First principles study of strain effects on prospective 2D photocatalysts Sn2Se2X4 (X = P, As) with ultra-high charge carrier mobility

Ab initio calculations were employed to investigate the properties of Sn2Se2P4 and Sn2Se2As4, which are new semiconductors formed based on the 2D SnP3 structure. A comprehensive analysis was conducted to examine the structural characteristics and stability of both compounds. It was observed that bot...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2024-01, Vol.26 (5), p.4437-4446
Hauptverfasser: Trung, Pham D, Tong, Hien D
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Sprache:eng
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