Enhanced Thermoelectric Performance of Bulk Bismuth Selenide: Synergistic Effect of Indium and Antimony Co-doping

The thermoelectric (TE) performance of pristine Bi2Se3 is inferior to that Bi2Te3. Therefore, the study on has faced a decline. lower due low power factor and high thermal conductivity. In recent years, single aliovalent doping been adopted improve TE Bi2Se3. Here, we adopt an isovalent co-doping approach using indium antimony create manifold enhancement in via creation neutral impurities deep defect states (DDSs). A figure merit (ZT = 0.47) obtained at 473 K for concentration 0.1 at. %. Bi2–xInxSb2x/3Se3, x %, comparable several reports Our density functional theory calculation reveals underlying DDS located ?15 eV below Fermi level. This leads enhanced electronic properties optimization induced by co-doping. expected impurities, which causes less scattering conduction electrons while absorbing phonon vibration, thus improving performance.