One-step sputtering of MoSSe metastable phase as thin film and predicted thermodynamic stability by computational methods
© 2024. The Author(s)..
We present the fabrication of a MoS2-xSex thin film from a co-sputtering process using MoS2 and MoSe2 commercial targets with 99.9% purity. The sputtering of the MoS2 and MoSe2 was carried out using a straight and low-cost magnetron radio frequency sputtering recipe to achieve a MoS2-xSex phase with x = 1 and sharp interface formation as confirmed by Raman spectroscopy, time-of-flight secondary ion mass spectroscopy, and cross-sectional scanning electron microscopy. The sulfur and selenium atoms prefer to distribute randomly at the octahedral geometry of molybdenum inside the MoS2-xSex thin film, indicated by a blue shift in the A1g and E1g vibrational modes at 355 cm-1 and 255 cm-1, respectively. This work is complemented by computing the thermodynamic stability of a MoS2-xSex phase whereby density functional theory up to a maximum selenium concentration of 33.33 at.% in both a Janus-like and random distribution. Although the Janus-like and the random structures are in the same metastable state, the Janus-like structure is hindered by an energy barrier below selenium concentrations of 8 at.%. This research highlights the potential of transition metal dichalcogenides in mixed phases and the need for further exploration employing low-energy, large-scale methods to improve the materials' fabrication and target latent applications of such structures.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:14 |
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| Enthalten in: |
Scientific reports - 14(2024), 1 vom: 26. März, Seite 7104 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
López-Galán, Oscar A [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Revised 29.03.2024 published: Electronic Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1038/s41598-024-57243-3 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM370215036 |
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| 245 | 1 | 0 | |a One-step sputtering of MoSSe metastable phase as thin film and predicted thermodynamic stability by computational methods |
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| 520 | |a © 2024. The Author(s). | ||
| 520 | |a We present the fabrication of a MoS2-xSex thin film from a co-sputtering process using MoS2 and MoSe2 commercial targets with 99.9% purity. The sputtering of the MoS2 and MoSe2 was carried out using a straight and low-cost magnetron radio frequency sputtering recipe to achieve a MoS2-xSex phase with x = 1 and sharp interface formation as confirmed by Raman spectroscopy, time-of-flight secondary ion mass spectroscopy, and cross-sectional scanning electron microscopy. The sulfur and selenium atoms prefer to distribute randomly at the octahedral geometry of molybdenum inside the MoS2-xSex thin film, indicated by a blue shift in the A1g and E1g vibrational modes at 355 cm-1 and 255 cm-1, respectively. This work is complemented by computing the thermodynamic stability of a MoS2-xSex phase whereby density functional theory up to a maximum selenium concentration of 33.33 at.% in both a Janus-like and random distribution. Although the Janus-like and the random structures are in the same metastable state, the Janus-like structure is hindered by an energy barrier below selenium concentrations of 8 at.%. This research highlights the potential of transition metal dichalcogenides in mixed phases and the need for further exploration employing low-energy, large-scale methods to improve the materials' fabrication and target latent applications of such structures | ||
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| 700 | 1 | |a Nogan, John |e verfasserin |4 aut | |
| 700 | 1 | |a Chassaing, Delphine |e verfasserin |4 aut | |
| 700 | 1 | |a Welle, Alexander |e verfasserin |4 aut | |
| 700 | 1 | |a Heilmaier, Martin |e verfasserin |4 aut | |
| 700 | 1 | |a Ramos, Manuel |e verfasserin |4 aut | |
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