J. Mater. Sci. Technol. ›› 2020, Vol. 50: 92-102.DOI: 10.1016/j.jmst.2020.01.045
• Research Article • Previous Articles Next Articles
Jin Baia, Xiao Chena, Emilia Olssonb, Huimin Wua, Shiquan Wanga, Qiong Caib,*(), Chuanqi Fenga,*()
Received:
2019-09-24
Revised:
2020-01-06
Accepted:
2020-01-08
Published:
2020-08-01
Online:
2020-08-10
Contact:
Qiong Cai,Chuanqi Feng
Jin Bai, Xiao Chen, Emilia Olsson, Huimin Wu, Shiquan Wang, Qiong Cai, Chuanqi Feng. Synthesis of Bi2S3/carbon nanocomposites as anode materials for lithium-ion batteries[J]. J. Mater. Sci. Technol., 2020, 50: 92-102.
Fig. 1. (a) XRD patterns of Bi2S3, Bi2S3@C and Bi2S3@NC, (b) Raman spectra of Bi2S3, Bi2S3@C, and Bi2S3@NC, (c) TGA curves of Bi2S3, Bi2S3@C, and Bi2S3@NC.
Fig. 6. Electrochemical Li storage: (a) CV curves of Bi2S3@NC; (b) Discharge/charge voltage profiles Bi2S3@NC; (c) Cycling performance of Bi2S3, Bi2S3@C, and Bi2S3@NC;(d) Rate performance of Bi2S3, Bi2S3@C, and Bi2S3@NC.
Fig. 7. Li storage kinetics: (a) Impedance spectra of Bi2S3, Bi2S3@C, and Bi2S3@NC; (b) Linear fitting of Warburg impedance of Bi2S3, Bi2S3@C and Bi2S3@NC.
a (?) | b (?) | c (?) | α=β=γ (°) | Bi-S (?) | |
---|---|---|---|---|---|
Calculated | 11.14 | 3.98 | 10.97 | 90 | 2.64, 2.71, 2.74, 2.76, 2.93, 2.96, 3.23 |
Experimental | 11.27 | 3.97 | 11.13 | 90 | 2.59, 2.64, 2.69, 2.74, 2.98, 3.03, 3.32 |
Table 1 Calculated and experimental62 structural parameters for orthorhombic Bi2S3.
a (?) | b (?) | c (?) | α=β=γ (°) | Bi-S (?) | |
---|---|---|---|---|---|
Calculated | 11.14 | 3.98 | 10.97 | 90 | 2.64, 2.71, 2.74, 2.76, 2.93, 2.96, 3.23 |
Experimental | 11.27 | 3.97 | 11.13 | 90 | 2.59, 2.64, 2.69, 2.74, 2.98, 3.03, 3.32 |
Fig. 8. (a) Ball and stick model of the optimized orthorhombic Bi2S3 1?×?3×1 supercell, and its (b) projected density of states. Purple spheres are Bi, and yellow S.
Fig. 9. Graphics showing the Li-centered polyhedral (in green) with lithium at (a) 5-coordinated, and (b) 4-coordinated site, together with their respective charge density difference (Δρ) plots in (c) and (d). Ball-and-stick model showing the position of a (e) 5-coordinated, and (f) 4-coordinated Li site respectively in the interlayer region. Purple spheres are Bi, S is yellow, and Li is green. Yellow Δρ iso-surface shows an increase of spin density, whereas blue Δρ iso-surface represents a decrease or depletion of spin density upon Li insertion. Iso- surface value is set at 0.2 e Bohr-3.
Fig. 10. (a) Energy diagram of the lithium migrating between two 4-coordinated Li interstitial sites (labelled 0 and 12) via a 5-coordinated lithium interstitial site (labelled 6). The different lithium environments are provided for ease of visualization at the start (0), transition state (6), and end site (12) in a ball-and-stick model, where green is Li and yellow S. (b) Lithium migration path in Bi2S3, with green spheres representing 4-coordinated lithium, and orange sphere the 5-coordinated lithium. Numbering corresponds to (a).
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