TY - JOUR
T1 - Enhanced Thermoelectric Performance of Bulk Bismuth Selenide
T2 - Synergistic Effect of Indium and Antimony Co-doping
AU - Musah, Jamal Deen
AU - Linlin, Liu
AU - Guo, Chen
AU - Novitskii, Andrei
AU - Ilyas, Abdul Mojeed O.
AU - Serhiienko, Illia
AU - Khovaylo, Vladimir
AU - Roy, Vellaisamy A.L.
AU - Lawrence Wu, Chi Man
N1 - Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/3/28
Y1 - 2022/3/28
N2 - The thermoelectric (TE) performance of pristine Bi2Se3is inferior to that of Bi2Te3. Therefore, the study on Bi2Se3has faced a decline. The lower performance is due to the low power factor and high thermal conductivity. In recent years, single aliovalent doping has been adopted to improve the TE performance of Bi2Se3. Here, we adopt an isovalent co-doping approach using indium and antimony to create a manifold enhancement in the TE performance of Bi2Se3via the creation of neutral impurities and deep defect states (DDSs). A high figure of merit (ZT = 0.47) is obtained at 473 K for a doping concentration of 0.1 at. %. The TE performance obtained for Bi2-xInxSb2x/3Se3, x = 0.1 at. %, is comparable to that obtained in several reports for pristine Bi2Te3. Our density functional theory calculation reveals an underlying DDS located at ∼15 eV below the Fermi level. This leads to enhanced electronic properties via density of states optimization induced by the co-doping. The isovalent doping is expected to create neutral impurities, which causes less scattering to conduction electrons while absorbing phonon vibration, thus improving the TE performance.
AB - The thermoelectric (TE) performance of pristine Bi2Se3is inferior to that of Bi2Te3. Therefore, the study on Bi2Se3has faced a decline. The lower performance is due to the low power factor and high thermal conductivity. In recent years, single aliovalent doping has been adopted to improve the TE performance of Bi2Se3. Here, we adopt an isovalent co-doping approach using indium and antimony to create a manifold enhancement in the TE performance of Bi2Se3via the creation of neutral impurities and deep defect states (DDSs). A high figure of merit (ZT = 0.47) is obtained at 473 K for a doping concentration of 0.1 at. %. The TE performance obtained for Bi2-xInxSb2x/3Se3, x = 0.1 at. %, is comparable to that obtained in several reports for pristine Bi2Te3. Our density functional theory calculation reveals an underlying DDS located at ∼15 eV below the Fermi level. This leads to enhanced electronic properties via density of states optimization induced by the co-doping. The isovalent doping is expected to create neutral impurities, which causes less scattering to conduction electrons while absorbing phonon vibration, thus improving the TE performance.
KW - Co-doping
KW - bismuth selenide
KW - isovalent doping
KW - metal chalcogenides
KW - power factor (PF)
KW - thermoelectric (TE) enhancement
UR - http://www.scopus.com/inward/record.url?scp=85127398827&partnerID=8YFLogxK
U2 - 10.1021/acssuschemeng.1c07256
DO - 10.1021/acssuschemeng.1c07256
M3 - Article
AN - SCOPUS:85127398827
VL - 10
SP - 3862
EP - 3871
JO - ACS Sustainable Chemistry and Engineering
JF - ACS Sustainable Chemistry and Engineering
IS - 12
ER -