About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Characterization of Minerals, Metals and Materials 2022
|
Presentation Title |
Low-temperature Preparation and Mechanism Study of Vanadium Nitride |
Author(s) |
Yongjie Liu, Qingqing Hu, Donglai Ma, Yue Wang, Zhixiong You |
On-Site Speaker (Planned) |
Yongjie Liu |
Abstract Scope |
In this study, VN was successfully prepared from V2O5 in an ammonia atmosphere at 600℃. Factsage 8.0 software was used to analyze the gas composition in the reaction process. Meanwhile, based on the first principle of density functional theory, the adsorption model of NH3 on V2O5(001) surface was established. The adsorption of NH3 on V2O5(001) surface was revealed by analyzing the structure change and adsorption energy of the adsorption model. The results show that the adsorption of NH3 on V2O5(001) surface makes the bond length of the surrounding V-O bond longer, which describes the reaction situation of NH3 and V2O5 microscopic surface interface to a certain extent. Therefore, through thermodynamic calculation and first-principles calculation and analysis, the microscopic mechanism of the reaction is revealed, which is of great significance to the determination of process parameters in the actual reaction. |
Proceedings Inclusion? |
Planned: |
Keywords |
Powder Materials, Ceramics, Other |