First-principles study of AlGaSi ₂ X ₆ (X = S, Se, Te) monolayers: structural, electronic, transport and photocatalytic properties

Thi H. Ho; Tuan V. Vu; A. I. Kartamyshev; Dat D. Vo; Duy Khanh Nguyen; Nguyen N. Hieu

doi:10.1039/d6ra00973e

January 1, 2026RSC AdvancesOpen Access

First-principles study of AlGaSi ₂ X ₆ (X = S, Se, Te) monolayers: structural, electronic, transport and photocatalytic properties

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Key Points

This research aims to examine the structural and electronic properties of quaternary AlGaSi2X6 monolayers for potential use in photocatalysis and nanoelectronics.
Density functional theory calculations were performed to derive structural and electronic properties.
Investigations focused on monolayers of AlGaSi2X6 with X being S, Se, and Te.
AlGaSi2S6, AlGaSi2Se6, and AlGaSi2Te6 exhibit promising properties for photocatalytic applications.
The electronic structure analysis reveals their potential as two-dimensional semiconductors.

Implication

First-principles study explores structural and electronic properties of AlGaSi2X6 monolayers for photocatalytic applications.

Abstract

Density functional theory (DFT) calculations were employed to investigate quaternary AlGaSi 2 X 6 (X = S, Se, Te) monolayers as two-dimensional semiconductors for photocatalytic and nanoelectronic applications.

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Cite This Study

Ho et al. (2026) studied this question.

synapsesocial.com/papers/69fd7e00bfa21ec5bbf06336 https://doi.org/10.1039/d6ra00973e

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First-principles study of AlGaSi ₂ X ₆ (X = S, Se, Te) monolayers: structural, electronic, transport and photocatalytic properties

Key Points

Implication

Abstract

Discussion

Cite This Study

First-principles study of AlGaSi ₂ X ₆ (X = S, Se, Te) monolayers: structural, electronic, transport and photocatalytic properties

Key Points

Implication

Abstract

Discussion

Cite This Study

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