Modulation of transport properties S/Br substitution: solvothermal synthesis, crystal structure, and transport properties of BiSBr
The solvothermal synthetic exploration of the Bi-S-halogen phase space resulted in the synthesis of two bismuth sulfohalides with common structural motifs. Bi 13 S 18 I 2 was confirmed to have the previously reported composition and crystal structure. In contrast, the bromide analogue was shown to h...
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Veröffentlicht in: | Dalton transactions : an international journal of inorganic chemistry 2022-11, Vol.51 (43), p.16748-16756 |
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Zusammenfassung: | The solvothermal synthetic exploration of the Bi-S-halogen phase space resulted in the synthesis of two bismuth sulfohalides with common structural motifs. Bi
13
S
18
I
2
was confirmed to have the previously reported composition and crystal structure. In contrast, the bromide analogue was shown to have a formula of neither Bi
19
S
27
Br
3
nor Bi
13
S
18
Br
2
, in contrast to the previous reports. The composition, refined from single crystal X-ray diffraction and confirmed by elemental analysis, high-resolution powder X-ray diffraction, and total scattering, is close to Bi
13
S
17
Br
3
due to the partial S/Br substitution in the framework. Bi
13
S
18
I
2
and Bi
13
S
17
Br
3
are
n
-type semiconductors with similar optical bandgaps of ∼0.9 eV but different charge and heat transport properties. Due to the framework S/Br disorder, Bi
13
S
17
Br
3
exhibits lower thermal and electrical conductivities than the iodine-containing analogue. The high Seebeck coefficients and ultralow thermal conductivities indicate that the reported bismuth sulfohalides are promising platforms to develop novel thermoelectric materials.
The synthesis, formation mechanism, crystal structure, and transport properties of the bismuth chalcohalide Bi
13
S
17
Br
3
are reported. |
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ISSN: | 1477-9226 1477-9234 |
DOI: | 10.1039/d2dt02295h |