Comprehensive investigation of electronic and optical features in two-dimensional MoS2/WS2-SnO2 van der Waals heterostructures DOI
Nasir Shehzad,

Imad Iqbal,

Younas Ahmad

и другие.

International Journal of Modern Physics B, Год журнала: 2024, Номер unknown

Опубликована: Дек. 23, 2024

First-principles calculations have been employed here to investigate the optical and electrical properties of experimentally synthesized Mo(W)S 2 -SnO vdW heterostructures [J. Phys. Chem. C 2020, 124, 1, 647–652, 2019, 525, 110398]. Rigorous dynamical stability assessments confirm structural robustness, evident in phonon dispersion AIMD simulations at 500 K. The interfacial binding energy values reflect our simulated heterostructures. With intrinsic type-II band alignment direct gaps 1.21[Formula: see text]eV (MoS -SnO[Formula: text] 1.003[Formula: (WS text], these emerge as promising candidates for high-efficiency devices. Higher static dielectric constants comparison with numerous signify low charge carrier recombination rates, enhancing practical appeal. Optical analyses reveal substantial visible ultraviolet (UV) spectrum absorption, while MoS WS exhibit photoelectric conversion efficiencies 15.08% 13.65%. A thorough examination characteristics provides a comprehensive understanding positioning advanced optoelectronic

Язык: Английский

Comprehensive investigation of electronic and optical features in two-dimensional MoS2/WS2-SnO2 van der Waals heterostructures DOI
Nasir Shehzad,

Imad Iqbal,

Younas Ahmad

и другие.

International Journal of Modern Physics B, Год журнала: 2024, Номер unknown

Опубликована: Дек. 23, 2024

First-principles calculations have been employed here to investigate the optical and electrical properties of experimentally synthesized Mo(W)S 2 -SnO vdW heterostructures [J. Phys. Chem. C 2020, 124, 1, 647–652, 2019, 525, 110398]. Rigorous dynamical stability assessments confirm structural robustness, evident in phonon dispersion AIMD simulations at 500 K. The interfacial binding energy values reflect our simulated heterostructures. With intrinsic type-II band alignment direct gaps 1.21[Formula: see text]eV (MoS -SnO[Formula: text] 1.003[Formula: (WS text], these emerge as promising candidates for high-efficiency devices. Higher static dielectric constants comparison with numerous signify low charge carrier recombination rates, enhancing practical appeal. Optical analyses reveal substantial visible ultraviolet (UV) spectrum absorption, while MoS WS exhibit photoelectric conversion efficiencies 15.08% 13.65%. A thorough examination characteristics provides a comprehensive understanding positioning advanced optoelectronic

Язык: Английский

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