Bi_2+2nO_2+2nCu_2-δSe_2+n-δX_δ (X = CI, Br): A Three-Anion Homologous Series

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Gibson, Quinn D, Dyer, Matthew S ORCID: 0000-0002-4923-3003, Robertson, Craig ORCID: 0000-0002-4789-7607, Delacotte, Charlene, Manning, Troy D ORCID: 0000-0002-7624-4306, Pitcher, Michael J, Daniels, Luke M ORCID: 0000-0002-7077-6125, Zanella, Marco ORCID: 0000-0002-6164-6169, Alaria, Jonathan ORCID: 0000-0001-5868-0318, Claridge, John B ORCID: 0000-0003-4849-6714 et al (show 1 more authors) and Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 (2018) Bi_2+2nO_2+2nCu_2-δSe_2+n-δX_δ (X = CI, Br): A Three-Anion Homologous Series INORGANIC CHEMISTRY, 57 (20). pp. 12489-12500. ISSN 0020-1669, 1520-510X

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Abstract

Both layered multiple-anion compounds and homologous series are of interest for their electronic properties, including the ability to tune the properties by changing the nature or number of the layers. Here we expand, using both computational and experimental techniques, a recently reported three-anion material, Bi<inf>4</inf>O<inf>4</inf>Cu<inf>1.7</inf>Se<inf>2.7</inf>Cl<inf>0.3</inf>, to the homologous series Bi<inf>2+2n</inf>O<inf>2+2n</inf>Cu<inf>2-δ</inf>Se<inf>2+n-δ</inf>X<inf>δ</inf> (X = Cl, Br), composed of parent blocks that are well-studied thermoelectric materials. All of the materials show exceptionally low thermal conductivity (0.2 W/mK and lower) parallel to the axis of pressing of the pellets, as well as narrow band gaps (as low as 0.28 eV). Changing the number of layers affects the band gap, thermal conductivity, carrier type, and presence of a phase transition. Furthermore, the way in which the different numbers of layers are accessed, by tuning the compensating Cu vacancy concentration and halide substitution, represents a novel route to homologous series. This homologous series shows tunable properties, and the route explored here could be used to build new homologous series out of known structural blocks.

Item Type:	Article
Uncontrolled Keywords:	3402 Inorganic Chemistry, 3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences
Depositing User:	Symplectic Admin
Date Deposited:	29 Jan 2019 08:43
Last Modified:	16 Jun 2026 06:04
DOI:	10.1021/acs.inorgchem.8b01126
Related Websites:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3031918
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