Structures, stabilities, and electronic properties of defects in monolayer black phosphorus

The structures, stabilities, and electronic properties of monolayer black phosphorus (M-BP) with different kinds of defects are investigated within the frame of density-functional theory. All the possible configurations of defects in M-BP are explored, and the calculated results suggest that the sta...

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Bibliographic Details
Main Authors: Li, Xi-Bo, Guo, Pan, Cao, Teng-Fei, Liu, Hao, Lau, Woon-Ming, Liu, Li-Min
Format: Online
Language:English
Published: Nature Publishing Group 2015
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4451700/