التفاصيل البيبلوغرافية
| العنوان: |
Theoretical Study of Molybdenum Separation from Molybdate Assisted by a Terahertz Laser. |
| المؤلفون: |
Ren, Haoxin, Li, Yining, Yin, Yi, Liu, Sicheng, Zhang, Jingqi, Zhang, Jingyu, Li, Peilin, Wang, Zhe, Zhang, Peng |
| المصدر: |
Molecules; Jul2024, Vol. 29 Issue 14, p3348, 9p |
| مصطلحات موضوعية: |
SODIUM molybdate, OPTOELECTRONIC devices, VIBRATIONAL spectra, DENSITY functional theory, MOLYBDENUM |
| مستخلص: |
Molybdenum (Mo) is a rare and important element extensively utilised in aerospace, radar communications, optoelectronic devices, and the military. This study proposes an environmentally friendly physical method based on photon–phonon resonance absorption for the separation of Mo from sodium molybdate (Na2MoO4). We examined the vibrational spectrum of Na2MoO4 using the CASTEP code, employing first-principles density functional theory. Through dynamic process analysis, we analysed the vibrational modes and assigned peaks corresponding to experimental infrared (IR) and Raman data. We focused on the vibrational modes associated with Mo and identified that the highest-intensity IR-active peak at 858 cm−1 corresponded to Mo–O bond asymmetric stretching. Therefore, we propose the use of a high-power terahertz laser at ~25 THz to facilitate the separation of Mo from Na2MoO4. Experimental investigations are expected in the future. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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