Volume 17, Issue 3 2006709
Full Paper

Single-Molecule Conductance of a π-Hybridized Tripodal Anchor while Maintaining Electronic Communication

Tatsuhiko Ohto

Corresponding Author

Tatsuhiko Ohto

Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531 Japan

E-mail: [email protected], [email protected], [email protected], [email protected], [email protected]

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Aya Tashiro

Aya Tashiro

The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka, 567-0047 Japan

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Takuji Seo

Takuji Seo

The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka, 567-0047 Japan

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Nana Kawaguchi

Nana Kawaguchi

The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka, 567-0047 Japan

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Yuichi Numai

Yuichi Numai

Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531 Japan

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Junpei Tokumoto

Junpei Tokumoto

Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531 Japan

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Soichiro Yamaguchi

Soichiro Yamaguchi

Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531 Japan

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Ryo Yamada

Corresponding Author

Ryo Yamada

Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531 Japan

E-mail: [email protected], [email protected], [email protected], [email protected], [email protected]

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Hirokazu Tada

Corresponding Author

Hirokazu Tada

Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531 Japan

E-mail: [email protected], [email protected], [email protected], [email protected], [email protected]

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Yoshio Aso

Corresponding Author

Yoshio Aso

The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka, 567-0047 Japan

E-mail: [email protected], [email protected], [email protected], [email protected], [email protected]

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Yutaka Ie

Corresponding Author

Yutaka Ie

The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka, 567-0047 Japan

E-mail: [email protected], [email protected], [email protected], [email protected], [email protected]

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First published: 18 December 2020
Citations: 6

Abstract

Direct hybridization between the π-orbital of a conjugated molecule and metal electrodes is recognized as a new anchoring strategy to enhance the electrical conductance of single-molecule junctions. The anchor is expected to maintain direct hybridization between the conjugated molecule and the metal electrodes, and control the orientation of the molecule against the metal electrodes. However, fulfilling both requirements is difficult because multipodal anchors aiming at a robust contact with the electrodes often break the π-conjugation, thereby resulting in an inefficient carrier transport. Herein, a new tripodal anchor framework—a 7,7-diphenyl-7H-benzo[6,7]indeno[1,2-b]thiophene (PBIT) derivative—is developed. In this framework, π-conjugation is maintained in the molecular junction, and the tripodal structure makes the molecule stand upright on the metal electrode. Molecular conductance is measured by the break junction technique. A vector-based classification and first-principles transport calculations determine the single-molecule conductance of the tripodal-anchoring structure. The conductance of the PBIT-based molecule is higher than that of the tripodal anchor having sp3 carbon atoms in the carrier transport pathway. These results demonstrate that extending the π-conjugation to the tripodal leg is an effective strategy for enhancing the conductivities of single-molecule junctions.

Conflict of Interest

The authors declare no conflict of interest.

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