December 8^th at 12:00
on-site event
Argentum auditorium, Aurum
Autumn 2022 poster

Frontiers of Science meets Aurum!
Prof. Gianfranco Pacchioni, Università degli Studi di Milano-Bicocca, Italy
Computer driven material discovery
Host: Dmitry Murzin (dmitry.murzin@abo.fi)

Coffee and sandwich served at 11:45

Six students and early-career postdocs are welcome to have a lunch and discuss with Prof. Pacchioni after the seminar. This is a great possibility to learn hosting skills in friendly environment and create connections for future. Every student are welcome to join, in spite of which research group they belong to. BioCity Turku will offer the lunch.

There will also be a possibility to visit Aurum facilities before or after the seminar.

If you got interested, please send an email to biocityturku@bioscience.fi

The Quantum Chemistry Research group at the Department of Material Science of the University of Milano Bicocca has a consolidated experience in the study of the electronic structure and properties of oxide materials and nanostructures, and in particular oxide surfaces, defects and dopants in oxides, supported metal clusters and their reactivity, two-dimensional materials like ultrathin oxide thin films or oxide heterojunctions. To study these materials the group makes use of modern quantum chemistry approaches (cluster models) and periodic density functional theory methods (periodic supercell approach). Particular attention is given to the interaction with experimental groups and to the interpretation of spectroscopies (IR, IV-Vis, EPR, X-Ray absorption and photoemission, etc.) and microscopies (STM).

Selected publications

JJ Navarro, M Das, S Tosoni, F Landwehr, M Koy, M Heyde, G Pacchioni, …. 2022. Growth of N‐Heterocyclic Carbene Assemblies on Cu (100) and Cu (111): From Single Molecules to Magic‐Number Islands. Angewandte Chemie International Edition 61 (30), e202202127

G Vilé, G Di Liberto, S Tosoni, A Sivo, V Ruta, M Nachtegaal, AH Clark, …, PAcchioni G. 2022. Azide-alkyne click chemistry over a heterogeneous copper-based single-atom catalyst. ACS Catalysis 12 (5), 2947-2958L

G Di Liberto, LA Cipriano, G Pacchioni. 2021. Role of Dihydride and Dihydrogen Complexes in Hydrogen Evolution Reaction on Single-Atom Catalysts. Journal of the American Chemical Society 143 (48), 20431-20441

DeRita, J Resasco, S Dai, A Boubnov, HV Thang, AS Hoffman, Ro I, Graham GW, Bare SR, Pacchioni G, Pan X, Christopher P. 2019. Structural evolution of atomically dispersed Pt catalysts dictates reactivity. Nature materials 18 (7), 746-751

General information

• You can download all autumn 2022 FoS-seminars in your calendar from here: https://seafile.utu.fi/d/db29925e6f0e4becb755/
• Registration is not needed for on-site seminars
• Participation list is circulated in the audience
• If you are a student and later wish to get a certificate of attendance from the Frontier of Science seminars, please print out this seminar diary and after the seminar ask the BioCity coordinator to sign it
• Please note that any audio or video recording of the seminars is strictly forbidden.