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|a 10.1021/acs.langmuir.4c00678
|2 doi
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|a DE-627
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|a eng
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|a Guo, Hong-Yang
|e verfasserin
|4 aut
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|a Effects of Connectivity Isomerization on Electron Transport Through Thiophene Heterocyclic Molecular Junction
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|c 2024
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|a Text
|b txt
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Revised 07.05.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a Connectivity isomerization of the same aromatic molecular core with different substitution positions profoundly affects electron transport pathways and single-molecule conductance. Herein, we designed and synthesized all connectivity isomers of a thiophene (TP) aromatic ring substituted by two dihydrobenzo[b]thiophene (BT) groups with ethynyl spacers (m,n-TP-BT, (m,n = 2,3; 2,4; 2,5; 3,4)), to systematically probe how connectivity contributes to single-molecule conductance. Single-molecule conductance measurements using a scanning tunneling microscopy break junction (STM-BJ) technique show ∼12-fold change in conductance values, which follow an order of 10-4.83 G0 (2,4-TP-BT) < 10-4.78 G0 (3,4-TP-BT) < 10-4.06 G0 (2,3-TP-BT) < 10-3.75 G0 (2,5-TP-BT). Electronic structure analysis and theoretical simulations show that the connectivity isomerization significantly changes electron delocalization and HOMO-LUMO energy gaps. Moreover, the connectivity-dependent molecular structures lead to different quantum interference (QI) effects in electron transport, e.g., a strong destructive QI near E = EF leads the smallest conductance value for 2,4-TP-BT. This work proves a clear relationship between the connectivity isomerization and single-molecule conductance of thiophene heterocyclic molecular junctions for the future design of molecular devices
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|a Journal Article
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|a Pei, Lin-Qi
|e verfasserin
|4 aut
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|a Cai, Zhuan-Yun
|e verfasserin
|4 aut
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|a Sun, Nan
|e verfasserin
|4 aut
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|a Zheng, Ju-Fang
|e verfasserin
|4 aut
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|a Shao, Yong
|e verfasserin
|4 aut
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|a Wang, Ya-Hao
|e verfasserin
|4 aut
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|a Wu, De-Yin
|e verfasserin
|4 aut
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|a Jin, Shan
|e verfasserin
|4 aut
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|a Zhou, Xiao-Shun
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 40(2024), 18 vom: 07. Mai, Seite 9717-9724
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
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|g volume:40
|g year:2024
|g number:18
|g day:07
|g month:05
|g pages:9717-9724
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|u http://dx.doi.org/10.1021/acs.langmuir.4c00678
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