Lone-Pair-Like Interaction and Bonding Inhomogeneity Induce Ultralow Lattice Thermal Conductivity in Filled ß-Manganese-Type Phases.
Chem Mater
; 34(14): 6389-6401, 2022 Jul 26.
Article
em En
| MEDLINE
| ID: mdl-35937497
ABSTRACT
Finding a way to interlink heat transport with the crystal structure and order/disorder phenomena is crucial for designing materials with ultralow lattice thermal conductivity. Here, we revisit the crystal structure and explore the thermoelectric properties of several compounds from the family of the filled ß-Mn-type phases M 2/n n+Ga6Te10 (M = Pb, Sn, Ca, Na, Na + Ag). The strongly disturbed thermal transport observed in the investigated materials originates from a three-dimensional Te-Ga network with lone-pair-like interactions, which results in large variations of the Ga-Te and M-Te interatomic distances and substantial anharmonic effects. In the particular case of NaAgGa6Te10, the additional presence of different cations leads to bonding inhomogeneity and strong structural disorder, resulting in a dramatically low lattice thermal conductivity (â¼0.25 Wm-1 K-1 at 298 K), being the lowest among the reported ß-Mn-type phases. This study offers a way to develop materials with ultralow lattice thermal conductivity by considering bonding inhomogeneity and lone-pair-like interactions.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Chem Mater
Ano de publicação:
2022
Tipo de documento:
Article
País de afiliação:
Polônia