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

Van der Waals heterostructures have recently garnered interest forapplication in high-performance photovoltaic materials. Consequently,understanding the basic electronic characteristics of these heterostructures isimportant for their utilisation in optoelectronic devices. The electronicstructures and bond relaxation of two-dimensional (2D) Sb/transition metaldisulfides (TMDs, MoSe2, and MoTe2) van der Waals heterostructures weresystematically studied using the bond-charge (BC) correlation and hybriddensity functional theory. We found that the Sb/MoSe2 and Sb/MoTe2heterostructures had indirect band gaps of 0.701 and 0.808 eV, respectively;further, these heterostructures effectively modulated the band gaps of MoSe2(1.463 eV) and MoTe2 (1.173 eV). The BC correlation revealed four bonding andelectronic contributions (electron-holes, antibonding, nonbonding, and bondingstates) of the heterostructures. Our results provide an in-depth understandingof the Sb/TMD van der Waals heterojunction, which should be utilised to design2D metal/semiconductor-based devices.

Bond Relaxation and Electronic Properties of Two-Dimensional Sb/MoSe2 and Sb/MoTe2 Van der Waals Heterostructures