Effect of Modified Thiophene Anchor on Molecule-Electrode Bonding

Lei, Yongjiu; Wang, Xu; Wang, Zhiye; Zhou, Jianghao; Chen, Haijian; Liu, Liang; Li, Yunchuan; Xiao, Bohuai; Chang, Shuai

doi:10.3866/pku.whxb202212023

Cited by 5 publications

(5 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It is reported that the thiophene can bind to the Au electrode to form molecular junctions. 9,42,43 The controlled experiment in the pure solvent excludes the high conductance from the solvent molecules (Figure S3). Thus, the high conductance of 10 −2.8 G 0 could be attributed to the configuration of the molecular junction formed through the central TP ring and terminal anchoring group.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Effects of Connectivity Isomerization on Electron Transport Through Thiophene Heterocyclic Molecular Junction

Guo,

Pei,

Cai

et al. 2024

Langmuir

View full text Add to dashboard Cite

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 ∼12fold change in conductance values, which follow an order of 10 −4.83 G 0 (2,4-TP-BT) < 10 −4.78 G 0 (3,4-TP-BT) < 10 −4.06 G 0 (2,3-TP-BT) < 10 −3.75 G 0 (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 = E F leads the smallest conductance value for 2,4-TP-BT. This work proves a clear relationship between the connectivity isomerization and singlemolecule conductance of thiophene heterocyclic molecular junctions for the future design of molecular devices.

show abstract

Section: ■ Results and Discussionmentioning

confidence: 99%

Effects of Connectivity Isomerization on Electron Transport Through Thiophene Heterocyclic Molecular Junction

Guo,

Pei,

Cai

et al. 2024

Langmuir

View full text Add to dashboard Cite

show abstract

“…Molecules terminated by thiophene anchors were reported to be able to directly couple with electrodes via their π orbitals (also referred to as Au-π binding mode) and to exhibit a G h state approximately 1 order of magnitude higher than a G l state resulting from thiophene S chemically bound to the Au electrodes (referred to a Au–S binding) during the conductance measurement. , Thus, as suggested by the structures of IDT-R, IDT-BR, and IDT-BO, the G h states could likely be caused by Au−π binding, and the G l states could result from Au–S binding. Additional evidence for the assigned two binding configurations could be seen in the transmission probability calculation (Figure S4), which shows that conductance resulting from the Au-π binding for IDT-R, IDT-BR, or IDT-BO is one more order of magnitude higher than that resulting from Au–S binding.…”

Section: Resultsmentioning

confidence: 99%

Important Role of Intramolecular Charge Transport in Film Mobility

Wang,

Lei

et al. 2023

J. Phys. Chem. C

Self Cite

View full text Add to dashboard Cite

“…The BJ method, capable of creating thousands of molecular junctions in a short time, is widely utilized for constructing SMJs and measuring charge transport through individual molecules. This method involves rapid collision and separation between electrodes, which can be achieved using platforms or techniques such as scanning tunneling microscopy (STM), ,− conductive-atomic force microscopy (C-AFM), and mechanically controlled break junctions (MCBJ). , …”

Section: One-molecule Systemmentioning

confidence: 99%