Journal of the Korean Physical Society

, Volume 73, Issue 11, pp 1684–1689 | Cite as

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

  • Wang Ro Lee
  • Changhoon LeeEmail author


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.


Bi2O2Bi2O2Se Bi2O2S0.5Se0.5 Thermoelectric property DFT 


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


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Copyright information

© The Korean Physical Society 2018

Authors and Affiliations

  1. 1.Faculty of Liberal EducationChonbuk National UniversityJeonjuKorea
  2. 2.Department of ChemistryPohang University of Science and TechnologyPohangKorea
  3. 3.Divisions of Advanced Nuclear EngineeringPohang University of Science and TechnologyPohangKorea

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