English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Due to the relatively low formation energies and highly mobilecharacteristics of atomic vacancies in phosphorene, understanding theirevolutions becomes crucial for its structural integrity, chemical activitiesand applications. Herein, by combining first-principles calculations andkinetic Monte Carlo simulation, we investigate the time evolution and formationof atomic vacancy clusters from isolated monovacancies (MVs), aiming to uncoverthe mechanisms of diffusion, annihilation, reaction of these atomic vacancies.We find that while isolated MVs possess a highly mobile character, they reactand form MV pairs which possess much lower mobility and high stability underambient condition. We also show that the disappearance of MVs at the edge isquite slow due to the relatively high energy barrier, and as a result, around80% of MVs remains even after two years under ambient condition. Our findingson one hand provide useful information for the structural repairing ofphosphorene through chemical functionalization of these vacancy clusters, andon the other hand, suggest that these rather stable vacancy clusters may beused as an activated catalyst.

Evolution of Intrinsic Vacancies and Prolonged Lifetime of Vacancy Clusters in Black Phosphorene