Low lattice thermal conductivity and promising thermoelectric figure of merit of Zintl type TlInTe2

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F18%3A10389688" target="_blank" >RIV/00216208:11310/18:10389688 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1039/c8tc03492c" target="_blank" >https://doi.org/10.1039/c8tc03492c</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c8tc03492c" target="_blank" >10.1039/c8tc03492c</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Low lattice thermal conductivity and promising thermoelectric figure of merit of Zintl type TlInTe2

Popis výsledku v původním jazyce

Thallium compounds have appeared as a new class of advanced thermoelectric (TE) materials owing to their extremely low lattice thermal conductivity. Using a first-principles approach and Boltzmann transport theories, we investigate the electronic and phonon transport properties of a ternary thallium telluride, TlInTe2. Unlike the Bi2Te3 and PbTe used in current TE devices, a multi-valley band structure with intrinsic degeneracy is obtained for TlInTe2, which contributes to its high Seebeck coefficient and relatively high power factor. Also, because of its weak bonding stiffness and strong phonon anharmonicity, TlInTe2 has an extremely low lattice thermal conductivity of about 0.37 W m-1 K-1 at room temperature, which is almost one third of the values for Bi2Te3 and PbTe. Consequently, competitive ZT values of 1.78 and 1.84 are obtained at 300 K for p- and n-doped TlInTe2, respectively, indicating that thallium compounds are promising TE materials for practical applications.

Název v anglickém jazyce

Low lattice thermal conductivity and promising thermoelectric figure of merit of Zintl type TlInTe2

Popis výsledku anglicky

Thallium compounds have appeared as a new class of advanced thermoelectric (TE) materials owing to their extremely low lattice thermal conductivity. Using a first-principles approach and Boltzmann transport theories, we investigate the electronic and phonon transport properties of a ternary thallium telluride, TlInTe2. Unlike the Bi2Te3 and PbTe used in current TE devices, a multi-valley band structure with intrinsic degeneracy is obtained for TlInTe2, which contributes to its high Seebeck coefficient and relatively high power factor. Also, because of its weak bonding stiffness and strong phonon anharmonicity, TlInTe2 has an extremely low lattice thermal conductivity of about 0.37 W m-1 K-1 at room temperature, which is almost one third of the values for Bi2Te3 and PbTe. Consequently, competitive ZT values of 1.78 and 1.84 are obtained at 300 K for p- and n-doped TlInTe2, respectively, indicating that thallium compounds are promising TE materials for practical applications.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Materials Chemistry C

ISSN

2050-7526

e-ISSN

—

Svazek periodika

6

Číslo periodika v rámci svazku

48

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

6

Strana od-do

13269-13274

Kód UT WoS článku

000453251200019

EID výsledku v databázi Scopus

2-s2.0-85058521632