Large‐Scale Synthesis and Applications of Hafnium–Tantalum Carbides

• Published in: Advanced functional materials 2022-09, Vol.32 (38), p.n/a
• Main Authors: Kvashnin, Alexander G., Nikitin, Dmitry S., Shanenkov, Ivan I., Chepkasov, Ilya V., Kvashnina, Yulia A., Nassyrbayev, Artur, Sivkov, Alexander A., Bolatova, Zhanar, Pak, Alexander Ya
• Format: Article
• Language: English
• Subjects: Coatings; computational discovery; Crystal structure; Hafnium; hafnium‐tantalum carbides; Materials science; nonstoichiometric compounds; Optimization; plasma dynamic synthesis; protective coatings; Stoichiometry; Synthesis; Tantalum; Tantalum carbide; Transition metals
• ISSN: 1616-301X; 1616-3028
• DOI: 10.1002/adfm.202206289

Comprehensive theoretical and experimental studies are performed to discover a new way of synthesis of HfTaC coatings. Here, an evolutionary search for stable crystal structures in the ternary HfTaC system with subsequent selective large‐scale experimental synthesis of coatings using a unique plasma dynamic experimental setup is performed. Optimization of the experimental process allows us to perform selective synthesis of coatings made of hafnium–tantalum carbides with predefined stoichiometry, crystal structure, and properties. Along with more than 70 compounds, the HfTaC system belongs to ternary and quaternary carbides of group IV and V transition metals, and this study opens the door to synthesis of a large number of functional coatings composed of other carbides including high‐entropy carbides. A plasma dynamic synthesis of both powders and protective coatings made of HfTaC of various stoichiometries is performed. Computational prediction allows to define stable compositions of HfTaC compounds which then will be synthesized. Newly synthesized HfTaC powders demonstrate high stability with respect to oxidation. Formed coatings made of HfTaC on the coppers substrate show good protective ability agains mechanical and thermal damage. The proposed efficient and inexpensive method will allow to synthesize HfTaC powders and coatings and coatings of a big variety of other complex carbides, borides, and nitrides.