Materials and Processes Simulation Laboratory

Profile

Dr hab. Silvio Osella
e-mail: s.osella@cent.uw.edu.pl
phone: +48 22 55 43672
room: 04.57
ORCID: 0000-0001-8541-1914
SCOPUS ID: 57190521694

The main area of research of the Materials and Processes Simulation sLaboratory focuses on the use of computational chemistry to study the opto-electronic, transfer and transport properties of low-dimensional materials by means of a multiscale computational approach, in which different computational methods are combined together to properly assess the complexity of the studied systems. In particular, we are interested in (1) multiscale modelling of novel 2D functional materials for organic electronic applications (such as photovoltaics, OLED and OFET) with a focus on charge and energy transfer and transport at interfaces of different dimensionalities (i.e. 0D/2D, 2D/2D, 1D/2D, 0D/1D). 2) heterogeneous catalysis with focus on electrochemical, photochemical and photo(electro)chemical reactions for the reduction of harmful gases to high value chemicals. (3) (non)-linear and fluorescent optical properties of fluorescent molecules in biological environments like lipid bilayer membranes and proteins. (4) Method development oriented towards application of well known principles to low dimensional materials.

Leader

Silvio Osella is an Associate Professor at the Center of New Technologies, University of Warsaw (CeNT UW), since June 2022, while he has been previously Assistant Professor since January 2017, when he started to work at CeNT UW. Previously, Dr. Osella was a postdoctoral fellow at Theoretical Chemistry & Biology Laboratory, KTH (Sweden), founded by Center for Quantum Materials and Nordita in 2016 and at the Laboratory of Chemistry of Novel Materials, University of Mons (Begium) in 2015. Ge holds a Master Degree in Chemistry from the University of Torino (Italy) and a PhD in Chemistry from University of Mons (Begium). He has been a recipient of several grants, like POLONES, SONATA, OPUS and SONATA BIS from NCN and the BEKKER grant from NAWA. He supervised several master students and two postdocs. He was awarded the Rector’s award for “Extraordinary scientific achievements, considered as the breaking through in the discipline and contributing significantly to the prestige of the society, thus increasing the reputation of our University (University of Warsaw)” for two consecutively years (2020-2021) and the Ministry of Science and Higher Education competition for the Minister’s Scholarship “For young, outstanding scientists under 35 conducting high-quality research with impressive international academic records”, Poland, granted for the 2019-2021 period.

Team

Leader
Dr hab. Silvio Osella

Postdocs
Mateusz Wlazło, PhD

PhD Students
Mahrokh Mamizadeh, MSc
Huiying Huang, MSc
Abdessamia Rhazaoui, MSc

Students
Klaudia Korytkowska
Łukasz Cieszyński

Selected projects

Selected publications

• Langer, M., Zdrazil, I., Rogach, A.L., Osella, S., Otyepka, M.
  Photoexcited Species Localize on Solvent-Accessible-Fluorophore Rich Domains inside Carbon Dots
  ((2026) Carbon, 249, art. no. 121228
  DOI: 10.1016/j.carbon.2026.121228
• Sun, L., Yan, W., Wang, W., Wang, L., Osella, S., Liang, G., Goddard III, W.A., Zbořil, R., Zhou, Y., Yang, J.
  Improving Mass Transport and Charge Transfer in COF-Based Photocatalysts With Three-Dimensional Ordered Macropores for Benzylamine Oxidation and Hydrogen Evolution
  (2025) Angewandte Chemie – International Edition, 64 (34), art. no. e202511080
  DOI: 10.1002/anie.202511080
• Hu, J., Osella, S., Albero, J., García, H.V.
  Ni and Mo atom pairs as single sites on N-doped graphitic carbon for urea formation by simultaneous CO2 and NO3− reduction with pulsed electrocatalysis
  (2025) EES Catalysis, 3 (5), pp. 1075 – 1086
  DOI: 10.1039/d5ey00056d
• Wlazło M., Langer M., Semchuk O.Y., Osella S.
  Unraveling the competition between charge and energy transfer in 0D/2D nanographene-graphene heterojunctions
  (2025) Theoretical Chemistry Accounts, 144 (1), art. no. 14
  DOI: 10.1007/s00214-024-03166-1
• Wang M., Langer M., Altieri R., Crisci M., Osella S., Gatti T.
  Two-Dimensional Layered Heterojunctions for Photoelectrocatalysis
  (2024) ACS Nano, 18 (13), pp. 9245 – 9284
  DOI: 10.1021/acsnano.3c12274
• Osella S., Knippenberg S.
  Photophysics in Biomembranes: Computational Insight into the Interaction between Lipid Bilayers and Chromophores
  (2024) Accounts of Chemical Research, 57 (16), pp. 2245 – 2254
  DOI: 10.1021/acs.accounts.4c00153
• Kaźmierczak, M., Giannini, S., Osella, S.
  Photoinduced energy and electron transfer at graphene quantum dot/azobenzene interfaces
  (2023) Journal of Materials Chemistry C, 12 (1), pp. 143 – 153
  DOI: 10.1039/d3tc03667g
• Osella, S., Goddard  III, W.A.
  CO2 Reduction to Methane and Ethylene on a Single-Atom Catalyst: A Grand Canonical Quantum Mechanics Study
  (2023) Journal of the American Chemical Society, 145 (39), pp. 21319 – 21329
  DOI: 10.1021/jacs.3c05650
• Medina-Lopez, D., Liu, T., Osella, S., Levy-Falk, H., Rolland, N., Elias, C., Huber, G., Ticku, P., Rondin, L., Jousselme, B., Beljonne, D., Lauret, J.-S., Campidelli, S.
  Interplay of structure and photophysics of individualized rod-shaped graphene quantum dots with up to 132 sp² carbon atoms
  (2023) Nature Communications, 14 (1), art. no. 4728
  DOI: 10.1038/s41467-023-40376-w

Contact

Dr hab. Silvio Osella
e-mail: s.osella@cent.uw.edu.pl
phone: +48 22 55 43672
room: 04.57