Mouna Ben Yahia

Maître de conférences - UM

A propos

Institut Charles Gerhardt Montpellier

Mouna Ben Yahia
Permanent - MC, Equipe D5
ICGM - UMR 5253
CC1501
Place Eugène Bataillon
Bât. 15 - RDC
34095 Montpellier cedex 5

04 67 14 46 11
mouna.ben-yahia@univ-montp2.fr

Depuis Sep. 2010 : Maître de conférences à l’université de Montpellier 2
2009-2010 : Stage post-doctoral à l’université de Montpellier 2 dans l’équipe PMDP
2007-2009 : Stage post-doctoral à l’université de Montpellier 2 dans l’équipe CTMM- 2006-2007 : Stage post-doctoral à la faculté des sciences de Limoges dans l’équipe SPCTS
- 2003-2006 : Thèse en chimie théorique du solide à l’université de Rennes 1 sous la direction de J.-Y. Saillard et J.-François Halet
2002-2003 : DEA en Chimie Informatique et Théorique à l’université de Rennes

Claire Villevieille et Petr Novak, Institut Paul Sherrer
Basma Belgacem et Rached Ben Hassen, Université de Tunis El Manar

Chimie : Licence, Master

Thème de Recherche

Modélisation des matériaux pour la production et le stockage de l’énergie
Modélisation des matériaux à des fins thérapeutiques
Modélisation des propriétés spectroscopiques (Raman et Infrarouge)
Modélisation des propriétés optiques linéaire et non-linéaire

Demo

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Demo

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2021

Arthur Hagopian, Aurelie Falcone, Mouna Ben Yahia and Jean-Sébastien Filhol
Ab initio modelling of interfacial electrochemical properties: beyond implicit solvation limitations,
J. Phys.-Condes. Matter 2021, 33, 304001

2020

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

2019

Mouna Ben Yahia, Jean Vergnet, Matthieu Saubanère and Marie-Liesse Doublet
Unified picture of anionic redox in Li/Na-ion batteries,
Nat. Mater. 2019, 18, 496-502

2018

Ali Darwiche, Marcus Fehse, Abdelfattah Mahmoud, Camille Fontaine, Bernard Fraisse, Raphael P. Hermann, Marie-Liesse Doublet, Laure Monconduit, Moulay T. Sougrati, Mouna Ben Yahia and Lorenzo Stievano
The Electrochemical Sodiation of Sb Investigated by Operando X-ray Absorption and ¹²¹Sb Mössbauer Spectroscopy: What Does One Really Learn?,
Batteries 2018, 4, 25

2016

R. Essehli, H. Ben Yahia, K. Maher, M.T. Sougrati, A. Abouimrane, J.-B. Park, Y.-K. Sun, M. A. Al-Maadeed and I. Belharouak
Unveiling the sodium intercalation properties in Na_1.86□_0.14Fe₃(PO₄)₃,
J. Power Sources 2016, 324, 657-664
Lucien Boulet-Roblin, Claire Villeveille, Philippe Borel, Cecile Tessier, Petr Novak and Mouna Ben Yahia
Versatile Approach Combining Theoretical and Experimental Aspects of Raman Spectroscopy To Investigate Battery Materials, The Case of the LiNi_0.5Mn_1.5O₄ Spinel,
J. Phys. Chem. C 2016, 120, 16377-16382

2015

Matthieu Saubanère, Mouna Ben Yahia, Frédéric Lemoigno and Marie-Liesse Doublet
Influence of polymorphism on the electrochemical behavior of M_xSb negative electrodes in Li/Na batteries,
J. Power Sources 2015, 280, 695-702

2014

Matthieu Saubanère, Mouna Ben Yahia, Sébastien Lebègue and Marie-Liesse Doublet
An intuitive and efficient method for cell voltage prediction of lithium and sodium-ion batteries,
Nat. Commun. 2014, 5, 5559
Marcus Fehse, Mouna Ben Yahia, Laure Monconduit, Frédéric Lemoigno, Marie-Liesse Doublet, Florent Fischer, Cécile Tessier and Lorenzo Stievano
New Insights on the Reversible Lithiation Mechanism of TiO₂(B) by Operando X-ray Absorption Spectroscopy and X-ray Diffraction Assisted by First-Principles Calculations,
J. Phys. Chem. C 2014, 118, 27210-27218

2013

Denise Cunha, Mouna Ben Yahia, Shaun Hall, Stuart R. Miller, Hubert Chevreau, Erik Elkaïm, Guillaume Maurin, Patricia Horcajada and Christian Serre
Rationale of Drug Encapsulation and Release from Biocompatible Porous Metal-Organic Frameworks,
Chem. Mater. 2013, 25, 2767-2776
Sabine Devautour-Vinot, Charlotte Martineau, Diaby Sekou, Mouna Ben Yahia, Stuart R. Miller, Christian Serre, Patricia Horcajada, Denise Cunha, Franics Taulelle and Guillaume Maurin
Caffeine Confinement into a Series of Functionalized Porous Zirconium MOFs: a Joint Experimental/Modelling Exploration,
J. Phys. Chem. C 2013, 117, 11654-11704

2012

Mouna Ben Yahia, Frédéric Lemoigno, Gwenaëlle Rousse, Florent Boucher, Jean-Marie Tarascon and Marie-Liesse Doublet
Origin of the 3.6V to 3.9V voltage increase in the LiFeSO₄F cathodes for Li-Ion Batteries,
Energy Environ. Sci. 2012, 5, 9584-9594

