Thermoelectric materials
are of imperative need on account of the
worldwide energy crisis. However, their efficiency is limited by the
interplay of high electrical and lower thermal conductivities, that
is, the figure of merit (ZT). Owing to their unique crystal structures,
Cu–In–Te-based chalcogenides are suitable for both and
thus have attracted much attention recently as potential thermoelectrics.
Here we explore a newly developed Cu–In–Te derivative
compound Cu3.52In4.16Te8. With a
proper adjustment of Cu2Te doping, this material shows
an ultralow lattice thermal conductivity (κL) (0.3
WK–1m–1) and, consequently, a
figure of merit (ZT) as high as 1.65(±0.15) at 815 K: the highest
value reported for p-type Cu–In–Te to date. The reduction
in κL is directly related to the alteration of local
symmetry around the interstitial Te, resulting in an effectively optimized
phonon transport through localized “rattling” of the
same. Although the Hall carrier concentration reduces upon Cu2Te addition due to the unpinning of the Fermi level (E
Fermi) toward the conduction band minimum, the
power factor remains stable. The knowledge depicted here not only
demonstrates the potential of Cu3.52In4.16Te8-based alloys as a promising TE, but also provides guidelines
for developing further high-performance thermoelectric materials by
enhancing the electronic conductivity.