Dr. Michele Reticcioli works as University Assistant in the Quantum Materials Modeling group led by Cesare Franchini (University of Vienna, Austria), where he defended his Ph.D. in 2019.
Currently, he is involved in the COSY COST Action as Science Communication co-Coordinator.

The chemical and physical properties of oxide surfaces are at the core of his research activity.
In particular, he investigates the effects and processes driven by the electronic charge on the material surfaces, by using computational techniques in the framework of density functional theory (DFT).
In the last years, often in tight collaborations with experimental partners, these studies have shed light on the formation of strongly-localized electronic states on oxide surfaces and their interaction with (molecular) adsorbates.
These quasiparticles, called small polarons, play a key role in a wide range of applications, including catalysis.
Moreover, he is also involved in the development of machine learning (ML) algorithms for the study of charge and lattice defects on surfaces, as well as for the analysis of experimental measurements (scanning probe microscopy and low-energy electron diffraction, specifically).
These new methodologies will facilitate the study of the interaction between polarons and the sub-nanometer clusters at the core of the COSY COST action.

— Relevant Publications:

Wang, Reticcioli, Jakub, Sokolović, Meier, Boatner, Schmid, Parkinson, Diebold, Franchini, Setvin, Sc. Adv. 8(33), 2 (2022)

Franchini, Reticcioli, Setvin, Diebold, Nat. Rev. Mat. 6(7), 560 (2021)

Reticcioli, Sokolovic, Schmid, Diebold, Setvin, Franchini, PRL 122(1), 016805 (2019)

— Relevant Compounds and Methodologies:

Oxide Surfaces (TiO2, KTaO3, SrTiO3, NaOsO3, Fe2TiO3).
Molecular adsorbates (CO, NO, O2, H2, F2, Cl2, HCl) and single atom catalysts (transition metals).
Density Functional Theory, and Machine Learning (Force Field Molecular Dynamics).

— Personal website:


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