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Molecular Complexes on 2D Materials: role of the interface

Talat S. Rahman

Department of Physics, University of Central Florida, Orlando, FL 32816

Email: talat@ucf.edu

Transition-metal-atom coordinated molecules and their molecular complexes appear to be attractive candidates as building blocks for a variety of quantum technologies. Single-molecule magnets (SMMs) and spin crossover molecules, for example, have been touted for applications as qubits and nonvolatile memory applications, respectively. They posses characteristic spin states and their magnetic and electronic properties may be tuned.  One challenge for SMMs is finding a suitable substrate that keeps their properties intact, helps stabilize their assembly, and allows access to probes. In this talk, after presenting results of our spin-polarized density functional theory based calculations of the geometric and electronic structure and magnetic properties of a set SMM (the Mn₃ dimers) and spin cross over molecules I will discuss the modifications to these properties when the molecular structures are adsorbed on several two-dimensional materials (graphene and monolayer hexagonal boron nitride (h-BN) and molybdenum disulfide). I will compare our findings with experimental data where available and comment on their possible applications,

Der Vortrag findet am Dienstag, den 25. Juni 2024 um 14.00 Uhr im Raum 1157A statt.