2011

T. Chalati, Patricia Horcajada, Patrick Couvreur, Christian Serre, Mouna Ben Yahia, Guillaume Maurin and Ruxandra Gref
Porous metal organic framework nanoparticles to address the challenges related to busulfan encapsulation,
Nanomedicine 2011, 6, 1683-1695
Andrew Wiersum, Q Y. Yang, B. Moulin, V. Guillerm, Mouna Ben Yahia, S. Bourrelly, Alexandre Vimont, C. Vagner, Marco Daturi, Guillaume Clet, Guillaume Maurin and P L. Llewellyn
An Evaluation of UiO-66 for Gas-Based Applications,,
Chem.-Asian J. 2011, 6, 3270-3280
Cécil Combelles, Mouna Ben Yahia, Laurent Pedesseau and Marie-Liesse Doublet
Fe^II/Fe^III mixed-valence state induced by Li-insertion into the metal-organic-framework Mil53(Fe), A DFT+U study,
J. Power Sources 2011, 196, 3426-3432

2010

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
Cécil Combelles, Mouna Ben Yahia, Laurent Pedesseau and Marie-Liesse Doublet
Design of Electrode Materials for Lithium-Ion Batteries, The Example of Metal-Organic Frameworks,
J. Phys. Chem. C 2010, 114, 9518-9527

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

Mouna Ben Yahia,
Versatile Approach Combining Theoretical and Experimental Aspects of Raman Spectroscopy To Investigate Battery Materials,
«5th International Conference on Physical and Theoretical Chemistry», Edimburgh, Royaumes Unies, 11-13 octobre 2018,
Mouna Ben Yahia,
Solid state properties rationalization by means of ab initio calculation,
«4 th School on Crystal Structure Determination from Diffraction Data; Application on Powder samples», Hammamet, Tunisie, 06-09 avril 2017,
Mouna Ben Yahia,
ab initio calculations of miscroscopic and macroscopic properties of molecular and solid sate systems,
«3 rd School on Crystal Structure Determination from Diffraction Data; Application on Powder samples», Sousse, Tunisie, 09-12 avril 2015,

2018

Mouna Ben Yahia,
Combining Theoretical and Experimental aspects of raman spectroscopy to investigate Battery material
«Matériaux 2018», Strasbourg, 19-23 novembre 2018,

2017

Mouna Ben Yahia,
Versatile Approach Combining Theoretical and Experimental, the case of of LiNi0.5Mn1.5O4 spinel
«LiBD2017-Lithium Batteries Discussion», Arcachon-France, 13-16 juin 2017,

2016

Mouna Ben Yahia,
Modelisation of Raman spectroscopy to understand the reaction mechanisms of LiNi0.5Mn1.5O4 in Li-ion batteries
«MRS Fall meeting», Boston, USA, 27 novembre - 03 décembre 2016,

2015

Mouna Ben Yahia, Matthieu Saubanère, Frédéric Lemoigno, Marie-Liesse Doublet,
Rationalisation des propriétés électrochimiques des électrodes négatives AxSb dans les batteries Na/Li-ion
«JA 2015, Journées Annuelles de la SF2M 2015», Paris, 26-28 octobre 2015,
Mouna Ben Yahia, Matthieu Saubanère, Frédéric Lemoigno, Marie-Liesse Doublet,
Rationalization of the electrochemical properties of AxSb negative electrodes in Li/Na-ion batteries
«Emrs-spring meeting», Lille, France, 11-15 mai 2015,

2013

Mouna Ben Yahia,
Origin of the Voltage increase in the LiFeSO4F Cathodes
«ECSSC14-14th European Conference on Solid State Chemistry», Bordeaux, 07-09 juillet 2013,
Mouna Ben Yahia,
Origin of the 3.6V to 3.9V Voltage increase in the LiFeSO4F Cathodes for Li-Ion Batteries
«LiBD2013-Lithium Batteries Discussion», Arcachon, 16-21 juin 2013,

2011

Mouna Ben Yahia, Marie-Liesse Doublet, Abbas Hoddj, Jean-François Pierson,
Theoretical Study of Optical and Thermodynamic Properties of Ternary Transition Metal Nitrides
«MRS Spring meeting», San Francisco, 26-29 avril 2011,

2009

Mouna Ben Yahia, Frédéric Lemoigno, Jean-Sébastien Filhol, Marie-Liesse Doublet, ,
Updated references for the structural, electronic and vibrational properties of TiO2(B) bulk using first-principles DFT calculations
«MRS-spring Meeting», Singapour, 26 juin - 01 juillet 2009,

2008

Mouna Ben Yahia, Frédéric Lemoigno, Jean-Sébastien Filhol, Marie-Liesse Doublet, ,
Etude des propriétés structurales, spectroscopiques et électrochimiques du composé TiO2(B)
«Réunion des Chimistes Théoriciens Francophones», Dinard, 03-07 juillet 2008,

2007

Mouna Ben Yahia, Emanuelle Orhan, Olivier Masson, Andre Mirgorodski, Therese Merle-Méjean, Philippe Thomas,
Origin of the nonlinear optical properties in tellurium IV oxides
«XXIst International Congress on Glass», Strasbourg, 01-06 juillet 2007,

2009

Institut Charles Gerhardt Montpellier - Direction

UMR 5253 - CNRS/UM/ENSCM

Pôle Chimie Balard Recherche
CC 043 - 1919 route de Mende
34293 Montpellier cedex 5
Tel: +33 (0)4 67 61 36 14
Email: direction@icgm.fr

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