期刊
JOURNAL OF SOLID STATE CHEMISTRY
卷 273, 期 -, 页码 112-116出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2019.02.034
关键词
Alkali metal borates; Structural analysis; X-ray diffraction; UV-Vis-NIR spectra; Theoretical calculations
资金
- West Light Foundation of the Chinese Academy of Sciences [2016-YJRC-2]
- National Natural Science Foundation of China [61835014, U1703127]
- Science and Technology Project of Urumqi [G161020001]
- Key Research Project of Frontier Science of CAS [QYZDB-SSW-JSC049]
Four new deep ultraviolet (DUV) borates Li7Na2KRb2B1O24, Li7.35Na2.36K1.50Cs0.78B12O24, Li6.97Na2.63K1.24Cs1.15B12O24, and Li7.27Na2.67Rb2.06B12O24 have been produced by high temperature solution method in open air. The structural analysis suggests that they all crystallize in the same trigonal space group R (3) over bar (No. 148), and possess the identical isolated B12O24 groups. Structural comparison among alkali-metal borates with BnO2n n in their chemical formulas have been discussed. In addition, infrared spectra were used to verify their structural validity. Furthermore, the UV-Vis-NIR diffuse reflectance spectra reveal that they exhibit short cutoff edges below 180 nm (6.88 eV). The first-principles theoretical studies carried out to increase the understanding of electronic structure and linear optical property.
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