Self-passivation leads to semiconducting edges of black phosphorene
Liping Ding, Feng Ding
Abstract
bonds or (iii) forming a special P(2)-P(4) configuration with a two-coordinated P atom accommodating two lone pair electrons and one four-coordinated P atom without lone pair electrons. Highly different from the pristine edges, all these highly stable reconstructed edges are semiconducting. This study showed that the reconstruction of the edges of a 2D material, just like the surfaces of a 3D crystal, must be considered for both fundamental studies and practical applications. Besides BP, this study also sheds light on the structures and properties of the edges of many other 2D materials.
Topics & Concepts
PhosphorenePassivationCrystallographyLone pairAtom (system on chip)BondMaterials scienceDouble bondChemistryNanotechnologyBand gapOptoelectronicsMoleculePolymer chemistryLayer (electronics)FinanceEconomicsOrganic chemistryEmbedded systemComputer science2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications