Two-dimensional Janus SbTeBr/SbSI heterostructures as multifunctional optoelectronic systems with efficient carrier separation

Abstract

The stacking of two-dimensional (2D) materials is a highly effective approach in the design of high-performance optoelectronic devices. In this study, we propose a novel Janus monolayer-based 2D/2D van der...

Two-dimensional Janus antimony chalcohalides for efficient energy conversion applications

“…38–40 These solar cells feature a type-II band alignment and are centered on the donor–acceptor mechanism between two materials that form a heterostructure. 41 Very recently, Janus monolayers were shown to possess good power conversion efficiency (PCE) in photovoltaic solar cells such as Pb 2 SSe/SnSe (20.02%), 42 Pb 2 SSe/GeSe (19.28%), 42 β-Te 2 S/α-Te 2 S (21.13%), 10 ZrICl (15.91%), 43 SbTeBr/SbSI 44 and ZrIBr (14.13%). 43…”

Multi-Doping Exploration of (Sb, Bi and Ba) by First Principles on Ordered Zn–Si–P Compounds as High-Performance Anodes for Next-Generation Li-Ion Batteries

“…23,24 First principles computations have been employed to analyse the structural and electronic responses of ZnSiP 2 in chalcopyrite structure and electronics within the (PBE) technique depends on the (DFT) as implemented by Bennacer et al 25,26 Yujun Zhang investigated the fundamental responses of the band-edge electronic states employing the (DFT) with the GGA. Liu HY et al 27 employed the first principle computations on phase transitions, band structures and electronic responses for ternary materials (ZnSiP 2 , ZnGeP 2 ) under different limits of pressure. There are reductions in the band gap of these host semiconductors when A and C site atom are replaced.…”