Diana Nelli

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Diana Nelli



Research activity

The aim of my research activity is the study of metallic  nanoparticles and nanoalloys (i.e. bi- or multi-metallic nanoparticles) by computational methods, with special attention to the out-of-equilibrium phenomena involving such systems. Nanoparticles growth process from a starting metallic vapour and their evolution from out-of-equilibrium configurations towards the most stable ones are two interesting examples of such phenomena, which are widely studied from both the theoretical and experimental point of view. The numerical method I use is Molecular Dynamics, a well-known and simple technique which is able to reproduce the evolution of a given system in a realistic way. Thanks to the collaborations between my research group and some experimental groups (in France, UK, Japan) I have often the opportunity to compare the simulations results with experimental data, and thus to achieve a better knowledge of the systems and phenomena I study.

Research at DIFI

Main publications

Core-shell vs. Multi-shell formation in nanoalloys evolution from disordered configurations

D. Nelli and R. Ferrando, Nanoscale 11, 13040 (2019) doi: 10.1039/c9nr02963j

Structure and orientation effects in the coalescence of Au clusters

D. Nelli, G. Rossi, Z. Wang, R. E. Palmer and R. Ferrando, Nanoscale 12, 7688 (2020) doi: 10.1039/c9nr10163b

One-step growth of core-shell (PtPd)@Pt and (PtPd)@Pd nanoparticles in the gas phase

D. Nelli, A. Krishnadas, R. Ferrando, C. Minnai, J. Phys. Chem. C (2020) submitted