Prabakaran, Palani ; Satapathy, Sitakanta ; Prasad, Edamana ; Sankararaman, Sethuraman (2018) Architecting pyrediyne nanowalls with improved inter-molecular interactions, electronic features and transport characteristics Journal of Materials Chemistry C, 6 (2). pp. 380-387. ISSN 2050-7526
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Official URL: http://doi.org/10.1039/C7TC04655C
Related URL: http://dx.doi.org/10.1039/C7TC04655C
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.
Item Type: | Article |
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Source: | Copyright of this article belongs to The Royal Society of Chemistry. |
ID Code: | 124312 |
Deposited On: | 12 Nov 2021 12:01 |
Last Modified: | 12 Nov 2021 12:01 |
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