Regensburg 2022 – scientific programme
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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur
KFM 9: New Methods and Developments: Scanning Probe Techniques 2 (joint session O/KFM)
KFM 9.4: Talk
Monday, September 5, 2022, 15:45–16:00, S053
Monitoring of molecular configurations during manipulation with a scanning probe microscope — •Joshua Scheidt1,2, Alexander Diener1,2, Michael Maiworm3, Rolf Findeisen3, Kurt Driessens2, F. Stefan Tautz1, and Christian Wagner1 — 1Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, Jülich, Germany — 2Maastricht University, Data Science and Knowledge Engineering, Maastricht, Netherlands — 3Control and Cyber-Physical Systems Laboratory, Technische Universität Darmstadt, Darmstadt, Germany
A bold vision of nanofabrication is the assembly of functional molecular structures with a scanning probe microscope (SPM). Such an approach allows the quick variation of conformation and composition of (supra)molecular systems and an assessment of these parameters on the envisioned functionality. However, monitoring the molecular conformations during manipulations remain elusive due to the dual role of the SPM tip as an actuator and an imaging probe. We present an approach which enables monitoring based on continuously gathered force gradient data using a particle filter approach, which solves the inverse problem of conformation monitoring by comparing current force gradient data to a structured set of simulations stored in the form of a finite state automaton. This allows using molecular simulations with wall-times for completion much longer than the time scale of the experiments. Our proof-of-principle investigations are based on the vertical SPM manipulation of a PTCDA (3,4,9,10-perylene-tetracarboxylic dianhydride) molecule on the Au(111) surface.