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Elucidation of the reaction mechanism for the synthesis of ZnGeN₂ through Zn₂GeO₄ ammonolysis.

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.

SUBMITTER: Wang Z

PROVIDER: S-EPMC8221196 | biostudies-literature |

REPOSITORIES: biostudies-literature

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