2021
DOI: 10.1016/j.nanoen.2021.106171
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Boosting the thermoelectric performance of n-type Bi2S3 by hierarchical structure manipulation and carrier density optimization

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Cited by 40 publications
(23 citation statements)
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“…The calculated band gap of the pristine material is ∼1.25 eV, which is in good agreement with the reported experimental values of ∼1.3 eV. 35 , 49 , 50 Both spin-up and spin-down states showed reduced values of ∼0.6 and ∼0.92 eV, respectively. The reduction in the band gap for the spin-up state was due to the presence of an additional impurity band.…”
Section: Resultssupporting
confidence: 89%
“…The calculated band gap of the pristine material is ∼1.25 eV, which is in good agreement with the reported experimental values of ∼1.3 eV. 35 , 49 , 50 Both spin-up and spin-down states showed reduced values of ∼0.6 and ∼0.92 eV, respectively. The reduction in the band gap for the spin-up state was due to the presence of an additional impurity band.…”
Section: Resultssupporting
confidence: 89%
“…Due to the effectively optimized PF by Pt 1 single atoms and low κ tot , a maximum zT value of ∼0.75 is obtained at 823 K for Bi 2 S 3 – 0.5 wt % Pt 1 . This zT is also among the best state-of-the-art Bi 2 S 3 materials (Figure b) and other n-type environmentally friendly metal sulfides. ,, The average zT (eq S6) of our Bi 2 S 3 –0.5 wt % Pt 1 sample is 0.39 from 323 to 823 K. The calculated efficiency η (eq S7) is 6.9%. All the results promise Bi 2 S 3 –Pt 1 as a type of high-performance thermoelectric material.…”
mentioning
confidence: 66%
“…Halogens are well-known n-type dopants for the Bi 2 X 3 family (X = Te, Se, and S), with defects in Cl x , Br x , or I x providing free electrons to increase carrier concentrations [ 31 , 32 ]. Aside from Br doping, the effect of single Cl or I doping on TE transport properties of Bi 2 SeS 2 has not been reported.…”
Section: Introductionmentioning
confidence: 99%