Coordination Structure of Si(II) Ions in Binary Melts (LiF-KF, LiF-NaF, and NaF-KF) and Ternary Melt (LiF-NaF-KF).
Inorg Chem
; 63(1): 203-210, 2024 Jan 08.
Article
em En
| MEDLINE
| ID: mdl-38115233
ABSTRACT
The formation of Si(II) by the comproportionation reaction between electrodeposited silicon and Si(IV) ions [Si(IV) + Si0 â 2Si(II)] in fluoride melts has been discussed in many previous reports on the electrochemical processing of silicon. In this study, the coordination structure of Si(II) ions in LiF-KF, LiF-NaF, NaF-KF, and LiF-NaF-KF melts was investigated by high-temperature Raman spectroscopy and quantum chemical calculation based on density functional theory. The formation of Si(II) ions was induced by mixing metallic silicon powder as the source of Si0, with the melts containing hexafluoro silicate or silicon dioxide as the source of Si(IV) ions. The simulated vibrational modes of the Si(II) species and the experimental Raman bands showed good agreement. It was found that both Si(II) and Si(IV) species were detected in either fluoride melt, demonstrating that the proposed comproportionation reaction between Si0 and Si(IV) occurred. In addition, the interaction between Si(II) and F-, O2-, Li+, Na+, and K+ ions significantly changed depending on the composition of fluoride melts. The coordination structure of the Si(II) ions reported in this study will provide clues for controlling the electrodeposition process of silicon in fluoride melts.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Inorg Chem
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
Japão