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 |