Christine Mottet

Axe

Théorie et Simulation Numérique

E-mail

mottet@cinam.univ-mrs.fr

Phone

+33(0)6 60 30 28 09

Fax

+33(0)4 91 41 89 16

Localisation

R3

Grade

DR2

Fonction

chercheur

mottet.jpg

Activité

Computational Material Science, Surfaces and interfaces, Metallic clusters: structure and dynamics, Nanoalloys

Thèmes

* Physique du Solide * Sciences des Matériaux * Simulations Numériques (Dynamique Moléculaire, Monte Carlo) * Potentiels semi-empiriques en Liaisons Fortes * Calculs ab initio (Théorie de la Fonctionelle de la Densité) * Surfaces et interfaces * Agrégats métalliques: structure and dynamique * Nanoalliages

Recherche

Modélisation de la structure et de dynamique des agrégats métalliques libres et supportés, systèmes de taille nanométrique intermédiaires entre la molécule et le solide. Ils présentent des propriétés remarquables, notamment en catalyse hétérogène, magnétisme ou optique. D'un point de vue théorique, ces systèmes de faible symétrie, avec un nombre d'atomes plus ou moins élevé, peuvent être traités de manière ab initio dans la limite des très petites tailles mais nécessitent des méthodes semi-empiriques plus légères pour des tailles de quelques nm et également en vue d'un traitement statistique (recherche de la structure d'équilibre dans l'espace des configurations) ou dynamique (croissance, transitions de phases).

Parcours

- actuellement DR2 au CINaM. - 1999: recrutement CR2 au CRMC2-CNRS, Marseille en section 06. - de 1998 à 1999: ATER à l'Université de Provence et Institut de Recherche sur les Phenomenes Hors Equilibre (IRPHE), Marseille, France, dans le groupe de G. Albinet. - de 1997 à 1998: Post-doc au Dipartimento di Fisica de l'Université de Gênes, Italie, Centro per la Fisica delle Superfici e delle Basse Temperature (CFSBT), dans le groupe de R. Ferrando et A. Levi. - de 1994 à 1997: Thèse au CRMC2 sous la direction de Guy Tréglia.

Publications

2019

Bidimensional phases in Co–Pt surface alloys: A theoretical study of ordering and surface segregation

Front Alexis, Bernard Legrand, Guy Treglia, Christine Mottet

Surface Science 679:128-138 (2019)10.1016/j.susc.2018.08.024

Order-disorder or phase-separation transition: Analysis of the Au-Pd system by the effective site energy model

F. Berthier, J. Creuze, T. Gabard, B. Legrand, M.-C. Marinica, C. Mottet

Physical Review B: Condensed Matter and Materials Physics 99 (2019)10.1103/PhysRevB.99.014108

Reversed size-dependent stabilization of ordered nanophases

J. Pirart, A. Front, D. Rapetti, Caroline Andreazza-Vignolle, P. Andreazza, C. Mottet, R. Ferrando

Nature Communications 10 (2019)10.1038/s41467-019-09841-3

2017

Magic compositions in Pd-Au nanoalloys

Zhu Beien, Front Alexis, Hazar Guesmi, Jérôme Creuze, Bernard Legrand, Christine Mottet

Computational and Theoretical Chemistry 1107:49-56 (2017)10.1016/j.comptc.2016.12.023

2016

Pd surface and Pt subsurface segregation in Pt 1− c Pd c nanoalloys

Astrid de Clercq, S. Giorgio, C. Mottet

Journal of Physics: Condensed Matter 28:064006 (2016)10.1088/0953-8984/28/6/064006

CO Adsorption-Induced Surface Segregation and Formation of Pd Chains on AuPd(100) Alloy: Density Functional Theory Based Ising Model and Monte Carlo Simulations

Beien Zhu, Jérôme Creuze, Christine Mottet, Bernard Legrand, Hazar Guesmi

Journal of Physical Chemistry C 120:350-359 (2016)10.1021/acs.jpcc.5b10158

2015

Surface segregation in AuPd alloys: Ab initio analysis of the driving forces

Jérôme Creuze, Hazar Guesmi, Christine Mottet, Beien Zhu, Bernard Legrand

Surface Science 639:48-53 (2015)10.1016/j.susc.2015.04.017

Ordering and surface segregation in Co1−cPtc nanoparticles: A theoretical study from surface alloys to nanoalloys

A. Lopes, G. Tréglia, C. Mottet, B. Legrand

Physical Review B: Condensed Matter and Materials Physics 91:035407 (2015)

Crossover among structural motifs in Pd–Au nanoalloys

B. Zhu, H. Guesmi, J. Creuze, Bernard Legrand, C. Mottet

Physical Chemistry Chemical Physics 17:28129-28136 (2015)10.1039/C5CP00491H

2014

Aspect-ratio- and size-dependent emergence of the surface-plasmon resonance in gold nanorods - an ab initio TDDFT study

X. Lopez-Lozano, H. Barron, C. Mottet, H.-C. Weissker

Physical Chemistry Chemical Physics 16:1820-1823 (2014)

2013

Surface segregation trends in transition metal alloys

J.H. Los, C. Mottet, G. Tréglia

Physical Review B: Condensed Matter and Materials Physics 88:165408 (2013)

