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The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy

Dibya Phuyal, Sagar Jain, Bertrand Philippe, Malin B. Johansson, Meysam Pazoki, Jolla Kullgren, Kristina O. Kvashnina, Matthias Klintenberg, Erik M. J. Johansson, Sergei M. Butorin, Olof Karis, Håkan Rensmo

Journal of Materials Chemistry A

Swansea University Author: Sagar Jain

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DOI (Published version): 10.1039/C8TA00947C

Abstract

Bismuth halide compounds as a non-toxic alternative are increasingly investigated for their potential in optoelectronic devices and for their rich structural chemistry. Hard x-ray spectroscopy was applied to the ternary bismuth halide Cs3Bi2I9 and its related precursor BiI3 and CsI to understand its...

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Published in: Journal of Materials Chemistry A
ISSN: 2050-7488 2050-7496
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa39377
first_indexed 2018-04-12T13:33:05Z
last_indexed 2018-05-22T19:00:51Z
id cronfa39377
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spelling 2018-05-22T14:49:17.0908796 v2 39377 2018-04-12 The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy 7073e179bb5b82db3e3efd3a8cd07139 Sagar Jain Sagar Jain true false 2018-04-12 Bismuth halide compounds as a non-toxic alternative are increasingly investigated for their potential in optoelectronic devices and for their rich structural chemistry. Hard x-ray spectroscopy was applied to the ternary bismuth halide Cs3Bi2I9 and its related precursor BiI3 and CsI to understand its electronic structure at an atomic level. We specifically investigated the core-levels and valence band using x-ray photoemission spectroscopy (PES), high-resolution x-ray absorption (HERFD- XAS), and resonant inelastic x-ray scattering (RIXS) to get insight into the chemistry and the band edge properties of the two bismuth compounds. Using these element specific x-ray techniques, our experimental electronic structure show that the primary difference between the two bismuth samples are the position of the iodine states in the valence and conduction bands, and the degree of hybridization with bismuth lone pair (6s2) states. The crystal structure of the two layered quasi-perovskite compounds play a minor role in modifying the overall electronic structure, with variations in bismuth lone pair states and of iodine band edge states. Density Functional Theory (DFT) calculations is used to compare with experimental data. The results demonstrate the effectiveness of hard x-ray spectroscopies to identify element specific bulk electronic structure and their use in optoelectronic devices. Journal Article Journal of Materials Chemistry A 2050-7488 2050-7496 31 12 2018 2018-12-31 10.1039/C8TA00947C COLLEGE NANME COLLEGE CODE Swansea University 2018-05-22T14:49:17.0908796 2018-04-12T09:07:39.7128261 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised Dibya Phuyal 1 Sagar Jain 2 Bertrand Philippe 3 Malin B. Johansson 4 Meysam Pazoki 5 Jolla Kullgren 6 Kristina O. Kvashnina 7 Matthias Klintenberg 8 Erik M. J. Johansson 9 Sergei M. Butorin 10 Olof Karis 11 Håkan Rensmo 12 0039377-22052018144706.pdf PhuyalTheElectronicStructure2018.pdf 2018-05-22T14:47:06.7500000 Output 1273283 application/pdf Version of Record true 2018-05-22T00:00:00.0000000 This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. true eng
title The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy
spellingShingle The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy
Sagar Jain
title_short The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy
title_full The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy
title_fullStr The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy
title_full_unstemmed The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy
title_sort The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy
author_id_str_mv 7073e179bb5b82db3e3efd3a8cd07139
author_id_fullname_str_mv 7073e179bb5b82db3e3efd3a8cd07139_***_Sagar Jain
author Sagar Jain
author2 Dibya Phuyal
Sagar Jain
Bertrand Philippe
Malin B. Johansson
Meysam Pazoki
Jolla Kullgren
Kristina O. Kvashnina
Matthias Klintenberg
Erik M. J. Johansson
Sergei M. Butorin
Olof Karis
Håkan Rensmo
format Journal article
container_title Journal of Materials Chemistry A
publishDate 2018
institution Swansea University
issn 2050-7488
2050-7496
doi_str_mv 10.1039/C8TA00947C
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Uncategorised{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Uncategorised
document_store_str 1
active_str 0
description Bismuth halide compounds as a non-toxic alternative are increasingly investigated for their potential in optoelectronic devices and for their rich structural chemistry. Hard x-ray spectroscopy was applied to the ternary bismuth halide Cs3Bi2I9 and its related precursor BiI3 and CsI to understand its electronic structure at an atomic level. We specifically investigated the core-levels and valence band using x-ray photoemission spectroscopy (PES), high-resolution x-ray absorption (HERFD- XAS), and resonant inelastic x-ray scattering (RIXS) to get insight into the chemistry and the band edge properties of the two bismuth compounds. Using these element specific x-ray techniques, our experimental electronic structure show that the primary difference between the two bismuth samples are the position of the iodine states in the valence and conduction bands, and the degree of hybridization with bismuth lone pair (6s2) states. The crystal structure of the two layered quasi-perovskite compounds play a minor role in modifying the overall electronic structure, with variations in bismuth lone pair states and of iodine band edge states. Density Functional Theory (DFT) calculations is used to compare with experimental data. The results demonstrate the effectiveness of hard x-ray spectroscopies to identify element specific bulk electronic structure and their use in optoelectronic devices.
published_date 2018-12-31T04:16:18Z
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