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 Tools annual

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 monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

Monolayer transition metal dichalcogenides are novel, gapped two-dimensionalmaterials. Toward device applications, we consider MoS$_2$ layers ondielectrics, in particular in this work, the effect of vacancies on theelectronic structure. In density-functional based simulations, we consider theeffects of near-interface O vacancies in the oxide slab, and Mo or S vacanciesin the MoS$_2$ layer. Band structures and atom-projected densities of statesfor each system and with differing oxide terminations were calculated, as wellas those for the defect-free MoS$_2$-dielectrics system and for isolateddielectric layers for reference. Among our results, we find that with Ovacancies, both the Hf-terminated HfO$_2$-MoS$_2$ system, and the O-terminatedand H-passivated Al$_2$O$_3$-MoS$_2$ systems appear metallic due to doping ofthe oxide slab followed by electron transfer into the MoS$_2$, in manneranalogous to modulation doping. The n-type doping of monolayer MoS$_2$ byhigh-k oxides with oxygen vacancies then is experimentally demonstrated byelectrically and spectroscopically characterizing back-gated monolayer MoS$_2$field effect transistors encapsulated by oxygen deficient alumina and hafnia.

Theoretical and experimental investigation of vacancy-based doping of monolayer MoS$_2$ on oxide