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

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.