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

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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.

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Authors and Affiliations

  1. Faculty of Liberal Education, Chonbuk National University, Jeonju, 54896, Korea

    Wang Ro Lee

  2. Department of Chemistry, Pohang University of Science and Technology, Pohang, 37673, Korea

    Changhoon Lee

  3. Divisions of Advanced Nuclear Engineering, Pohang University of Science and Technology, Pohang, 37673, Korea

    Changhoon Lee

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  1. Wang Ro Lee
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  2. Changhoon Lee
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Correspondence to Changhoon Lee.

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Lee, W.R., Lee, C. Enhancing the Thermoelectric Properties of Layered Bi2O2Q (Q = S, Se): the Effect of Mixed Chalcogen Net. J. Korean Phys. Soc. 73, 1684–1689 (2018). https://doi.org/10.3938/jkps.73.1684

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