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One-step sputtering of MoSSe metastable phase as thin film and predicted thermodynamic stability by computational methods.

Authors :
López-Galán OA
Boll T
Nogan J
Chassaing D
Welle A
Heilmaier M
Ramos M
Source :
Scientific reports [Sci Rep] 2024 Mar 26; Vol. 14 (1), pp. 7104. Date of Electronic Publication: 2024 Mar 26.
Publication Year :
2024

Abstract

We present the fabrication of a MoS <subscript>2-x</subscript> Se <subscript>x</subscript> thin film from a co-sputtering process using MoS <subscript>2</subscript> and MoSe <subscript>2</subscript> commercial targets with 99.9% purity. The sputtering of the MoS <subscript>2</subscript> and MoSe <subscript>2</subscript> was carried out using a straight and low-cost magnetron radio frequency sputtering recipe to achieve a MoS <subscript>2-x</subscript> Se <subscript>x</subscript> 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 MoS <subscript>2-x</subscript> Se <subscript>x</subscript> thin film, indicated by a blue shift in the A <subscript>1g</subscript> and E <superscript>1</superscript> <subscript>g</subscript> vibrational modes at 355 cm <superscript>-1</superscript> and 255 cm <superscript>-1</superscript> , respectively. This work is complemented by computing the thermodynamic stability of a MoS <subscript>2-x</subscript> Se <subscript>x</subscript> 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.<br /> (© 2024. The Author(s).)

Details

Language :
English
ISSN :
2045-2322
Volume :
14
Issue :
1
Database :
MEDLINE
Journal :
Scientific reports
Publication Type :
Academic Journal
Accession number :
38531954
Full Text :
https://doi.org/10.1038/s41598-024-57243-3