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

查看全文 作　　者：Zhichao [1,2]Pan;Gang [1]Dong;Chi [1]Shang;Ruihao [1]Li;Tengyang [1]Gao;Luchun [1]Lin;Huicong [1]Duan;Xiaohui [1]Li;Jie [1]Bai;Yilin [1]Lai;Wenfeng [1]Wu;Jia [1]Shi;Junyang [1]Liu;Wenjing [1]Hong 高影响力作者 机构地区：[1]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;[2]School of Artificial Intelligence,Guilin University of Electronic Technology,Guilin,Guangxi,541004 China高影响力机构 出　　处：《Chinese Journal of Chemistry》索引2024年第42卷第3期,共13页高影响力期刊 基　　金：supported by the National Natural Science Foundation of China(22325303,21973079,22032004);the National Key R&D Program of China(2017YFA0204902);the Fundamental Research Funds for the Central Universities in China(Xiamen University,20720190002);IRTSTFJ,National Science Foundation of Fujian Province(2018J06004);Beijing National Laboratory for Molecular Sciences(BNLMS202005). 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 interpretation 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 comprehensive analysis of single-molecule break junction data. XMe code provides end-to-end data analysis that takes in the original experimental 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 backgrounds. 关 键 词：Molecular electronics Single-molecule studies Break junction Data science Software
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