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  Wang, Z.; Fritsch, D.; Berendts, S.; Lerch, M.; Breternitz, J.; Schorr, S.: Elucidation of the reaction mechanism for the synthesis of ZnGeN₂ through Zn₂GeO₄ ammonolysis. Chemical Science 12 (2021), p. 8493-8500

10.1039/d1sc00328c
Open Access Version

Abstract:
Ternary II-IV-N2 materials have been considered as a promising class of materials that combine photovoltaic performance with earth-abundance and low toxicity. When switching from binary III-V materials to ternary II-IV-N2 materials, further structural complexity is added to the system that may influence its optoelectronic properties. Herein, we present a systematic study of the reaction of Zn2GeO4 with NH3 that produces zinc germanium oxide nitrides, and ultimately approach stoichiometric ZnGeN2, using a combination of chemical analyses, X-ray powder diffraction and DFT calculations. Elucidating the reaction mechanism as being dominated by Zn and O extrusion at the later reaction stages, we give an insight into studying structure-property relationships in this emerging class of materials.