Enhancing the Thermoelectric Properties of Layered Bi2O2Q (Q = S, Se): the Effect of Mixed Chalcogen Net

Wang Ro Lee; Changhoon Lee

doi:10.3938/jkps.73.1684

Enhancing the Thermoelectric Properties of Layered Bi₂O₂Q (Q = S, Se): the Effect of Mixed Chalcogen Net

Wang Ro Lee
, Changhoon Lee^*

^*Corresponding author for this work

Office of Educational Innovation

Pohang University of Science and Technology

Research output: Contribution to journal › Journal article › peer-review

6 Scopus citations

Abstract

The layered semiconductors Bi₂O₂Q (Q = S, Se) consists of Bi₂O₂ layers sandwiched by Q square nets. On the basis of density functional theory calculations, we examined the thermoelectric properties of Bi₂O₂S, Bi₂O₂Se as well as hypothetical structure of Bi₂O₂(S_0.5Se_0.5) consisting of mixed chalcogen nets. The thermoelectric power factor of Bi₂O₂S_0.5Se_0.5 is much greater than those of Bi₂O₂S and Bi₂O₂Se, suggesting that introducing mixed chalcogen net in Bi₂O₂Q is a possible way of enhancing the thermoelectric property of Bi₂O₂Q.

Original language	English
Pages (from-to)	1684-1689
Number of pages	6
Journal	Journal of the Korean Physical Society
Volume	73
Issue number	11
DOIs	https://doi.org/10.3938/jkps.73.1684
State	Published - 2018.12.1

Keywords

BiOS
BiOSSe
BiOSe
DFT
Thermoelectric property

Quacquarelli Symonds(QS) Subject Topics

Physics & Astronomy

Access to Document

10.3938/jkps.73.1684

Cite this

@article{0f3ba2e51c044428958695cef15ff195,

title = "Enhancing the Thermoelectric Properties of Layered Bi2O2Q (Q = S, Se): the Effect of Mixed Chalcogen Net",

abstract = "The layered semiconductors Bi2O2Q (Q = S, Se) consists of Bi2O2 layers sandwiched by Q square nets. On the basis of density functional theory calculations, we examined the thermoelectric properties of Bi2O2S, Bi2O2Se as well as hypothetical structure of Bi2O2(S0.5Se0.5) consisting of mixed chalcogen nets. The thermoelectric power factor of Bi2O2S0.5Se0.5 is much greater than those of Bi2O2S and Bi2O2Se, suggesting that introducing mixed chalcogen net in Bi2O2Q is a possible way of enhancing the thermoelectric property of Bi2O2Q.",

keywords = "BiOS, BiOSSe, BiOSe, DFT, Thermoelectric property",

author = "Lee, \{Wang Ro\} and Changhoon Lee",

note = "Publisher Copyright: {\textcopyright} 2018, The Korean Physical Society.",

year = "2018",

month = dec,

day = "1",

doi = "10.3938/jkps.73.1684",

language = "English",

volume = "73",

pages = "1684--1689",

journal = "Journal of the Korean Physical Society",

issn = "0374-4884",

number = "11",

}

TY - JOUR

T1 - Enhancing the Thermoelectric Properties of Layered Bi2O2Q (Q = S, Se)

T2 - the Effect of Mixed Chalcogen Net

AU - Lee, Wang Ro

AU - Lee, Changhoon

PY - 2018/12/1

Y1 - 2018/12/1

N2 - The layered semiconductors Bi2O2Q (Q = S, Se) consists of Bi2O2 layers sandwiched by Q square nets. On the basis of density functional theory calculations, we examined the thermoelectric properties of Bi2O2S, Bi2O2Se as well as hypothetical structure of Bi2O2(S0.5Se0.5) consisting of mixed chalcogen nets. The thermoelectric power factor of Bi2O2S0.5Se0.5 is much greater than those of Bi2O2S and Bi2O2Se, suggesting that introducing mixed chalcogen net in Bi2O2Q is a possible way of enhancing the thermoelectric property of Bi2O2Q.

AB - The layered semiconductors Bi2O2Q (Q = S, Se) consists of Bi2O2 layers sandwiched by Q square nets. On the basis of density functional theory calculations, we examined the thermoelectric properties of Bi2O2S, Bi2O2Se as well as hypothetical structure of Bi2O2(S0.5Se0.5) consisting of mixed chalcogen nets. The thermoelectric power factor of Bi2O2S0.5Se0.5 is much greater than those of Bi2O2S and Bi2O2Se, suggesting that introducing mixed chalcogen net in Bi2O2Q is a possible way of enhancing the thermoelectric property of Bi2O2Q.

KW - BiOS

KW - BiOSSe

KW - BiOSe

KW - DFT

KW - Thermoelectric property

UR - https://www.scopus.com/pages/publications/85058811187

U2 - 10.3938/jkps.73.1684

DO - 10.3938/jkps.73.1684

M3 - Journal article

AN - SCOPUS:85058811187

SN - 0374-4884

VL - 73

SP - 1684

EP - 1689

JO - Journal of the Korean Physical Society

JF - Journal of the Korean Physical Society

IS - 11

ER -