Automated tip functionalization via machine learning in scanning probe microscopy

Abstract

Auto-CO-AFM is an open-source software package for scanning probe microscopes that enables the automatic functionalization of scanning probe tips with carbon monoxide molecules. This enables machine operators to specify the quality of the tip needed utilizing a pre-trained library with off-the-shelf software. From a single image, the software package can determine which molecules on a surface are carbon monoxide, perform the necessary tip functionalization procedures, interface with microscope software to control the tip position, and determines the centeredness of the tip after a successful functionalization. This is of particular interest for atomic force microscopy imaging of molecules on surfaces, where the tip functionalization is a necessary and time consuming step needed for sub-molecular resolution imaging. This package is freely available under the MIT License. Program Title: Auto-CO-AFM CPC Library link to program files: https://doi.org/10.17632/khfvjhx4vb.1 Developer's repository link: https://github.com/SINGROUP/Auto-CO-AFM Licensing provisions: MIT Programming language: Python Supplementary material: Supplementary Information as PDF Nature of problem: Scanning probe microscopy experiments are limited by the lack of automated tools in tip preparation, particularly when functionalizing an adatom or molecule on the end of a tip. These tip functionalizations are commonly manually-driven processes that are time-consuming for the operator. Solution method: We have developed an automated solution for tip functionalization for carbon monoxide molecules, which combines machine learning descriptors with automated software control of the tip preparation process. The Python program interfaces with a major vendor's software to scan, functionalize, and verify the tip quality for the operator. The source code, documentation, and basic program are posted online. Additional comments including restrictions and unusual features: Current version of software in publication requires STMAFM software from CreaTec GmbH in physical connection with a CreaTec DSP.