Etude expérimentale et théorique d’un nouveau composé halogène pnicture Hg$_{12}$Sb$_6 ($Br$_{5,186}$I$_{6,814})$
We synthesized the compound $\mathrm{Hg}_{12}\mathrm{Sb}_6(\mathrm{Br}_{5,186}\mathrm{I}_{6,814})$ by chemical vapour transport method. Its structure was determined by single crystal X-ray diffraction. The optical band gap was determined as 2,1 eV according to UV${-}$vis diffuse reflectance spectros...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Académie des sciences
2022-08-01
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| Series: | Comptes Rendus. Chimie |
| Subjects: | |
| Online Access: | https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.191/ |
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| Summary: | We synthesized the compound $\mathrm{Hg}_{12}\mathrm{Sb}_6(\mathrm{Br}_{5,186}\mathrm{I}_{6,814})$ by chemical vapour transport method. Its structure was determined by single crystal X-ray diffraction. The optical band gap was determined as 2,1 eV according to UV${-}$vis diffuse reflectance spectroscopy. Furthermore, the photocatalytic experiments have shown the ability of the $\mathrm{Hg}_{12}\mathrm{Sb}_6$ ($\mathrm{Br}_{5,186}\mathrm{I}_{6,814}$) to degrade rhodamine B (RhB) under solar light radiation. The ab initio calculations using the CASTEP code give a gap of 1,7 eV in good agreement with that found experimentally. |
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| ISSN: | 1878-1543 |