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Materials 4.0: Deep Mechanics

August 19-23, 2019
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TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology

» presentations   » 2014.04.03

Electronic structure of photosensitive molecular switches: A first-principle investigation

Lokamani, Daijiro Nozaki, Arezoo Dianat, Tahereh Ghane, Rafael Gutierrez, Gianaurelio Cuniberti

DPG Frühjahrstagung der Sektion Kondensierte Materie (SKM)

2014.04.03; Dresden, Germany

The investigation of networks of nano-particles interconnected with functional molecular components is an active research field. Some potential applications include the realization of elementary computing units, able to act as memory nano-devices. However, to achieve this goal a detailed understanding of the electronic, structural, and electrical transport properties of potentially relevant molecular building blocks is mandatory. Here, we study such properties at the level of single molecules, for merocyanine derivatives, a photosensitive organic complex. In particular, we analyse the interplay between molecular conformation and corresponding modifications in the electrical response. First steps towards the inclusion of structural fluctuations via molecular dynamics simulations and its impact on the charge transport are also discussed.

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Prof. Dr. Gianaurelio Cuniberti
Ms Sylvi Katzarow
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