Delimited Polyacenes: Edge Topology as a Tool To Modulate Carbon Nanoribbon Structure, Conjugation, and Mobility

Qianxiang Ai; Karol Jarolimek; Samuel Mazza; John E. Anthony; Chad Risko

doi:10.1021/acs.chemmater.7b04715

journal article·2018-02-13

Delimited Polyacenes: Edge Topology as a Tool To Modulate Carbon Nanoribbon Structure, Conjugation, and Mobility

Qianxiang Ai, Karol Jarolimek, Samuel Mazza, John E. Anthony, Chad Risko

Chemistry of Materials· Volume 30· Issue 3

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Source abstract

Abstract

Carbon nanoribbons offer the potential of semiconducting materials that maintain the large charge-carrier mobilities of graphene. Here, starting with polyacene as a reference, we present a theoretical investigation as to how polycyclic aromatic hydrocarbons inserted into the polymer structure modulate the edge topology of the zigzag polyacene. The variations in edge topology, in turn, produce nanoribbon structures that have electronic properties that span insulators to narrow-gap semiconductors. Clear connections are made among foundational models in aromatic chemistry, namely, descriptions in terms of Clar formulas and bond-length alternation patterns, and the nanoribbon electronic, phonon, and charge-carrier mobility characteristics. These relationships, for systems that are synthetically feasible from bottom-up, solution-based approaches, offer a priori and rational design paradigms for the creation of new nanoribbon architectures.

Source: openalex_inverted_index · Quality: baseline

Research context

Polymers Nanomaterials Electronic materials

OpenAlex topics: Graphene research and applications · Carbon Nanotubes in Composites · Synthesis and Properties of Aromatic Compounds

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry & Center for Applied Energy Research, University of Kentucky, Lexington, Kentucky 40506-0055, United States

Funding

University of Kentucky · Office of Naval Research

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