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Architecting Pyrediyne Nanowalls with Improved Inter-Molecular Interactions, Electronic Features and Transport characteristics

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, named as 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 Cs point group, where a tunable band gap of Eg ~1.17 eV can be achieved depending upon the number of pyrene units. The electrostatic potential maps reveals a complete π-delocalization of the electron cloud throughout the framework with high electronegative potential at the acetylenic linkages. This through-bond charge coupling via the conjugated network which in conjunction with the charge delocalization via π....π interactions in space accounts for the observed significant electrical conductivity {σ= 1.23(±0.1)x10 ^ -3 S m^-1} in the organic material.

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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, 2017, Accepted Manuscript
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    Architecting Pyrediyne Nanowalls with Improved Inter-Molecular Interactions, Electronic Features and Transport characteristics

    P. Prabakaran, S. Satapathy, P. Edamana and S. Sankararaman, J. Mater. Chem. C, 2017, Accepted Manuscript , DOI: 10.1039/C7TC04655C

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