Unsupervised vector-based classification of single-molecule charge transport data
File(s)ncomms12922.pdf (1.88 MB)
Published version
OA Location
Author(s)
Lemmer, M
Inkpen, MS
Kornysheva, K
Long, NJ
Albrecht, T
Type
Journal Article
Abstract
The stochastic nature of single-molecule charge transport measurements requires collection of large data sets to capture the full complexity of a molecular system. Data analysis is then guided by certain expectations, for example, a plateau feature in the tunnelling current distance trace, and the molecular conductance extracted from suitable histogram analysis. However, differences in molecular conformation or electrode contact geometry, the number of molecules in the junction or dynamic effects may lead to very different molecular signatures. Since their manifestation is a priori unknown, an unsupervised classification algorithm, making no prior assumptions regarding the data is clearly desirable. Here we present such an approach based on multivariate pattern analysis and apply it to simulated and experimental single-molecule charge transport data. We demonstrate how different event shapes are clearly separated using this algorithm and how statistics about different event classes can be extracted, when conventional methods of analysis fail.
Date Issued
2016-10-03
Date Acceptance
2016-08-16
Citation
Nature Communications, 2016, 7, pp.1-10
ISSN
2041-1723
Publisher
Nature Publishing Group
Start Page
1
End Page
10
Journal / Book Title
Nature Communications
Volume
7
Copyright Statement
This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
License URL
Sponsor
The Leverhulme Trust
Identifier
https://www.nature.com/articles/ncomms12922
Grant Number
RPG-2012-754
Subjects
Science & Technology
Multidisciplinary Sciences
Science & Technology - Other Topics
TRANSITION-METAL-COMPLEXES
CONDUCTANCE HISTOGRAMS
JUNCTION CONDUCTANCE
BREAK-JUNCTION
ELECTRON-TRANSPORT
WIRES
LEVEL
GOLD
GEOMETRIES
MECHANISM
Publication Status
Published
Article Number
12922
Date Publish Online
2016-10-03