Automated Structure Discovery for Scanning Tunneling Microscopy

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

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en

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9

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ACS Nano, Volume 18, issue 17, pp. 11130-11138

Abstract

Scanning tunneling microscopy (STM) with a functionalized tip apex reveals the geometric and electronic structures of a sample within the same experiment. However, the complex nature of the signal makes images difficult to interpret and has so far limited most research to planar samples with a known chemical composition. Here, we present automated structure discovery for STM (ASD-STM), a machine learning tool for predicting the atomic structure directly from an STM image, by building upon successful methods for structure discovery in noncontact atomic force microscopy (nc-AFM). We apply the method on various organic molecules and achieve good accuracy on structure predictions and chemical identification on a qualitative level while highlighting future development requirements for ASD-STM. This method is directly applicable to experimental STM images of organic molecules, making structure discovery available for a wider scanning probe microscopy audience outside of nc-AFM. This work also allows more advanced machine learning methods to be developed for STM structure discovery.

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Kurki, L, Oinonen, N & Foster, A 2024, 'Automated Structure Discovery for Scanning Tunneling Microscopy', ACS Nano, vol. 18, no. 17, pp. 11130-11138. https://doi.org/10.1021/acsnano.3c12654