ArticleThe journal of physical chemistry letters2023
Configuration-Specific Insight into Single-Molecule Conductance and Noise Data Revealed by the Principal Component Projection Method.
Article in The journal of physical chemistry letters, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Machine Learning-Enhanced Molecular Dynamics of 4,4'-Bipyridine in a Break Junction: A Supramolecular Origin of the High Conductance.ACS nanoscience Au · 2026Article
- Precise Probing of Interfaces at the Single-Molecule Scale.Nanomaterials (Basel, Switzerland) · 2026Review
- Single-Molecule Conductance of Non-Redox Proteins: Mechanisms, Measurements, and Applications.Biomolecules · 2026Review
- Quantum Interference Effect in Saturated Systems: Effect of Anchoring Group Position on Conductance of Bipiperidines and their in-situ Derived Dithiocarbamates.Angewandte Chemie (International ed. in English) · 2025Article
- Making the Most of Nothing: One-Class Classification for Single-Molecule Transport Studies.ACS nanoscience Au · 2024Article
- Tuning charge transport by manipulating concentration dependent single-molecule absorption configurations.iScience · 2024Article
- Total variation denoising-based method of identifying the states of single molecules in break junction data.Discover nano · 2024Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We explore the merits of neural network boosted, principal-component-projection-based, unsupervised data classification in single-molecule break junction measurements, demonstrating that this method identifies highly relevant trace classes according to the well-defined and well-visualized internal correlations of the data set. To this end, we investigate single-molecule structures exhibiting double molecular configurations, exploring the role of the leading principal components in the identification of alternative junction evolution trajectories. We show how the proper principal component projections can be applied to separately analyze the high- or low-conductance molecular configurations, which we exploit in 1/f-type noise measurements on bipyridine molecules. This approach untangles the unclear noise evolution of the entire data set, identifying the coupling of the aromatic ring to the electrodes through the π orbitals in two distinct conductance regions, and its subsequent uncoupling as these configurations are stretched.
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Registered trials
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