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 Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

By using first-principles calculation, the interaction of O2 and H2Omolecules with the pristine and the defective InSe monolayers is studied. It ispredicted that the single Se and In vacancies exhibit significantly enhancedchemical activity toward the adsorbates compared with the perfect InSe latticesite, and the Se vacancies have a much higher chemical activity than the Invacancies. H2O molecule should be only physisorbed on the various InSemonolayers at ambient conditions, according to the calculated energies. Thedoping of the various InSe monolayers is discussed by the physisorbed H2O. Thevacancies show a much higher chemical activity toward O2 than H2O. Although O2molecules are still physisorbed on the pristine InSe monolayer, they will bechemisorbed on the defective InSe monolayers. Especially, our calculatedenergies suggest that the surface oxidation of the 2D InSe semiconductor shouldbe dominated by the defects that expose under-coordinated host atoms,especially In atoms. Our theoretical results can help better understanding thedoping and the oxidation of the 2D InSe semiconductor under ambient conditions.

Theoretical insight into the interaction of O2 and H2O molecules with the perfect and the defective InSe monolayers