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In this work we have observed a remarkable improvement in the thermoelectric (TE) performance of In6- xSn xSe7 ( ZT = ∼0.28 at x = 0.1, 833 K) compared to that of pristine In6Se7 ( ZT = 0.015 at 640 K). This improvement is mainly attributed to the creation of active donor defects SnIn3+ as Sn(4+) is energetically favorable to In+ sites. Although Sn (2+), which generates a defect SnIn− as an acceptor when it is incorporated into the In3+ sites, has a negative effect on the transport properties, the counter effect from Sn(4+) and Sn(2+) suggests that In6Se7-based alloys are prospectively good thermoelectric candidates if their chemical compositions are well optimized. [ABSTRACT FROM AUTHOR]

We present two series of Cu2Ga4Te7-based compounds with Zn substituting for Cu (Cu-poor) and Ga (Ga-poor), and have observed enhanced thermoelectric performance. Generally, the Seebeck coefficient ( α) and lattice thermal conductivity ( κL) increase and electrical conductivity ( σ) decreases with the Zn content increasing. The variation in electrical properties might be mainly due to the formation of antisite defects ( [ABSTRACT FROM AUTHOR]

Here, we present the manipulation of the crystal structure defects: an alternative route to reduce the lattice thermal conductivity (κL) on an atomic scale and improve the thermoelectric performance of CuGaTe2. This semiconductor with defects, represented by anion position displacement (u) and tetragonal deformation (η), generally gives low κL values when u and η distinctly deviate from 0.25 and 1 in the ideal zinc-blende structure, respectively. However, this semiconductor will show high Seebeck coefficients and low electrical conductivities when u and η are close to 0.25 and 1, respectively, due to the electrical inactivity caused by an attractive interaction between donor-acceptor defect pairs (GaCu2+ + 2VCu-). [ABSTRACT FROM AUTHOR]