XMe-Xiamen Molecular Electronics Code:An Intelligent and Open-Source Data Analysis Tool for Single-Molecule Conductance Measurements

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外文摘要：Charge transport characterization of single-molecule junctions is essential for the fundamental research of single-molecule physical chemistry and the development towards single-molecule electronic devices and circuits.Among the single-molecule conductance characterization techniques,the single-molecule break junction technique is widely used in tens of worldwide research laboratories which can generate a large amount of experimental data from thousands of individual measurement cycles.However,data interpreta-tion is a challenging task for researchers with different research backgrounds,and the different data analysis approaches sometimes lead to the misunderstanding of the measurement data and even reproducibility issues of the measurement.It is thus a necessity to develop a user-friendly all-in-one data analysis tool that automatizes the basic data analysis in a standard and widely accepted way.In this work,we present the XMe Code(Xiamen Molecular Electronics Code),an intelligent all-in-one data analysis tool for the compre-hensive analysis of single-molecule break junction data.XMe code provides end-to-end data analysis that takes in the original experi-mental data and returns electronic characteristics and even charge transport mechanisms.We believe that XMe Code will promote the transparency of the data analysis in single-molecule electronics and the collaborations among scientists with different research back-grounds.

外文关键词：

Molecular electronicsSingle-molecule studiesBreak junctionData scienceSoftware

作者：

Zhichao Pan、Gang Dong、Chi Shang、Ruihao Li、Tengyang Gao、Luchun Lin、Huicong Duan、Xiaohui Li、Jie Bai、Yilin Lai、Wenfeng Wu、Jia Shi、Junyang Liu、Wenjing Hong

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作者单位：

State Key Laboratory of Physical Chemistry of Solid Surfaces,College of Chemistry and Chemical Engineering & Institute of Artificial Intelligence,Xiamen University,Xiamen,Fujian 361005,China

School of Artificial Intelligence,Guilin University of Electronic Technology,Guilin,Guangxi 541004,China

基金：

国家自然科学基金国家自然科学基金国家重点研发计划Fundamental Research Funds for the Central Universities in China(Xiamen University)IRTSTFJNational Science Foundation of Fujian ProvinceBeijing National Laboratory for Molecular Scienceselectronic workshop of Tan Kah Kee Innovation Laboratory for providing assistance with the performance test

项目编号：

22325303.21973079220320042017YFA0204902207201900022018J06004BNLMS202005

出版年：

2024

DOI：

10.1002/cjoc.202300443

中国化学(英文版)

中国化学会上海有机化学研究所

中国化学(英文版)

CSTPCD

影响因子：0.848

ISSN：1001-604X

年,卷(期)：2024.42(3)

参考文献量63