CORDIS Project
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This project focuses on developing multiscale methods to model self-assembled monolayers (SAMs) with endohedral metallofullerenes, which are potential single molecular magnets. By addressing the complexities of their electronic structures and dynamics, the project aims to enhance the design and functionality of SAMs in…
Modeling of formation and properties self-assembled monolayer (SAM) is a very challenging task, especially if highly functional-ligands are concerned.
It is true, for instance, in the case of endohedral metallofullerene (EMF) based SAM - a promising single molecular magnet (SMM) grids in-making.
Properties of such SMM grids would be a function of SAM architecture (attachment types and crowding effects) and inner-cluster dynamics under these geometrical constrains.
Electronic structure complexity…
LEIBNIZ INSTITUT FUR FESTKORPER UND WERKSTOFFORSCHUNG DRESDEN EV
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