High Anisotropic Optoelectronics in Monolayer Binary M8X12 (M = Mo, W; X = S, Se, Te).

Abstract

Exploring high performance and excellent ambient stability in two-dimensional (2D) monolayer photoelectric materials is motivated by not only practical applications but also scientific interest. Here, a new 2D monolayer W8Se12 structure is synthesized via in situ electron-beam irradiation on 2D WSe2. Moreover, we systematically studied the photoelectric properties of the class of monolayer M8X12 (M = Mo, W; X = S, Se, and Te) materials by first principles. The results indicated that Mo8S12, Mo8Se12, W8S12, and W8Se12 monolayers possess desirable direct band gaps and remarkable anisotropic optical absorption in visible light, while Mo8Te12 and W8Te12 monolayers are metals. Impressively, the monolayer W8Se12 can result in a direct-indirect-metal transition under uniaxial strain. In addition, they show high anisotropic carrier mobilities (up to 104 cm2 V-1 s-1), significantly over those of transition-metal dichalcogenides. These new binary monolayer M8X12 structures can effectively broaden the 2D material family and may provide four potential candidates in photoelectric applications.