Effect of Alloying on the Optical Properties of Ag-Au Nanoparticles

X.L. Lozano, C. Mottet, H.C. Weissker

Journal of Physical Chemistry C 117:3062-3068 (2013)

Evidence of Pd segregation and stabilization at edges of AuPd nano-clusters in the presence of CO: A combined DFT and DRIFTS study

Beien Zhu, Gode Thrimurthulu, Laurent Delannoy, Catherine Louis, Christine Mottet, Jérôme Creuze, Bernard Legrand, Hazar Guesmi

Journal of Catalysis 308:272-281 (2013)10.1016/j.jcat.2013.08.022

2012

Structure and properties of nanoscale materials: theory and atomistic computer simulation

C. Bichara, P. Marsal, C. Mottet, R. Pellenq, F. Ribeiro, A. Saul, G. Tréglia, H.C. Weissker

International Journal of Nanotechnology 9:576-604 (2012)10.1504/IJNT.2012.045335

2011

Order-disorder transition in Co-Pt nanoparticles: Coexistence, transition states, and finite-size effects

F. Calvo, C. Mottet

Physical Review B: Condensed Matter and Materials Physics 84:035409 (2011)

Ordering trends in transition metal alloys from tight-binding electronic structure calculations

J.H. Los, C. Mottet, G. Tréglia, C. Goyhenex

Physical Review B: Condensed Matter and Materials Physics 84:180202 (R) (2011)

Optical properties of pure and core-shell noble-metal nanoclusters from TDDFT: The influence of the atomic structure

H.C. Weissker, C. Mottet

Physical Review B: Condensed Matter and Materials Physics 84:165443 (2011)

2010

Probing nanoscale structural and order/disorder phase transitions of supported Co-Pt clusters under annealing

Pascal Andreazza, Christine Mottet, Caroline Andreazza-Vignolle, Jose Penuelas, Hélio Tolentino, Maurizio de Santis, Roberto Felici, Nathalie Bouet

Physical Review B: Condensed Matter and Materials Physics 82:155453 (2010)10.1103/PhysRevB.82.155453

Evaluating resistance to Bt Toxin Cry1Ab by F-2 Screen in European populations of Ostrinia nubilalis (Lepidoptera: Crambidae)

H. Engels, Denis Bourguet, L. Cagan, B. Manachini, I. Schuphan, T.J. Stodola, A. Micoud, C. Brazier, C. Mottet, D.A. Andow

Journal of Economic Entomology 103:1803-1809 (2010)10.1603/EC10055

Simulation of the growth of metal nanoclusters on the MgO(100) surface

Jacek Goniakowski, C. Mottet

Physical Review B: Condensed Matter and Materials Physics 81:155443 (2010)10.1103/PhysRevB.81.155443

2009

Size and shape effects on the order -> disorder phase transition in CoPt nanoparticles

D. Alloyeau, C. Ricolleau, C. Mottet, T. Oikawa, Cyril Langlois, Y. Le Bouar, N. Braidy, A. Loiseau

Nature Materials 8:940-946 (2009)

Structures of metal nanoparticles adsorbed on MgO(001). I. Ag and Au

R. Ferrando, G. Rossi, A.C. Levi, Z. Kuntova, F. Nita, A. Jelea, C. Mottet, G. Barcaro, A. Fortunelli, Jacek Goniakowski

Journal of Chemical Physics 130:174702 (2009)

Structures of metal nanoparticles adsorbed on MgO(001). II. Pt and Pd

Jacek Goniakowski, A. Jelea, Christine Mottet, G. Barcaro, A. Fortunelli, Z. Kuntova, F. Nita, A.C. Levi, G. Rossi, R. Ferrando

Journal of Chemical Physics 130:174703 (2009)10.1063/1.3121307

Structures of metal nanoparticles adsorbed on MgO(001). II. Ptand Pd

Jacek Goniakowski, A. Jelea, C. Mottet, G. Barcaro, A. Fortunelli, Z. Kuntova, F. Nita, A.C. Levi, G. Rossi, R. Ferrando

Journal of Chemical Physics 130:174703 (2009)

Canonical molecular dynamics simulations for crystallization of metallic nanodroplets on MgO(100)

A. Jelea, C. Mottet, Jacek Goniakowski, G. Rossi, R. Ferrando

Physical Review B: Condensed Matter and Materials Physics 79:165438 (2009)10.1103/PhysRevB.79.165438

Real-time icosahedral to fcc structure transition during CoPt nanoparticle formation.

J. Penuelas, P. Andreazza, C. Andreazza-Vignolle, C. Mottet, M. de Santis, H.C.N. Tolentino

The European Physical Journal. Special Topics 167:19-25 (2009)

Real-time icosahedral to fcc structure transition during CoPt nanoparticle formation

José Penuelas, Pascal Andreazza, Caroline Andreazza-Vignolle, Christine Mottet, Maurizio de Santis, Hélio Tolentino

European Journal of Physics 167:19-25 (2009)10.1140/epjst/e2009-00931-x

Theoretical studies of Palladium-Gold nanoclusters : Pd-Au clusters with up to 50 atoms

F. Pittaway, L.O. Paz-Borbon, R.L. Johnston, H. Arslan, R. Ferrando, C. Mottet, G. Barcaro, A. Fortunelli

Journal of Chemical Physics C113:9141-9152 (2009)