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Reliably modeling the electronic structure of self-assembled monolayers | ||
The goal of this project is to reliably predict the electronic properties of Self-Assembled Monolayers (SAMs) by means of quantum-mechanical methods. On the one hand, we try to account for shortcomings of the used computational approach (density-functional theory) and to account for the impact of disorder; on the other hand, we intend to understand, how to reliably predict physical observables and how to understand the impact of collective electrostatic effects on the electronic properties of self-assembled monolayers. | ||
Institute of Solid State Physics
