Topochemically Controlled Redox Reactions in the System In/Sn/Cl |
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Authors: | Horst P Beck Daniel Becker |
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Abstract: | The difference in reactivity of the two modifications of InCl in solid state reactions with SnCl2 is discussed. It is explained on the basis of semi‐empirical and ab initio calculations giving the density of states diagrams of InCl and the energies of possible disproportionation reactions. Their general features are discussed on the basis of a simple bonding picture for open‐packed structures involving inert pair elements. A detailed analysis of the DOS distribution allows to pinpoint the observed redox instability to a specific structural feature of α‐InCl. |
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Keywords: | Indium Tin Solid state reactivity Ab initio calculations |
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