Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitride
Vanadium nitride (VN) serves as a versatile material in various applications such as electrodes, ceramics, catalysts, and alloy components owing to its robust electrical performance, favorable stability, and high hardness. However, conventional VN synthesis methods require long soaking times and hig...
| Κύριοι συγγραφείς: | , , , , , , , , , , , |
|---|---|
| Μορφή: | Άρθρο |
| Γλώσσα: | English |
| Έκδοση: |
Elsevier
2024-03-01
|
| Σειρά: | Journal of Materials Research and Technology |
| Θέματα: | |
| Διαθέσιμο Online: | http://www.sciencedirect.com/science/article/pii/S2238785424003776 |
| _version_ | 1827310729199353856 |
|---|---|
| author | Li Liu Bo Liu Xiumin Chen Wei Liu Jie Zhou Xiran Zhao Lianfeng Yang Zhuo Sheng Bin Yang Baoqiang Xu Dachun Liu Wenlong Jiang |
| author_facet | Li Liu Bo Liu Xiumin Chen Wei Liu Jie Zhou Xiran Zhao Lianfeng Yang Zhuo Sheng Bin Yang Baoqiang Xu Dachun Liu Wenlong Jiang |
| author_sort | Li Liu |
| collection | DOAJ |
| description | Vanadium nitride (VN) serves as a versatile material in various applications such as electrodes, ceramics, catalysts, and alloy components owing to its robust electrical performance, favorable stability, and high hardness. However, conventional VN synthesis methods require long soaking times and high temperatures. This study investigates a method wherein VxCy powder was soaked in an N2 atmosphere for a shorter period of time at a lower temperature to produce high-quality VN particles. The mechanism underlying this process was investigated via thermodynamic analyses, ab initio molecular dynamics (AIMD) simulations, and experimental studies. Thermodynamic analysis validates the thermodynamic feasibility of the reactions between VxCy and N2 to produce VN, while the atomic-level interactions between VxCy, N2, and surplus C atoms were comprehensively elucidated. By analyzing the two systems, it was discovered that the surplus C promoted the combination of N2 molecules with V atoms to form V–N in shorter AIMD simulation durations. Surplus C increased the chance of N2 molecules and V atoms to contact, similar to a catalytic effect, by activating N2 molecules to decompose and further reacted with V atoms to form VN. According to the experimental results, high-quality VN particles were formed at a heating temperature of 1323 K and soaking period of 90 min. Field-emission scanning electron microscopy (SEM) coupled with energy-dispersive spectrometry (EDS), particle size distribution analysis, and X-ray diffraction (XRD) were used to characterize the final product. The O and N contents were measured by an O/N analyzer at 0.11% and 17.4%, respectively. Accordingly, a C/S analyzer measured the C content at 3.92%. These analyses indicate that high-quality VN can be obtained by the VxCy nitridation in N2 atmosphere. |
| first_indexed | 2024-03-07T22:01:12Z |
| format | Article |
| id | doaj.art-762c418ba5d344eda934b7f901b82d37 |
| institution | Directory Open Access Journal |
| issn | 2238-7854 |
| language | English |
| last_indexed | 2024-04-24T20:04:36Z |
| publishDate | 2024-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj.art-762c418ba5d344eda934b7f901b82d372024-03-24T06:58:15ZengElsevierJournal of Materials Research and Technology2238-78542024-03-012939233933Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitrideLi Liu0Bo Liu1Xiumin Chen2Wei Liu3Jie Zhou4Xiran Zhao5Lianfeng Yang6Zhuo Sheng7Bin Yang8Baoqiang Xu9Dachun Liu10Wenlong Jiang11National Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China; Kunming Engineering & Research Institute of Nonferrous Metallurgy Co., Ltd., Kunming, 650051, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China; Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China; Corresponding author. National Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China.National Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China; Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China; Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China; Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaNational Engineering Research Center of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR China; Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, PR ChinaVanadium nitride (VN) serves as a versatile material in various applications such as electrodes, ceramics, catalysts, and alloy components owing to its robust electrical performance, favorable stability, and high hardness. However, conventional VN synthesis methods require long soaking times and high temperatures. This study investigates a method wherein VxCy powder was soaked in an N2 atmosphere for a shorter period of time at a lower temperature to produce high-quality VN particles. The mechanism underlying this process was investigated via thermodynamic analyses, ab initio molecular dynamics (AIMD) simulations, and experimental studies. Thermodynamic analysis validates the thermodynamic feasibility of the reactions between VxCy and N2 to produce VN, while the atomic-level interactions between VxCy, N2, and surplus C atoms were comprehensively elucidated. By analyzing the two systems, it was discovered that the surplus C promoted the combination of N2 molecules with V atoms to form V–N in shorter AIMD simulation durations. Surplus C increased the chance of N2 molecules and V atoms to contact, similar to a catalytic effect, by activating N2 molecules to decompose and further reacted with V atoms to form VN. According to the experimental results, high-quality VN particles were formed at a heating temperature of 1323 K and soaking period of 90 min. Field-emission scanning electron microscopy (SEM) coupled with energy-dispersive spectrometry (EDS), particle size distribution analysis, and X-ray diffraction (XRD) were used to characterize the final product. The O and N contents were measured by an O/N analyzer at 0.11% and 17.4%, respectively. Accordingly, a C/S analyzer measured the C content at 3.92%. These analyses indicate that high-quality VN can be obtained by the VxCy nitridation in N2 atmosphere.http://www.sciencedirect.com/science/article/pii/S2238785424003776VxCy nitridationHigh-quality VNThermodynamicsab initio molecular dynamics |
| spellingShingle | Li Liu Bo Liu Xiumin Chen Wei Liu Jie Zhou Xiran Zhao Lianfeng Yang Zhuo Sheng Bin Yang Baoqiang Xu Dachun Liu Wenlong Jiang Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitride Journal of Materials Research and Technology VxCy nitridation High-quality VN Thermodynamics ab initio molecular dynamics |
| title | Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitride |
| title_full | Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitride |
| title_fullStr | Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitride |
| title_full_unstemmed | Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitride |
| title_short | Mechanistic and experimental study of VxCy nitridation in N2 atmosphere to prepare high-quality vanadium nitride |
| title_sort | mechanistic and experimental study of vxcy nitridation in n2 atmosphere to prepare high quality vanadium nitride |
| topic | VxCy nitridation High-quality VN Thermodynamics ab initio molecular dynamics |
| url | http://www.sciencedirect.com/science/article/pii/S2238785424003776 |
| work_keys_str_mv | AT liliu mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT boliu mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT xiuminchen mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT weiliu mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT jiezhou mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT xiranzhao mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT lianfengyang mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT zhuosheng mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT binyang mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT baoqiangxu mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT dachunliu mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride AT wenlongjiang mechanisticandexperimentalstudyofvxcynitridationinn2atmospheretopreparehighqualityvanadiumnitride |