What does this research mean for the field?

NaLiZnS2 and RbLiZnS2 are mechanically stable quaternary chalcogenides whose structural stiffness, optical activity, and thermoelectric efficiency are enhanced by alkali-metal substitution. Novelty: ClaimNovelty.INCREMENTAL. Consensus alignment: ConsensusAlignment.NEUTRAL.

What question did this study set out to answer?

The aim is to investigate the potential of NaLiZnS2 and RbLiZnS2 as materials for energy harvesting.

May 17, 2026RSC Advances0 citationsOpen Access

First-principles study of ALiZnS 2 (A = Na, Rb) promising quaternary chalcogenides for energy harvesting

MKMuhammad Salman KhanAbdul Wali Khan University Mardan MAMohannad Al-HmoudImam Mohammad ibn Saud Islamic University BGBanat GulUniversity of the Sciences

Key Points

The aim is to investigate the potential of NaLiZnS2 and RbLiZnS2 as materials for energy harvesting.
Conducted first-principles computational analysis to evaluate material properties.
Assessed dielectric response, refractive index, and UV absorption characteristics.
Explored the effects of alkali-metal substitution on structural and electronic properties.
Both NaLiZnS2 and RbLiZnS2 demonstrate mechanical stability.
High dielectric response, refractive index, and UV absorption were observed.
Alkali-metal substitution significantly enhances thermoelectric efficiency and optical activity.

Abstract

NaLiZnS 2 and RbLiZnS 2 are mechanically stable. Their dielectric response, refractive index, and UV absorption are high. Alkali-metal substitution enhances structural stiffness, electronic structure, optical activity, and thermoelectric efficiency.

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