The pivotal role of non-covalent interactions in single-molecule charge transport

Ayinla, Ridwan Tobi; Shiri, Mehrdad; Song, Bo; Gangishetty, Mahesh; Wang, Kun

doi:10.1039/d3qm00210a

Title: The pivotal role of non-covalent interactions in single-molecule charge transport

Journal Article · 02 May 2023 · Materials Chemistry Frontiers

DOI: https://doi.org/10.1039/d3qm00210a · OSTI ID:1992700

Ayinla, Ridwan Tobi ^[1]; Shiri, Mehrdad ^[1];

^[2];

^[1];

^[1]

Mississippi State University, Mississippi State, MS (United States)
Northwestern University, Evanston, IL (United States)

Integrating multidisciplinary efforts from physics, chemistry, biology, and materials science, the field of single-molecule electronics has witnessed remarkable progress over the past two decades thanks to the development of single-molecule junction techniques. To date, researchers have interrogated charge transport across a broad spectrum of single molecules. While the electrical properties of covalently linked molecules have been extensively investigated, the impact of non-covalent interactions has only started to garner increasing attention in recent years. Undoubtedly, a deep understanding of both covalent and non-covalent interactions is imperative to expand the functionality and scalability of molecular-scale devices with the potential of using molecules as active components in various applications. In this review, we survey recent advances in probing how non-covalent interactions affect electron transmission through single molecules using single-molecule junction techniques. We concentrate on understanding the role of several key non-covalent interactions, including π–π and σ–σ stacking, hydrogen bonding, host–guest interactions, charge transfer complexation, and mechanically interlocked molecules. We aim to provide molecular-level insights into the structure–property relations of molecular junctions that feature these interactions from both experimental and theoretical perspectives.

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Research Organization:: Mississippi State Univ., Mississippi State, MS (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE

Grant/Contract Number:: SC0021942

OSTI ID:: 1992700

Alternate ID(s):: OSTI ID: 1974085; OSTI ID: 1993901

Journal Information:: Materials Chemistry Frontiers, Vol. 7, Issue 17; ISSN 2052-1537

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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