ArticleRSC advances2025
Novel Janus XGa-PbP (X = S, Se) monolayers: excellent photocatalysts for overall water splitting.
Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 authors.
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Abstract
The search for efficient and sustainable materials for solar-driven water splitting has intensified with the emergence of two-dimensional (2D) Janus structures. In this work, we theoretically design and explore two novel Janus monolayers, SGa-PbP and SeGa-PbP, using first-principles calculations. Our results reveal that both monolayers are dynamically, thermally, and mechanically stable, and exhibit direct band gaps (0.93 eV for SGa-PbP and 1.24 eV for SeGa-PbP) ideally suited for visible-light absorption. Impressively, these systems display strong optical absorption in the visible and ultraviolet regions, with absorption coefficients reaching 10
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