W₄PCl₁₁monolayer: an unexplored 2D material with moderate direct bandgap and strong visible-light absorption for highly efficient solar cells

Abstract

The discovery of novel two-dimensional (2D) materials with excellent electronic and optoelectronic properties have attracted much scientific attention. Based on the first-principles calculations, we predict an unexplored 2D W4PCl11 monolayer,...

Ferromagnetic and half-metallic phase transition by doping in a one-dimensional narrow-bandgap W6PCl17 semiconductor

“…45 In addition, another cluster compound W 4 PCl 11 with vdW layered structure was also synthesized experimentally by the same method, and the corresponding 2D monolayer geometry was verified to be the donor material of excitonic solar cells in our previous work. 45,46 Each singlechain W 6 PCl 17 is a hexanuclear tungsten cluster structure, having six short W-W contacts. There are basically two kinds of coordination environment for W atoms in the W 6 PCl 17 structure, forming three types of equivalent W atoms, such as W 1/2 , W 3/4 , and W 5/6 , as labeled in Fig.…”

Highly-efficient heterojunction solar cells based on 2D Janus transition-metal nitride halide (TNH) monolayers with ultrahigh carrier mobility

“…18 Additionally, the W 4 PCl 11 /Bi 2 WO 6 heterostructure exhibits strong visible-light absorption and remarkable carrier mobility, with Qiao et al reporting a maximum PCE of 21.64% for this structure. 19 Moreover, the P 4 O 2 /BP system has been identified as a potential device for photocatalytic water-splitting, with an ultrahigh solar-to-hydrogen (STH) efficiency of up to 22.77%. 20 It is well-known that type-II heterostructures can serve as PV materials with excellent properties.…”