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Issue 2, 2018
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Architecting pyrediyne nanowalls with improved inter-molecular interactions, electronic features and transport characteristics

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Abstract

Synthesizing graphdiyne analogues with a well-defined structure and desirable band gap is a challenging task. Herein, we present a novel, well-defined and highly structured crystalline π-conjugated nanowall framework, called pyrediyne (pyrene + diyne = pyrediyne), with large in-plane periodicity. The bulk synthesis of the two-dimensional (2D) ultrathin polymeric framework of pyrediyne is achieved via a modified-Glaser–Hay coupling reaction using 1,3,6,8-tetraethynylpyrene. The ultrathin π-conjugated crystalline pyrediyne nanowall is well characterized by Raman, SEM, AFM, HR-TEM and XPS techniques. Electronic structure information reveals the π-conjugated framework to be completely planar with a Cs point group, where a tunable band gap of Eg ∼ 1.17 eV can be achieved depending on the number of pyrene units. The electrostatic potential maps reveal complete π-delocalization of the electron cloud throughout the framework with a high electronegative potential at the acetylenic linkages. This through-bond charge coupling via the conjugated network in conjunction with the charge delocalization via the π⋯π interactions in space accounts for the significant electrical conductivity {σ = 1.23(±0.1) × 10−3 S m−1} of the organic material.

Graphical abstract: Architecting pyrediyne nanowalls with improved inter-molecular interactions, electronic features and transport characteristics

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Publication details

The article was received on 12 Oct 2017, accepted on 04 Dec 2017 and first published on 04 Dec 2017


Article type: Paper
DOI: 10.1039/C7TC04655C
Citation: J. Mater. Chem. C, 2018,6, 380-387
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    Architecting pyrediyne nanowalls with improved inter-molecular interactions, electronic features and transport characteristics

    P. Prabakaran, S. Satapathy, E. Prasad and S. Sankararaman, J. Mater. Chem. C, 2018, 6, 380
    DOI: 10.1039/C7TC04655C

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