We will show calculations to design arrays of self-assembled electronic molecular devices as sensors for traces of Pu and U using precise ab initio computational calculations.  The idea is to use the plasmonic features of graphene molecules in order to transfer the electrical, magnetic, vibrational, and optical characteristics into the graphene plasmons, which produce an enhancement (amplification) of observable quantities.  Theoretical simulations have shown the possibility to use sensors to identify single molecules with modes in the terahertz region.  On the other hand, molecular potentials have become the type of signal suitable at the nanoscale for detection of atoms and small molecules.  Plots of the molecular potentials around complexes of U and Pu would allow us to distinguish the main differences similar to those observed in biological systems where receptors are able to distinguish its transmitters or when a donor of electrons is able to match with an acceptor.

Design of sensors of uranium and plutonium using ab initio methods

245th National Meeting (2013)

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