Chemical Bonding and Transport Properties in Clathrates‑I with Cu–Zn–P Frameworks

Quaternary clathrate-I phases with an overall composition of Ba8 M 16+yP30‑y (M = Cu,Zn) exhibit complex structural chemistry. Characterization of the electronic structures and chemical bonding using quantum-chemical calculations and 31P solid state NMR spectroscopy demonstrated that the Cu–Zn–P fra...

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Veröffentlicht in:	Chemistry of materials 2018-05, Vol.30 (10), p.3419-3428
Hauptverfasser:	Dolyniuk, Juli-Anna, Wang, Jian, Marple, Maxwell A. T, Sen, Sabyasachi, Cheng, Yongqiang, Ramirez-Cuesta, Anibal J, Kovnir, Kirill
Format:	Artikel
Sprache:	eng
Schlagworte:	INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Online-Zugang:	Volltext
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