Interaction of Water and Oxygen Molecules with Phosphorene: An Ab Initio Study

Phosphorene, the 2D form of black phosphorus, has recently attracted interest for optoelectronic and tribological applications. However, its promising properties are affected by the strong tendency of the layers to oxidize in ambient conditions. A significant effort has been made to identify the rol...

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Bibliographic Details
Main Authors: Francesca Benini, Nicolò Bassoli, Paolo Restuccia, Mauro Ferrario, Maria Clelia Righi
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/28/8/3570