Nano-scale dislocations induced by self-vacancy engineering yielding extraordinary n-type thermoelectric Pb0.96-yInySe

Hong, Min and Chen, Zhi-Gang and Matsumura, Syo and Zou, Jin (2018) Nano-scale dislocations induced by self-vacancy engineering yielding extraordinary n-type thermoelectric Pb0.96-yInySe. Nano Energy, 50. pp. 785-793. ISSN 2211-2855


Nanostructuring has successfully enhanced thermoelectric performance for wide solid-state materials via embedding
nano-scale particles, precipitates, or dislocations into the matrix to significantly lower the thermal
conductivity. Herein, high-density dislocations are successfully introduced through engineering the off-stoichiometry
ratio of cation atoms in Pb1-xSe. As examined by electron microscopy characterizations and phonon
transport modeling studies, the existence of dense nano-scale dislocations in conjunction with grain boundaries
and point defects lead to the strong wide-frequency phonon scatterings. Consequently, lattice thermal conductivity
is significantly decreased in Pb1-xSe. Through doping In into the Pb0.96Se with an ultralow lattice
thermal conductivity, the carrier concentration is tuned to reach the optimal level, which is confirmed by our
modeling investigations. The synergistically obtained high-density of dislocations and the optimized carrier
concentration lead to an extraordinary figure-of-merit of 1.6 in n-type Pb0.96-yInySe. This study demonstrates a
natural way to induce high-density nano-scale dislocations by self-vacancy engineering, which extends the
strategy of nanostructuring to broader materials for developing high-performance thermoelectric candidates.

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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: Permanent restricted access to Published version, in accordance with the copyright policy of the publisher.
Faculty / Department / School: Current - Faculty of Health, Engineering and Sciences - No Department
Date Deposited: 12 Feb 2019 05:32
Last Modified: 14 Feb 2019 02:35
Uncontrolled Keywords: nano-scale dislocations; self-vacancy engineering; thermoelectric PbSe; wide-frequency phonon scattering; carrier concentration optimization
Fields of Research : 03 Chemical Sciences > 0302 Inorganic Chemistry > 030206 Solid State Chemistry
10 Technology > 1007 Nanotechnology > 100708 Nanomaterials
09 Engineering > 0912 Materials Engineering > 091205 Functional Materials
02 Physical Sciences > 0204 Condensed Matter Physics > 020403 Condensed Matter Modelling and Density Functional Theory
Identification Number or DOI: 10.1016/j.nanoen.2018.06.030

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