Cataloguing MoSi<sub>2</sub>N<sub>4</sub> and WSi<sub>2</sub>N<sub>4</sub> van der Waals Heterostructures: An Exceptional Material Platform for Excitonic Solar Cell Applications
نویسندگان
چکیده
2D materials van der Waals heterostructures (vdWHs) provide a revolutionary route toward high-performance solar energy conversion devices beyond the conventional silicon-based pn junction cells. Despite tremendous research progress accomplished in recent years, searches of vdWHs with exceptional excitonic cell efficiency and optical properties remain an open theoretical experimental quest. Here, this study shows that vdWH family composed MoSi2N4 WSi2N4 monolayers provides compelling material platform for developing ultrathin cells photonics devices. Using first-principle calculations, 51 types WSi2N4-based [(Mo,W)Si2N4] various metallic, semimetallic, semiconducting, insulating, topological are constructed classified. Intriguingly, MoSi2N4/(InSe, WSe2) identified as Type II power reaching well over 20%, which competitive to state-of-the-art silicon The (Mo,W)Si2N4 exhibits strong absorption both visible UV regimes. Exceedingly large peak absorptions 40%, approaching maximum limit freestanding material, can be achieved (Mo,W)Si2N4/α2-(Mo,W)Ge2P4 vdWHs. findings unravel enormous potential designing ultimately compact device technology.
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ژورنال
عنوان ژورنال: Advanced Materials Interfaces
سال: 2022
ISSN: ['2196-7350']
DOI: https://doi.org/10.1002/admi.202201856