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de Bruijckere, J. (author)
In this thesis we study charge transport through individual molecules and mainly focus on the properties of molecular spin. We fabricate nanoscale structures for transport measurements and employ the electromigration break-junction technique to realize three-terminal—transistor-like—single-molecule devices. We investigate the spin-related...
doctoral thesis 2020
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Verzijl, C.J.O. (author)
In this dissertation we discuss ab initio studies of quantum transport through single-molecule devices, using a combination of techniques from quantum chemistry and many-body physics. The molecular transport calculations discussed here are based on the "DFT+NEGF" approach to molecular transport. We first outline the density functional theory ...
doctoral thesis 2012