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SnCN₂: A Carbodiimide with an Innovative Approach for Energy Storage Systems and Phosphors in Modern LED Technology

Braun, Cordula 1; Mereacre, Liuda 1; Hua, Weibo 1; Stürzer, Tobias; Ponomarev, Ilia; Kroll, Peter; Slabon, Adam; Chen, Zheng; Damour, Yann; Rocquefelte, Xavier; Halet, Jean-François; Indris, Sylvio ORCID iD icon 1
1 Institut für Angewandte Materialien (IAM), Karlsruher Institut für Technologie (KIT)


The carbodiimide SnCN$_{2}$ was prepared at low temperatures (400 °C–550 °C) by using a patented urea precursor route. The crystal structure of SnCN$_{2}$ was determined from single‐crystal data in space group C2/c (no. 15) with a=9.1547(5), b=5.0209(3), c=6.0903(3) Å, β=117.672(3), V=247.92 Å$^{3}$ and Z=4. As carbodiimide compounds display remarkably high thermal and chemical resistivity, SnCN$_{2}$ has been doped with Eu and Tb to test it for its application in future phosphor‐converted LEDs. This doping of SnCN$_{2}$ proved that a color tuning of the carbodiimide host with different activator ions and the combination of the latter ones is possible. Additionally, as the search for novel high‐performing electrode materials is essential for current battery technologies, this carbodiimide has been investigated concerning its use in lithium‐ion batteries. To further elucidate its application possibilities in materials science, several characterization steps and physical measurements (XRD, in situ XANES, Sn Mössbauer spectroscopy, thermal expansion, IR spectroscopy, Mott‐Schottky analysis) were carried out. The electronic structure of the n‐type semiconductor SnCN$_{2}$ has been probed using X‐ray absorption spectroscopy and density functional theory (DFT) computations.

Verlagsausgabe §
DOI: 10.5445/IR/1000126767
Veröffentlicht am 24.11.2020
DOI: 10.1002/celc.202000765
Zitationen: 13
Web of Science
Zitationen: 11
Zitationen: 13
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Angewandte Materialien – Energiespeichersysteme (IAM-ESS)
Young Investigator Network (YIN)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 16.11.2020
Sprache Englisch
Identifikator ISSN: 2196-0216, 2196-0216
KITopen-ID: 1000126767
HGF-Programm 37.01.01 (POF III, LK 01) Fundamentals and Materials
Erschienen in ChemElectroChem
Verlag John Wiley and Sons
Band 7
Heft 22
Seiten 4550–4561
Vorab online veröffentlicht am 01.09.2020
Nachgewiesen in Scopus
Web of Science
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