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Oxidation and phase transition in covalently functionalized MoS2

Narine Moses Badlyan Orcid Logo, Nina Pettinger Orcid Logo, Niklas Enderlein Orcid Logo, Roland Gillen Orcid Logo, Xin Chen Orcid Logo, Wanzheng Zhang, Kathrin C. Knirsch, Andreas Hirsch Orcid Logo, Janina Maultzsch Orcid Logo

Physical Review B, Volume: 106, Issue: 10

Swansea University Author: Roland Gillen Orcid Logo

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DOI (Published version): 10.1103/physrevb.106.104103

Abstract

We present a Raman study of MoS2 powders and MoS2 individual layers covalently functionalized with organic molecules. In MoS2 powders, the defect-induced “LA” Raman mode shows evidence for successful functionalization. Increasing temperature induces oxidation of both functionalized and nonfunctional...

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Published in: Physical Review B
ISSN: 2469-9950 2469-9969
Published: American Physical Society (APS) 2022
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URI: https://cronfa.swan.ac.uk/Record/cronfa66649
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spelling v2 66649 2024-06-11 Oxidation and phase transition in covalently functionalized MoS2 8fd99815709ad1e4ae52e27f63257604 0000-0002-7913-0953 Roland Gillen Roland Gillen true false 2024-06-11 ACEM We present a Raman study of MoS2 powders and MoS2 individual layers covalently functionalized with organic molecules. In MoS2 powders, the defect-induced “LA” Raman mode shows evidence for successful functionalization. Increasing temperature induces oxidation of both functionalized and nonfunctionalized MoS2 into MoO3. In contrast, mechanically exfoliated individual MoS2 layers do not transfer into MoO3 under the same conditions. Instead, the Raman spectra show that the procedure of covalent functionalization leads to a partial transition from the 2H into the 1T' crystallographic phase in few-layer MoS2. We support the identification of the 1T' phase by DFT calculations of the corresponding vibrational modes in the mono- and bilayer 1T'-MoS2. Journal Article Physical Review B 106 10 American Physical Society (APS) 2469-9950 2469-9969 8 9 2022 2022-09-08 10.1103/physrevb.106.104103 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University This work was partly funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)– Project No. 447264071– through the SFB 953 “Synthetic Carbon Allotropes”– B13 and A1 and has received funding from the European Union’s Horizon 2020 research and innovation programme Graphene Flagship under Grant Agreement No. 881603. 2024-08-13T11:06:14.6894053 2024-06-11T12:40:16.4813432 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Narine Moses Badlyan 0000-0003-0992-6507 1 Nina Pettinger 0000-0002-1867-6936 2 Niklas Enderlein 0000-0001-9832-1109 3 Roland Gillen 0000-0002-7913-0953 4 Xin Chen 0000-0003-3031-533x 5 Wanzheng Zhang 6 Kathrin C. Knirsch 7 Andreas Hirsch 0000-0003-1458-8872 8 Janina Maultzsch 0000-0002-6088-2442 9 66649__31095__be4f7a0883e74d0299ba8e42c90b7869.pdf 66649.VoR.pdf 2024-08-13T11:05:08.4950031 Output 758166 application/pdf Version of Record true Released under the terms of the Creative Commons Attribution 4.0 International license. true eng https://creativecommons.org/licenses/by/4.0/
title Oxidation and phase transition in covalently functionalized MoS2
spellingShingle Oxidation and phase transition in covalently functionalized MoS2
Roland Gillen
title_short Oxidation and phase transition in covalently functionalized MoS2
title_full Oxidation and phase transition in covalently functionalized MoS2
title_fullStr Oxidation and phase transition in covalently functionalized MoS2
title_full_unstemmed Oxidation and phase transition in covalently functionalized MoS2
title_sort Oxidation and phase transition in covalently functionalized MoS2
author_id_str_mv 8fd99815709ad1e4ae52e27f63257604
author_id_fullname_str_mv 8fd99815709ad1e4ae52e27f63257604_***_Roland Gillen
author Roland Gillen
author2 Narine Moses Badlyan
Nina Pettinger
Niklas Enderlein
Roland Gillen
Xin Chen
Wanzheng Zhang
Kathrin C. Knirsch
Andreas Hirsch
Janina Maultzsch
format Journal article
container_title Physical Review B
container_volume 106
container_issue 10
publishDate 2022
institution Swansea University
issn 2469-9950
2469-9969
doi_str_mv 10.1103/physrevb.106.104103
publisher American Physical Society (APS)
college_str Faculty of Science and Engineering
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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 Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 1
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description We present a Raman study of MoS2 powders and MoS2 individual layers covalently functionalized with organic molecules. In MoS2 powders, the defect-induced “LA” Raman mode shows evidence for successful functionalization. Increasing temperature induces oxidation of both functionalized and nonfunctionalized MoS2 into MoO3. In contrast, mechanically exfoliated individual MoS2 layers do not transfer into MoO3 under the same conditions. Instead, the Raman spectra show that the procedure of covalent functionalization leads to a partial transition from the 2H into the 1T' crystallographic phase in few-layer MoS2. We support the identification of the 1T' phase by DFT calculations of the corresponding vibrational modes in the mono- and bilayer 1T'-MoS2.
published_date 2022-09-08T11:06:13Z
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score 11.035655

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