DYNAFUN DYNamics of FUNctional materials

Session

Session 3 : Simulation session

13 Sept 2022, 13:30

15. Dynamics in Confinement: a study of CH4@C60

Mohamed Aouane

13/09/2022, 14:00

Oral

Endofullerenes are substances in which small molecules or atoms are encapsulated in highly sym-metrical cages of carbon atoms. Each encapsulated atom or molecule behaves as a textbook example of a quantized particle-in-a-box. The newest and largest member of the endofullerene fami-ly tree, namely CH$_4$@C$_{60}$, is the first organic molecule trapped inside the cage and the main interest of...