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/

Zendy Open

Presents the pdf analysis as premium feature

PDF Analysis

Insights

Presents the summarisation as premium feature

Summarisation

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

In a latest experimental advance, graphene-like and insulating BeO monolayerwas successfully grown over silver surface by molecular beam epitaxy (ACS Nano15(2021), 2497). Inspired by this accomplishment, in this work we conductfirst-principles based simulations to explore the electronic, mechanicalproperties and thermal conductivity of graphene-like BeO, MgO and CaOmonolayers. The considered nanosheets are found to show desirable thermal anddynamical stability. BeO monolayer is found to show remarkably high elasticmodulus and tensile strength of 408 and 53.3 GPa, respectively. The electronicband gap of BeO, MgO and CaO monolayers are predicted to be 6.72, 4.79, and3.80 eV, respectively, using the HSE06 functional. On the basis of iterativesolutions of the Boltzmann transport equation, the room temperature latticethermal conductivity of BeO, MgO and CaO monolayers are predicted to be 385, 64and 15 W/mK, respectively. Our results reveal substantial decline in theelectronic band gap, mechanical strength and thermal conductivity by increasingthe weight of metal atoms. This work highlights outstandingly high thermalconductivity, carrier mobility and mechanical strength of insulating BeOnanosheets and suggest them as promising candidates to design strong andinsulating components with high thermal conductivities.

High tensile strength and thermal conductivity in BeO monolayer: A first-principles study