Two-dimensional XMoSiP2/BP (X= S, Se) Heterostructures as Efficient Photocatalysts for Overall Water Splitting

In this article, we investigate the structural, electronic and photocatalytic properties of XMoSiP2/BP (X= S, Se) heterojunctions using density functional theory. The stability of these structures is verified by phonon scattering and formation energy. The potential distribution calculated for differ...

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Bibliographic Details
Main Authors: Somayeh Gholami Rudi, Nayereh Ghobadi, Samaneh Soleimani-Amiri
Format: Article
Language:fas
Published: Semnan University 2024-10-01
Series:مجله مدل سازی در مهندسی
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Online Access:https://modelling.semnan.ac.ir/article_8506_378a0bf072b6d3602b4e0a7b6da715bf.pdf
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