Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 54: Focus Session: Molecular Nanostructures on surfaces - New Concepts towards Complex Architectures III

O 54.1: Hauptvortrag

Mittwoch, 14. März 2018, 10:30–11:00, MA 004

Molecularly functionalized surfaces and interfaces — •Adam Foster — Department of Applied Physics, Aalto University, Finland — NanoLSI, Kanazawa University, Kanazawa 920-1192, Japan — Graduate School Materials Science in Mainz, Staudinger Weg 9, 55128, Germany

Many ideas in next generation technology are predicated on atomic and molecular control of surfaces and interfaces. A natural route to providing this level of control is to design the interface directly using molecular building blocks via self-assembly. Using a combination of modelling approaches in partnership with Scanning Probe Microscopy experiments, in this work we consider several examples where the interface has been designed by the controlled assembly of molecular layers. We first introduce the computational tools at the heart of our methodology, and discuss the challenges when simulating complex assembly processes and comparing to experiment. We then compare the adsorption and reaction mechanisms on a benchmark insulator system [1], and also contrast to processes on conducting surfaces [2]. Finally, we build upon this to consider new insights offered by modern machine learning simulation approaches.

[1] J. Phys. Chem. C 120 (2016) 14730, Phys. Chem. Chem. Phys., 19 (2017) 15172

[2] J. Phys. Chem. C 120 (2016) 8772, Nat. Commun. 7 (2016) 11559, Nat. Commun. 7 (2016) 12711, ACS Nano 11 8122 (2017)