Controllable Combustion Synthesis of SiC Nanowhiskers in a Si-C-N System: The Role of the Catalyst

• Main Authors: Min Xia, Hong-Yan Guo, Muhammad Irfan Hussain
• Format: Article
• Language: English
• Published: MDPI AG 2019-12-01
• Series: Applied Sciences
• Subjects: optical materials; combustion synthesis; silicon carbide nanowhiskers; first-principles calculations
• Online Access: https://www.mdpi.com/2076-3417/10/1/252

Silicon carbide (SiC) nanowhiskers (NWs) constitute an important type of optical and structural materials. Herein, SiC NWs were successfully combustion synthesized (CSed) in a Si-C-N system using tungsten (W) as a catalyst. Scanning electron microscopy, transmission electron microscopy, and X-ray diffraction were used to characterize the SiC NWs. Results of morphological characterization indicated that the W-catalyzed CSed SiC NWs products were fluffy from surface to the core, and they were about several hundred micrometers in length with diameters less than 1 &#956;m. For the comprehensive understanding of the initial growing progress of W-catalyzed CSed SiC NWs, the absorption behavior of C, N, and Si atoms on the crystal planes of W (100), W (110), and W (111) surfaces was investigated by using first-principles calculations. The calculated surface energy (<i>E</i>_surf) of the studied W surfaces and the absorption energy of C, N, and Si atoms on different sites, indicate that the C atom has a priority to sink to the nanometer catalysts grain of W, and the pre-sunk C atom then reacts with Si atom to form NWs.