Structural and thermodynamic properties of quasi-2D Mo(1–x)W x (S, Se, Te)2 monolayer alloys: a statistical first principle study
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DOI: 10.1088/1361-6528/acc406
Abstract: In this work, we report an ab initio study of the structural and thermodynamic properties of two-dimensional transition-metal dichalcogenides (2D-TMDC) alloys, Mo(1–x)W x (S, Se, Te)2, using the cluster expansion framework to compute the Helmholtz… read more here.
Keywords: monolayer alloys; composition; thermodynamic properties; temperature ... See more keywords