Thermoelectric Properties of CrS2–xTex (x: 0, 1, 2) Dichalcogenides Monolayers: First-Principles Study
Farva Tufail,
Abdull Farooq,
Altaf Ur Rahman
et al.
Abstract:In this study, we conducted first-principles calculations
interfaced
with Boltzmann transport theory to examine the carrier-dependent thermoelectric
properties of CrS2–x
Te
x
(x: 0, 1, 2) dichalcogenides monolayers.
We conducted a systematic analysis of the structural, phonon band
structures, elastic properties, electronic structures, and thermoelectric
properties, of electron (e) and hole (h) doped CrS2–x
Te
x
(x: 0, 1, 2) dichalcogenides monolayers. The studied 2D TMDCs exhibit
structural stability, as ind… Show more
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