No Cover Image

Journal article 38 views 3 downloads

Controlling the thermoelectric properties of organo-metallic coordination polymers through backbone geometry

Zilu Liu, Md Azimul Haque, Chris Savory Orcid Logo, Tianjun Liu Orcid Logo, Satoru Matsuishi, Oliver Fenwick Orcid Logo, David O. Scanlon Orcid Logo, Martijn A. Zwijnenburg Orcid Logo, Derya Baran, Bob C. Schroeder Orcid Logo

Faraday Discussions, Volume: 250, Pages: 377 - 389

Swansea University Author: Chris Savory Orcid Logo

  • 70858.VoR.pdf

    PDF | Version of Record

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

    Download (703.7KB)

Check full text

DOI (Published version): 10.1039/d3fd00139c

Abstract

Poly(nickel-benzene-1,2,4,5-tetrakis(thiolate)) (Ni-btt), an organometallic coordination polymer (OMCP) characterized by the coordination between benzene-1,2,4,5-tetrakis(thiolate) (btt) and Ni2+ ions, has been recognized as a promising p-type thermoelectric material. In this study, we employed a co...

Full description

Published in: Faraday Discussions
ISSN: 1359-6640 1364-5498
Published: Royal Society of Chemistry (RSC) 2023
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa70858
Abstract: Poly(nickel-benzene-1,2,4,5-tetrakis(thiolate)) (Ni-btt), an organometallic coordination polymer (OMCP) characterized by the coordination between benzene-1,2,4,5-tetrakis(thiolate) (btt) and Ni2+ ions, has been recognized as a promising p-type thermoelectric material. In this study, we employed a constitutional isomer based on benzene-1,2,3,4-tetrakis(thiolate) (ibtt) to generate the corresponding isomeric polymer, poly(nickel-benzene-1,2,3,4-tetrakis(thiolate)) (Ni-ibtt). Comparative analysis of Ni-ibtt and Ni-btt reveals several common infrared (IR) and Raman features attributed to their similar square-planar nickel–sulfur (Ni–S) coordination. Nevertheless, these two polymer isomers exhibit substantially different backbone geometries. Ni-btt possesses a linear backbone, whereas Ni-ibtt exhibits a more undulating, zig-zag-like structure. Consequently, Ni-ibtt demonstrates slightly higher solubility and an increased bandgap in comparison to Ni-btt. The most noteworthy dissimilarity, however, manifests in their thermoelectric properties. While Ni-btt exhibits p-type behavior, Ni-ibtt demonstrates n-type carrier characteristics. This intriguing divergence prompted further investigation into the influence of OMCP backbone geometry on the electronic structure and, particularly, the thermoelectric properties of these materials.
College: Faculty of Science and Engineering
Funders: ZL and TL were supported by the China Scholarship Council (CSC). CNS acknowledges the Ramsay Memorial Fellowship Trust and UCL Department of Chemistry for the funding of a Ramsay Memorial Fellowship. The use of the UCL Myriad and Kathleen High Performance Computing Facilities (Myriad@UCL and Kathleen@UCL) is acknowledged in the production of this work. SM acknowledges MEXT Elements Strategy Initiative to Form Core Research Center (Grant JPMXP0112101001)for nancial support. OFisfundedbyaRoyalSociety University Research Fellowship (UF140372 and URF/R/201013). BCS and MAZ acknowledge the EPSRC (Grant EP/R034540/1, Defect Functionalized Sustainable Energy Materials: from Design to Devices Application). BCS acknowledge the UK Research and Innovation for Future Leaders Fellowship no. MR/S031952/1 for nancial support.
Start Page: 377
End Page: 389

Similar Items