Sb 5s2 lone pairs and band alignment of Sb2Se3: a photoemission and density functional theory study

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Don, Christopher H, Shiel, Huw, Hobson, Theodore DC ORCID: 0000-0002-0013-360X, Savory, Christopher N, Swallow, Jack EN, Smiles, Matthew J ORCID: 0000-0003-2530-5647, Jones, Leanne AH ORCID: 0000-0002-4654-3882, Featherstone, Thomas J, Thakur, Pardeep K, Lee, Tien-Lin et al (show 5 more authors) , Durose, Ken ORCID: 0000-0003-1183-3211, Major, Jonathan D ORCID: 0000-0002-5554-1985, Dhanak, Vinod R, Scanlon, David O and Veal, Tim D ORCID: 0000-0002-0610-5626 (2020) Sb 5s2 lone pairs and band alignment of Sb2Se3: a photoemission and density functional theory study. Journal of Materials Chemistry C, 8 (36). pp. 12615-12622.

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Abstract

<p>Lone pair Sb 5s orbitals are identified at the valence band maximum of Sb₂Se₃ bulk crystals using photoemission and density functional theory. The resulting band alignments are determined and implications for solar cell applications are discussed.</p>

Item Type:	Article
Depositing User:	Symplectic Admin
Date Deposited:	07 Sep 2020 08:20
Last Modified:	18 Jan 2023 23:35
DOI:	10.1039/d0tc03470c
Open Access URL:	https://pubs.rsc.org/en/content/articlepdf/2020/tc...
Related URLs:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3100144