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Two-dimensional blue phosphorene-BAs vdW heterostructure with optical and photocatalytic properties: a first-principles study
Constructing van der Waals (vdW) heterostructures is an exciting method for tuning the electronic and optical properties and the photocatalytic performances of two-dimensional materials. In this work, we investigated the electronic, optical and photocatalytic properties of a blue phosphorene-BAs (Bl...
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Published in: | RSC advances 2021-04, Vol.11 (21), p.1325-1329 |
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Main Authors: | , , , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | Constructing van der Waals (vdW) heterostructures is an exciting method for tuning the electronic and optical properties and the photocatalytic performances of two-dimensional materials. In this work, we investigated the electronic, optical and photocatalytic properties of a blue phosphorene-BAs (BlueP-BAs) vdW heterostructure using first-principles calculations. We found that the most energetically favorable stacking pattern of the BAs-BlueP vdW heterostructure possesses a direct band gap with type-I band alignment. The absorption spectrum of the BAs-BlueP vdW heterostructure showed that the lower energy transitions are dominated by excitons. Furthermore, the photocatalytic performance of the BAs-BlueP vdW heterostructure makes it suitable for water splitting at pH = 0. Our findings demonstrated that the BlueP-BAs heterostructure is a good candidate for optoelectronic and photocatalytic devices.
In this work, we investigated the electronic, optical and photocatalytic properties of a blue phosphorene-BAs (BlueP-BAs) vdW heterostructure using first-principles calculations. |
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ISSN: | 2046-2069 2046-2069 |
DOI: | 10.1039/d1ra00004g |