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  Interlocking Mechanism between Molecular Gears Attached to Surfaces

Zhao, R., Zhao, Y.-L., Qi, F., Hermann, K., Zhang, R.-Q., & Van Hove, M. A. (2018). Interlocking Mechanism between Molecular Gears Attached to Surfaces. ACS Nano, 12(3), 3020-3029. doi:10.1021/acsnano.8b00784.

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1802.01802.pdf (Preprint), 2MB
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2018
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 Urheber:
Zhao, Rundong1, Autor
Zhao, Yan-Ling2, Autor
Qi, Fei1, Autor
Hermann, Klaus3, Autor           
Zhang, Rui-Qin2, 4, Autor
Van Hove, Michel A.1, Autor
Affiliations:
1Institute of Computational and Theoretical Studies & Department of Physics, Hong Kong Baptist University, Hong Kong SAR, China, ou_persistent22              
2Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR, China, ou_persistent22              
3Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, ou_24023              
4Beijing Computational Science Research Center, Beijing, China, ou_persistent22              

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Schlagwörter: Physics, Chemical Physics, physics.chem-ph, Condensed Matter, Materials Science, cond-mat.mtrl-sci
 Zusammenfassung: While molecular machines play an increasingly significant role in nanoscience research and applications, there remains a shortage of investigations and understanding of the molecular gear (cogwheel), which is an indispensable and fundamental component to drive a larger correlated molecular machine system. Employing ab initio calculations, we investigate model systems consisting of molecules adsorbed on metal or graphene surfaces, ranging from very simple triple-arm gears such as PF3 and NH3 to larger multi-arm gears based on carbon rings. We explore in detail the transmission of slow rotational motion from one gear to the next by these relatively simple molecules, so as to isolate and reveal the mechanisms of the relevant intermolecular interactions. Several characteristics of molecular gears are discussed, in particular the flexibility of the arms and the slipping and skipping between interlocking arms of adjacent gears, which differ from familiar macroscopic rigid gears. The underlying theoretical concepts suggest strongly that other analogous structures may also exhibit similar behavior which may inspire future exploration in designing large correlated molecular machines.

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Sprache(n): eng - English
 Datum: 2018-01-302018-02-222018-02-222018-03-27
 Publikationsstatus: Erschienen
 Seiten: 10
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Art des Abschluß: -

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Titel: ACS Nano
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Washington, DC : American Chemical Society
Seiten: 10 Band / Heft: 12 (3) Artikelnummer: - Start- / Endseite: 3020 - 3029 Identifikator: ISSN: 1936-0851
CoNE: https://pure.mpg.de/cone/journals/resource/1936-0851