MONTENEGRO POHLHAMMER , Nicolás

A key requirement for the implementation of molecular quantum dot cellular automata (mQCA) is the ordered attachment of molecules on surfaces. In this work we explore by means of stateof- the art quantum chemistry calculations different aspects of the deposition of a mixed-valence Ru2+ complex on Au(111), underlined as a promising component in...

Spin-crossover complexes embedded in nanodevices experience effects that are absent in the bulk that can modulate, quench and even suppress the spin-transition. In this work we explore, by means of state-of-the-art quantum chemistry calculations, different aspects of the integration of SCO molecules on active nanodevices, such as the geometry...

Spin crossover (SCO) molecules are promising nanoscale magnetic switches due to their ability to modify their spin state under several stimuli. However, SCO systems face several bottlenecks when downscaling into nanoscale spintronic devices: their instability at the nanoscale, their insulating character and the lack of control when positioning...