04 février 2020

Séminaire Riccardo Ferrando « Structural transformations of metallic NP and nanoalloys… »

Riccardo Ferrando animera un séminaire à Université Paris-Saclay salle Olivier Khan intitulé «Structural transformations of metallic nanoparticles and nanoalloys. How simulations can shed light on experiments ? »
Séminaire :
«Structural transformations of metallic nanoparticles and nanoalloys. How simulations can shed light on experiments ? » 
le mardi 4 février à 11h en salle Olivier Kahn à l’ICMMO (Bât. 410, Université Paris-Saclay)
Riccardo Ferrando
Dipartimento di Fisica, Università di Genova, Via Dodecaneso 33, Genova, Italy

The experimentally observed nanoparticle structures are often the result of a competition between kinetic effects and equilibration. Here we consider different types of out-of-equilibrium processes, ranging from temperature-dependent solid-solid transformations [1-3], to growth processes in the gas phase [4-7], to coalescence of preformed clusters [8]. The systems considered here are pure Au nanoparticles [1,4,8], and several nanoalloys (AgPt [2], AuCo, AgCu, AgNi [3], AgAu [5], PtPd [6], AuFe [7]). Kinetic effects are studied by classical molecular dynamics, whereas equilibrium properties are determined by global optimization searches, harmonic thermodynamics calculations and DFT calculations [9,10]. We show how simulation results can help in interpreting complex processes in different experiments [1,2,4-7].

[1] D.M. Foster, R. Ferrando, R.E. Palmer , Nature Communications 9, 1323 (2018)
[2] J. Pirart, A. Front, D. Rapetti, P. Andreazza, C. Andreazza, C. Mottet, R. Ferrando, Nature Communications, 10, 1982 (2019).
[3] D. Nelli, R. Ferrando, Nanoscale 11, 13040 (2019)
[4] D.M. Wells, G. Rossi. R. Ferrando, R.E. Palmer, Nanoscale, 7, 6498 (2015)
[5] T.-W. Liao, A. Yadav, K.-J. Hu, J. van der Tol, S. Cosentino, F. D’Acapito, R.E. Palmer, C. Lenardi, R. Ferrando, D. Grandjean, P. Lievens, Nanoscale 10, 6684 (2018)
[6] D. Nelli, R. Ferrando, C. Minnai, in preparation (2020)
[7] J. Vernieres, S. Steinhauer, J. Zhao, P. Grammatikopoulos, R. Ferrando, K. Nordlund, F. Djurabekova, M. Sowwan, Advanced Science 1900447 (2019)
[8] D. Nelli, Z. Wang, R.E. Palmer, R. Ferrando, submitted (2020)
[9] J.-P. Palomares-Baez, E. Panizon, R. Ferrando, Nano Letters,  17, 5394 (2017)
[10] D. Rapetti, R. Ferrando, J. Alloys Compd. 779, 582 (2019).