Zapraszamy na seminarium naukowe Instytutu Inżynierii Materiałowej, które odbędzie się
w czwartek, 15 grudnia 2022 o godz. 1300 na platformie TEAMS (zespół Instytut Inżynierii Materiałowej)
(Zainteresowane osoby spoza Instytutu są proszone o zgłaszanie udziału w seminarium do Pani dr Klaudii Duch na adres: klaudia.duch@us.edu.pl)
Wykład nt.
“Adsorption of atoms (alkali metals) and molecules (atmospheric gases) on graphene-like monolayers: insights from theory”
wygłosi
Profesor Andrei Postnikov
z Université de Lorraine – Metz, France
Streszczenie
The results of two recent works will be presented, which deal with the placement and the movement of atoms and molecules on/over monolayers. The first subject, concerning unusual properties of alkali metals sticking on BC3, raises the issues of magnetism, mobility, potential barriers and interaction between adsorbed atoms. The second subject aims at selective detection of iodine-containing molecules in the air, in the context of managing nuclear power plant accidents. It illustrates the search for a substrate which is sensitive to relevant molecules but not to the others. The assessment of calculation results, obtained with different DFT methods, the importance of various details of calculation and the validity of different routinely used approximations will be discussed.
