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January 1, 2026Journal of Materials Chemistry A

Novel Ruddlesden–Popper double anti-perovskites Mg ₄ AA′C: first-principles screening and device simulation study for high-efficiency photovoltaic absorbers

Yuqi Zhang Kai Li Siyu Zhang Yanzhao Liu Min Zhang

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Key Points

This research aims to explore new Ruddlesden–Popper double anti-perovskite materials for use in high-efficiency photovoltaic applications.
Performed first-principles screening of Mg4AA′C semiconductors
Conducted device simulations for photovoltaic performance assessment
Identified promising candidates for high efficiency in photovoltaics
Showed significant potential due to anion splitting techniques

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Implication

Novel Ruddlesden–Popper double anti-perovskites demonstrate potential for high-efficiency photovoltaics, indicating advancements in material design.

Abstract

Novel Ruddlesden–Popper double anti-perovskite Mg 4 AA′C semiconductors designed by anion splitting, showing great promise for photovoltaics.

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Cite This Study

Zhang et al. (2026) studied this question.

synapsesocial.com/papers/6a36300ddb0793dc1a537646 https://doi.org/10.1039/d6ta02207c

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