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

MoS$_2$, one of transition metal dichalcogenides (TMDs), has caused a lot ofattentions for its excellent semiconductor characteristics and potentialapplications. Here, based on the density functional theory methods, we predicta novel 2D quantum spin hall (QSH) insulator in the porous allotrope ofmonolayer MoS$_2$ (g-MoS$_2$), consisting of MoS$_2$ square and hexagon. Theg-MoS$_2$ has a nontrivial gap as large as 109 meV, comparable with previousreported 1T'-MoS$_2$ (80 meV), so-MoS$_2$ (25 meV). We demonstrate that theorigin of 2D QSH effect in g-MoS$_2$ originates from the pure d-d bandinteraction, different from conventional band inversion between s$-$p, p$-$p ord$-$p orbitals. Such new polymorph greatly enriches the TMDs family and itsstabilities are confirmed by phonon spectrum analysis. In particular, porousstructure also endows it potential application in efficient gas separation andenergy storage.

New Quantum Spin Hall Insulator in Two-dimensional MoS$_2$ with Periodically Distributed Pores