Detailed Atomic Reconstruction of Extended Line Defects in Monolayer MoS2

• Published in: ACS nano Vol. 10; no. 5; pp. 5419 - 5430
• Main Authors: Wang, Shanshan, Lee, Gun-Do, Lee, Sungwoo, Yoon, Euijoon, Warner, Jamie H
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 24.05.2016
• Subjects: transition metal dichalcogenides; aberration-corrected TEM; MoS2; defects

We study the detailed bond reconstructions that occur in S vacancies within monolayer MoS2 using a combination of aberration-corrected transmission electron microscopy, density functional theory (DFT), and multislice image simulations. Removal of a single S atom causes little perturbation to the sur...