https://www.selleckchem.com/pr....oducts/pf-04957325.h
Alloying is a successful strategy for tuning the phases and properties of two-dimensional (2D) transition metal dichalcogenides (TMDCs). To accelerate the synthesis of TMDC alloys, we present a method for generating temperature-composition equilibrium phase diagrams by combining first-principles total-energy calculations with thermodynamic solution models. This method is applied to three representative 2D TMDC alloys an isostructural alloy, MoS2(1-x)Te2x , and two heterostructural alloys, Mo1-x W x Te2 and WS2(1-x)Te2x . Using densi
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