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@ARTICLE{Zhou:867957,
author = {Zhou, Chongjian and Yu, Yuan and Lee, Yong Kyu and
Cojocaru-Mirédin, Oana and Yoo, Byeongjun and Cho, Sung-Pyo
and Im, Jino and Wuttig, Matthias and Hyeon, Taeghwan and
Chung, In},
title = {{H}igh-{P}erformance n-{T}ype {P}b{S}e–{C}u 2 {S}e
{T}hermoelectrics through {C}onduction {B}and {E}ngineering
and {P}honon {S}oftening},
journal = {Journal of the American Chemical Society},
volume = {140},
number = {45},
issn = {1520-5126},
address = {Washington, DC},
publisher = {American Chemical Society},
reportid = {FZJ-2019-06550},
pages = {15535 - 15545},
year = {2018},
abstract = {From a structural and economic perspective, tellurium-free
PbSe can be an attractive alternative to its more expensive
isostructural analogue of PbTe for intermediate temperature
power generation. Here we report that
$PbSe0.998Br0.002-2\%Cu2Se$ exhibits record high peak ZT 1.8
at 723 K and average ZT 1.1 between 300 and 823 K to date
for all previously reported n- and p-type PbSe-based
materials as well as tellurium-free n-type polycrystalline
materials. These even rival the highest reported values for
n-type PbTe-based materials. Cu2Se doping not only enhance
charge transport properties but also depress thermal
conductivity of n-type PbSe. It flattens the edge of the
conduction band of PbSe, increases the effective mass of
charge carriers, and enlarges the energy band gap, which
collectively improve the Seebeck coefficient markedly. This
is the first example of manipulating the electronic
conduction band to enhance the thermoelectric properties of
n-type PbSe. Concurrently, Cu2Se increases the carrier
concentration with nearly no loss in carrier mobility, even
increasing the electrical conductivity above ∼423 K. The
resulting power factor is ultrahigh, reaching ∼21–26 μW
cm–1 K–2 over a wide range of temperature from ∼423 to
723 K. Cu2Se doping substantially reduces the lattice
thermal conductivity to ∼0.4 W m–1 K–1 at 773 K,
approaching its theoretical amorphous limit. According to
first-principles calculations, the achieved ultralow value
can be attributed to remarkable acoustic phonon softening at
the low-frequency region.},
cin = {PGI-10},
ddc = {540},
cid = {I:(DE-Juel1)PGI-10-20170113},
pnm = {521 - Controlling Electron Charge-Based Phenomena
(POF3-521)},
pid = {G:(DE-HGF)POF3-521},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:30343568},
UT = {WOS:000451100600051},
doi = {10.1021/jacs.8b10448},
url = {https://juser.fz-juelich.de/record/867957},
}