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Revealing the electronic, optical and photocatalytic properties of PN-M(2)CO(2) (P = Al, Ga; M = Ti, Zr, Hf) heterostructures

Using DFT, the electronic structure, optical, and photocatalytic properties of PN (P = Ga, Al) and M(2)CO(2) (M = Ti, Zr, Hf) monolayers and their PN-M(2)CO(2) van der Waals heterostructures (vdWHs) are investigated. Optimized lattice parameters, bond length, bandgap, conduction and valence band edg...

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Detalles Bibliográficos
Autores principales:	Munawar, M., Idrees, M., Alrebdi, Tahani A., Amin, B.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9972871/ https://www.ncbi.nlm.nih.gov/pubmed/36866260 http://dx.doi.org/10.1039/d3na00017f

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