Theoretical and Experimental Investigations into Novel Oxynitride Discovery in the GaN-TiO2 System at High Pressure
We employed ab initio evolutionary algorithm USPEX to speed up the discovery of a novel oxynitride in the binary system of GaN-TiO2 using high-pressure synthesis. A 1:2 mixture of GaN and nanocrystalline TiO2 (anatase) was reacted under 1 GPa of pressure and at 1200 °C in a piston cylinder apparatus...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2018-01-01
|
| Series: | Crystals |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2073-4352/8/2/15 |