期刊
NANO LETTERS
卷 20, 期 5, 页码 3320-3325出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.0c00198
关键词
molecular junctions; deep learning; convolutional neural networks; electric field catalysis
类别
资金
- National Science Foundation [CHE-1764256, DMR1807580]
- Shanghai University of Electric Power
- Science and Technology Commission of Shanghai Municipality [14DZ2261000]
The scanning tunneling microscope-based break junction (STM-BJ) is used widely to create and characterize single metal-molecule-metal junctions. In this technique, conductance is continuously recorded as a metal point contact is broken in a solution of molecules. Conductance plateaus are seen when stable molecular junctions are formed. Typically, thousands of junctions are created and measured, yielding thousands of distinct conductance versus extension traces. However, such traces are rarely analyzed individually to recognize the types of junctions formed. Here, we present a deep learning-based method to identify molecular junctions and show that it performs better than several commonly used and recently reported techniques. We demonstrate molecular junction identification from mixed solution measurements with accuracies as high as 97%. We also apply this model to an in situ electric field-driven isomerization reaction of a [3]cumulene to follow the reaction over time. Furthermore, we demonstrate that our model can remain accurate even when a key parameter, the average junction conductance, is eliminated from the analysis, showing that our model goes beyond conventional analysis in existing methods.
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