期刊
NANO LETTERS
卷 21, 期 1, 页码 673-679出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.0c04260
关键词
Molecular planarization; Resonant Transport; Single-Molecule Conductance; Diketopyrrolopyrrole
类别
资金
- National Science Foundation [DMR-1807580]
- Department of Science and Technology, New Delhi, India
- Danish Council for Independent Research Natural Sciences
- Carlsberg Foundation
- EPSRC [EP/P032591/1] Funding Source: UKRI
The structural changes in a DPP molecule induced by charge transport at a high bias increase the average nonresonant conductance of Au-DPP-Au junctions and lead to planarization of the molecular backbone. This conformational planarization is assisted by thermally activated junction reorganization and only occurs under specific electronic conditions.
Probing structural changes of a molecule induced by charge transfer is important for understanding the physicochemical properties of molecules and developing new electronic devices. Here, we interrogate the structural changes of a single diketopyrrolopyrrole (DPP) molecule induced by charge transport at a high bias using scanning tunneling microscope break junction (STM-BJ) techniques. Specifically, we demonstrate that application of a high bias increases the average nonresonant conductance of single Au-DPP-Au junctions. We infer from the increased conductance that resonant charge transport induces planarization of the molecular backbone. We further show that this conformational planarization is assisted by thermally activated junction reorganization. The planarization only occurs under specific electronic conditions, which we rationalize by ab initio calculations. These results emphasize the need for a comprehensive view of single-molecule junctions which includes both the electronic properties and structure of the molecules and the electrodes when designing electrically driven single-molecule motors.
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