Berlin 2024 – scientific programme
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O: Fachverband Oberflächenphysik
O 65: Poster: Molecular Nanostructures on Surfaces
O 65.11: Poster
Wednesday, March 20, 2024, 18:00–20:00, Poster C
Monitoring of molecular configurations during manipulation with a scanning probe microscope — •Joshua Scheidt1,2, Jonas Lederer2, Hadi H. Arefi1, Mario Infantino1, Alexander Diener1, F. Stefan Tautz1, Klaus-Robert Müller2, and Christian Wagner1 — 1Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, Jülich, Germany — 2Fakultät IV - Elektrotechnik und Informatik, Technische Universität Berlin, Berlin, Germany
A bold vision in nanofabrication is the assembly of functional molecular structures using a scanning probe microscope (SPM). This approach requires continuous monitoring of the molecular configuration during manipulation. Until now, this has been impossible because the SPM tip cannot simultaneously act as an actuator and an imaging probe. We implement configuration monitoring using a machine learning model trained on DFT calculated data. We model the manipulation as a pre-computed Partially Observable Markov Decision Process (POMDP) in the form of a finite-state automaton, and use a particle filter to approximate the actual configuration in real time in the lab. This is enabled by a virtual reality interface in which we directly control the manipulation process and receive immediate feedback. Our proof-of-principle investigations are based on SPM manipulations of a PTCDA (3,4,9,10-perylene-tetracarboxylic dianhydride) molecule on the Au(111) surface.
Keywords: Monitoring; Real time; Finite-State Automata; Particle Filter; DFT