Электронный каталог

Статья

Matsko, N.L.
Raman Scattering in a MoS&sub(2) Monolayer on Quartz from DFT Calculations: Effect of the Substrate / N.L.Matsko, D.A.Shohonov, V.A.Osipov // Surface Science. – 2025. – Vol. 757. – P. 122725. – URL: https://doi.org/10.1016/j.susc.2025.122725. – Bibliogr.: 41.

The effect of a quartz substrate on Raman scattering in a molybdenum disulfide monolayer is analyzed within the DFT framework. The Raman spectra were studied for several types of the MoS&sub(2)/SiO&sub(2) interface, corresponding to the case of a ‘‘dense’’ SiO&sub(2) surface, a surface with defects, roughness and an interface with S–O chemical bonds. Calculations show that for the vdW type of MoS&sub(2)/SiO&sub(2) interaction, the substrate weakly affects Raman scattering in MoS&sub(2), except some extreme configurations of the SiO&sub(2) surface. In contrast, for interface with S–O chemical bonds the influence of the substrate becomes much stronger, leading to a noticeable splitting and shift of the 𝐸&sup(1)&sub(2𝑔) and 𝐴&sub(1𝑔) Raman peaks in the MoS&sub(2) monolayer.



Спец.(статьи,препринты) = С 36 - Физика твердого тела$
Спец.(статьи,препринты) = С 350 - Приложения методов ядерной физики в смежных областях
ОИЯИ = ОИЯИ (JINR)2025