Figure 1

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The optimization of thermoelectric performance for Cu2SnSe3. (a) Crystal structural transition from monoclinic to cubic due to Cd doping and the local tetrahedral distortion induced by Ag alloying. (b) Schematic diagram illustrating the simultaneous enhancement of carrier mobility and density-of-states effective mass by reducing the deformation potential (ξ) and promoting band convergence (Γ1V and Γ2V). (c) Schematic diagram illustrating the decrease in sound velocity (Vave) due to Ag off-centered behavior. (d) Comparison of carrier concentration (p), carrier mobility (μ), and effective mass (m*) between pristine Cu2SnSe3 and Cu2Sn0.9Cd0.1Se3. (e) Comparison of average sound velocity, Debye temperature (θD) and lattice thermal conductivity (κlat) between the Cu2Sn0.9Cd0.1Se3 and Cu1.85Ag0.15Sn0.9Cd0.1Se3 compound. (f) Improvement of the maximum ZT value for Cu2SnSe3 through Cd doping and Ag alloying.

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