Synthesis and Characterization of New Multinary Selenides A10B18Se37 (A=Sn/Pb; B=In/Sb/Bi)

Guan Ruei Chen, Gang Lin, Kuei Bo Chen, Ming Fang Wang, Chi Shen Lee*


研究成果: Article同行評審

1 引文 斯高帕斯(Scopus)


New multinary selenides with general formula A10B18Se37 (A=Sn/Pb; B=In/Sb or Sb/Bi) were synthesized with a new structure type in the monoclinic space group C2/m (No. 12), including Sn10In7Sb11Se37, Sn10Bi18Se37, Sn8.21Pb1.79Bi18Se37, and Sn3.84Pb6.16Sb5.68Bi12.32Se37. The crystal structure is related to Proudite-Felbertalite homologous series and is made up of layered units (Formula presented.) derived from the octahedrally coordinated MSe6 with stepped layers of 16 octahedra overlapped by 8 octahedra units, and 1D ribbons (Formula presented.) with metal centers coordinated by 3 or 5 Se2− anions. Structural anisotropy leads to their layered shape and strong preferred orientation. The quinary selenide Sn3.84Pb6.16Sb5.68Bi12.32Se37 exhibits n-type semiconducting behavior and thermoelectric properties with an optimized thermoelectric figure of merit (zT) reaching ∼0.09 at 440 K. Density functional theory (DFT) calculation on a charge-balanced model with a triple supercell indicates its indirect band gap.

期刊European Journal of Inorganic Chemistry
出版狀態Published - 11 10月 2022


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