactivity at Interfaces,
«11th spring meeting of the international electrochemical society», Washington, 23-25 mai 2012,
Jean-Sébastien Filhol,
Ab initio study of water-metal interfaces: the impact of electrochemistry,
«Quantitative Micro-Nano Project», Idaho Falls, USA, 10-16 juin 2012,
Jean-Sébastien Filhol,
Rationalizing the Electrochemical effects on Surfaces,
«Elementary reaction steps in electrocatalysis: Theory meets experiment», Castle Reisensburg (Allemagne), 28-31 octobre 2012,
Jean-Sébastien Filhol,
Electrochemistrie ab initio,
«GDR CoDFT 2011», Obernai, 27-30 juin 2011,
Jean-Sébastien Filhol,
Nanosciences et approches artistiques,
«soirée spéciale et festive « dépassement des frontières »», Poitiers, 13 octobre 2011,
Jean-Sébastien Filhol,
« Ab Initio Electrochemistry »,
«Worshop CECAM « Ab Initio Electrochemistry »», Lausanne Suisse, juillet 2010,
Jean-Sébastien Filhol,
Ab initio electrochemistry for bulk and interfacial energy materials,
«TYC:Energy materials: electro- and photo-chemical interfaces and devices”», Londres, 7-9 septembre 2010,
Jean-Sébastien Filhol, M. Neurock, M.-L. Bocquet
Electrochemistry at metal surfaces,
«CERC3-YCM modeling of complex systems», Perugia, Italie, 01/05-04/05 mai 2008,

2019

Jean-Sébastien Filhol, Anja Kopac-Lautar, Marie-Liesse Doublet,
Ab initio insights into the interplay between electrochemistry and solvent at interfaces in batteries Part I
«IUPAC Paris 2019», Paris, 05-12 juillet 2019,
Jean-Sébastien Filhol, Anja Kopac-Lautar, Marie-Liesse Doublet,
Ab initio insights into the interplay between electrochemistry and solvent at interfaces in batteries. Part II
«IUPAC Paris 2019», Paris, 05-12 juillet 2019,
Jean-Sébastien Filhol,
Chemistry of materials: the magical chemistry experience
«IUPAC Paris 2019», Paris, 05-12 juillet 2019,
Jean-Sébastien Filhol, Anja Kopac-Lautar, Arthur Hagopian,
Interfaces électrochimiques
«Rencontres Prospectives 2019 : Modélisations multi-échelles», Nantes, 11-13 juin 2019,
Jean-Sébastien Filhol, Anja Kopac-Lautar,
Solvent stability in Mg/Ion Batteries: an ab initio study
«Solvate 2019», Lyon, 4-5 février 2019,

2013

Jean-Sébastien Filhol,
Electrochimie Conceptuelle Ab Initio
«GDR-CoDFT 2013», Obernai, 21-24 mai 2013,

2012

Jean-Sébastien Filhol, Sylvain Dutremez, T. Barisien, L. Legrand, M. Schott,
Polychromisme, polymorphisme et polymères
«Journée des polymeristes languedociens 2012», Montpellier, 10 décembre 2012,

2009

Jean-Sébastien Filhol, Sylvain Dutremez, M. Schott,
Polychromisme, polymorphisme et polymères
«GDR DFT++ 2009», Dourdan, 03-06 février 2009,

2008

Jean-Sébastien Filhol, Marie-Liesse Doublet, Cécil Combelles, ,
Systèmes dominés par l’entropie : application au Li-graphite
«11ième RCTF», Dinard, France, 30 juillet - 04 août 2008,

2007

Jean-Sébastien Filhol,
Electrochimie à l'interface métal-eau
«GDR DFT++», Autran, 27-30 mars 2007,

2011

2007

2019

Isabelle Bonnamour, Jean-Sébastien Filhol, Frédéric Lemoigno, Jean-Yves Winum and Nathalie Perol
Mémo visuel de chimie générale,
Journal non précisé, , 2019.

2016

Matthieu Saubanère, Jean-Sébastien Filhol and Marie-Liesse Doublet
Atomistic Modeling of Electrode Materials for Li-Ion Batteries: From Bulk to Interfaces, 1-36
Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage,
Éditions Alejandro A. Franco, Marie Liesse Doublet, Wolfgang G. Bessler, , 2016.

espaceur 2009

Synthesis of alkaline earth metal aluminates comprises preparing aqueous solution of stoichiometric aluminum salt, alkaline earth metals and dopants, adding organic fuel, heating the solution and washing, filtering and drying
D. Zitoun, J. S. Filhol, A. Manteghetti,
FR20070007293(2009)
Déposé par: CNRS,

Institut Charles Gerhardt Montpellier - Direction

UMR 5253 - CNRS/UM/ENSCM

Université de Montpellier
Place Eugène Bataillon
CC 1700 - Bâtiment 17 -1er étage
Tel: +33 (0)4 67 14 93 50
Email: direction@icgm.fr

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