| Autor: |
Eisenburger, Lucien, Weippert, Valentin, Paulmann, Carsten, Johrendt, Dirk, Oeckler, Oliver, Schnick, Wolfgang |
| Jazyk: |
angličtina |
| Rok vydání: |
2022 |
| Předmět: |
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| Druh dokumentu: |
Článek |
| DOI: |
10.1002/anie.202202014 |
| Popis: |
TiP4N8 was obtained from the binary nitrides TiN and P3N5 upon addition of NH4F as a mineralizer at 8 GPa and 1400 °C. An intricate interplay of disorder and polymorphism was elucidated by in situ temperature- dependent single-crystal X-ray diffraction, STEMHAADF, and the investigation of annealed samples. This revealed two polymorphs, which consist of dense networks of PN4 tetrahedra (degree of condensation k= 0.5) and either augmented triangular TiN7 prisms or triangular TiN6 prisms for α- and β-TiP4N8, respectively. The structures of TiP4N8 exhibit body-centered tetragonal (bct) framework topology. DFT calculations confirm the measured band gaps of α- and β-TiP4N8 (1.6–1.8 eV) and predict the thermochemistry of the polymorphs in agreement with the experiments. |
| Databáze: |
Networked Digital Library of Theses & Dissertations |
| Externí odkaz: |
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