Abstract
In this work, we propose a modulation doping strategy for simultaneous achievement of low lattice thermal conductivity and high Seebeck coefficient in the Cu2GeSe3 compound. The Ag and In dual-doping can optimize the hole carrier concentration to balance electrical conductivity and Seebeck coefficient, achieving a high power factor of ∼6.4 μW cm−1 K−2 for the Cu2GeSe3 compound. The Ag point defect makes a great contribution to blocking the propagation of phonons besides the phonon-phonon Umklapp process, yielding a minimum lattice thermal conductivity of ∼0.38 W m–1 K–1. Remarkably, a maximum ZT value of ∼0.97 at 723 K is achieved for Cu1.8Ag0.2Ge0.95In0.05Se3 compound, which is the highest value for the Cu2GeSe3-based systems in the temperature range of 323–723 K.
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