Investigation of bismuth doping effect on electrical and thermal properties of n-type PbSnS2

被引：0

作者：

Argunov, E. V. ^{[1
]}

Kartsev, A. I. ^{[2
,3
,4
]}

Chernyshova, E. V. ^{[1
]}

Shcherbakova, K. A. ^{[1
]}

Bochkanov, F. Yu. ^{[1
]}

Kolesnikov, E. A. ^{[1
]}

Seredina, M. A. ^{[1
]}

Kuznetsov, Yu. M. ^{[5
]}

Dorokhin, M. V. ^{[5
]}

Zdoroveyshev, A. V. ^{[5
]}

Kurichenko, V. L. ^{[1
]}

Karpenkov, D. Yu. ^{[6
]}

机构：

[1] Natl Univ Sci & Technol, MISIS, Moscow 119049, Russia

[2] Russian Acad Sci, Far Eastern Branch, Comp Ctr, Khabarovsk 680000, Russia

[3] RUDN Univ, Moscow 117198, Russia

[4] HSE Univ, Moscow 101000, Russia

[5] Lobachevsky State Univ Nizhny Novgorod, Nizhnii Novgorod 603022, Russia

[6] Lomonosov Moscow State Univ, Moscow 119991, Russia

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2025年 / 202卷

关键词：

Thermoelectricity; PbSnS2; Transport properties; DFT; CONDUCTIVITY; TEALLITE;

D O I：

10.1016/j.jpcs.2025.112655

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In this work, we have studied the influence of bismuth on thermoelectric properties of Pb(1-x)BixSnS2 (0 <= x <= 0.1). It was demonstrated that the addition of bismuth significantly increases electrical conductivity from 83.5 Sm-1 to 1407 Sm-1 at 750 K. The maximum thermoelectric figure of merit zTmax = 0.55 was achieved at 750 K. Furthermore, the mechanisms underlying these improvements were described through density functional theory (DFT) calculations. Our results indicate that the increase in electrical conductivity is linked to modifications in the electronic structure. This study highlights the potential of Pb(1-x)BixSnS2 as an effective thermoelectric material and provides insights into optimizing its properties through strategic doping.

引用

页数：8

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