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

First-principles calculations reported here illuminate the effects of theinterfacial properties of $\alpha$-Al$_{2}$O$_{3}$ and graphene, with emphasison the structural and electronic properties. Various contact interfaces anddifferent $\alpha$-Al$_{2}$O$_{3}$ surface terminations are considered with onand slightly-off stoichiometric aluminium oxide. We show that depending onwhether aluminium or oxygen is in contact with graphene, an $sp^{3}$ structuraldeformation and spontaneous spin-polarization may occur next to the interfacecontact. Interestingly, some cases cause a $p$-type doping in the graphene bandstructure, depending on the initial $\alpha$-Al$_{2}$O$_{3}$ geometry placed ongraphene. The importance of leaving the surface dangling bonds of aluminasaturated or not is also highlighted, and we show that it might be a controlmechanism for opening a gap in graphene by the influence of the $sp^{3}$ bondbetween oxygen and carbon atoms at the interface. We discuss the potential ofutilizing this sensitivity for practical applications.

sp$^{2}$/sp$^{3}$ bonding controlling mechanism at the $\alpha$-Al$_{2}$O$_{3}|$graphene interface