DFT and Boltzmann transport calculations predict high Seebeck coefficients (up to 2685 uV/K) and ZT up to 0.87 for 2D T'-RuS2 and T'-RuSe2 at 1200 K.
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Enhanced thermopower in two-dimensional ruthenium dichalcogenides $RuX_2$ (X = S, Se): a first-principles study
DFT and Boltzmann transport calculations predict high Seebeck coefficients (up to 2685 uV/K) and ZT up to 0.87 for 2D T'-RuS2 and T'-RuSe2 at 1200 K.