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

  • Ternary II-IV-N-2 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-N-2 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.

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Author details:Zhenyu WangORCiD, Daniel FritschORCiD, Stefan BerendtsGND, Martin Lerch, Joachim BreternitzORCiDGND, Susan SchorrORCiDGND
DOI:https://doi.org/10.1039/d1sc00328c
ISSN:2041-6539
Pubmed ID:https://pubmed.ncbi.nlm.nih.gov/34221330
Title of parent work (English):Chemical science / RSC, Royal Society of Chemistry
Publisher:Royal Society of Chemistry
Place of publishing:Cambridge
Publication type:Article
Language:English
Date of first publication:2021/05/13
Publication year:2021
Release date:2024/05/08
Volume:12
Issue:24
Number of pages:8
First page:8493
Last Page:8500
Funding institution:MatSEC graduate school of Helmholtz-Zentrum Berlin
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
DDC classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Peer review:Referiert
Publishing method:Open Access / Gold Open-Access
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License (English):License LogoCreative Commons - Namensnennung 3.0 Unported
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