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Using first-principles calculations, the geometry, electronic structure, optical and photocatalytic performance of blueP and XYO (X = Ti, Zr, Hf; Y = S, Se) monolayers and their corresponding van der… Click to show full abstract
Using first-principles calculations, the geometry, electronic structure, optical and photocatalytic performance of blueP and XYO (X = Ti, Zr, Hf; Y = S, Se) monolayers and their corresponding van der Waal heterostructures in three possible stacking patterns, are investigated.
Keywords:
effects van;
xyo monolayers;
van der;
stacking effects
Journal Title: RSC Advances
Year Published: 2021
Link to full text (if available)
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Journal Title: RSC Advances
Year Published: 2021
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!