New route for stabilization of 1T-WS2 and MoS2 phases

TL;DR

This paper reports a new method to stabilize the 1T phase of WS2 and MoS2 using Re doping, revealing a phase transition mechanism linked to electronic structure and impurity effects.

Contribution

It introduces a novel stabilization route for 1T phases of WS2 and MoS2 through Re doping, supported by microscopy and density-functional calculations.

Findings

Partial 2H to 1T phase transition observed in WS2 nanotubes

Re doping induces phase transition related to electronic structure

Interplay between stability of phases and impurity electro-donating ability

Abstract

The phenomenon of a partial 2H\rightarrow1T phase transition within multiwalled WS2 nanotubes under substitutional Rhenium doping is discovered by means of high-resolution transmission electron microscopy. Using density-functional calculations for the related MoS2 compound we consider a possible origin of this phase transition, which was known formerly only for WS2 and MoS2 intercalated by alkali metals. An interplay between the stability of layered or nanotubular forms of 2H and 1T allotropes is found to be intimately related with their electronic structures and electro-donating ability of an impurity.