標題: Ba3TM2Se9 (TM = Nb, Ta): Synthesis and Characterization of New Polyselenides
作者: Chung, Ming-Yan
Lee, Chi-Shen
應用化學系
Department of Applied Chemistry
公開日期: 6-一月-2014
摘要: New ternary polyselenides Ba3TM2Se9 (TM = Nb, Ta) were synthesized through a solid-state reaction, and their structures were characterized using single-crystal X-ray diffraction. These compounds crystallized into a new structural type with a monoclinic space group P2(1)/c. The structures were constructed from distorted, close-packed layers of (3)(infinity)[BaSe3](3.33-) that incorporated TM atoms at octahedral sites and contained [(TM5+)(2)(Se2-)(7)(Se-2(2-))] units. Diffuse reflectance spectra and electronic resistivity measurements indicated semiconducting properties and optical band gaps of 1.3 eV for Ba3Nb2Se9 and 1.6 eV for Ba3Ta2Se9. Raman spectra were used to investigate the interatomic interactions. Calculations of the electronic structure verified the semiconducting behavior and bonding interaction of short Se-Se contacts.
URI: http://dx.doi.org/10.1021/ic4013763
http://hdl.handle.net/11536/23608
ISSN: 0020-1669
DOI: 10.1021/ic4013763
期刊: INORGANIC CHEMISTRY
Volume: 53
Issue: 1
起始頁: 80
結束頁: 84
顯示於類別:期刊論文


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