Creation of a boron carbide-based Ti 3 AlBC (312) MAX phase: a route to novel MXenes for energy storage.
Md Shahinoor AlamMohammad Asaduzzaman ChowdhuryMd Rasidul IslamMd Saiful IslamMd Moynul IslamRazu AhmedPublished in: Chemical communications (Cambridge, England) (2024)
A novel boron carbide (B 4 C)-based Ti 3 AlBC (312) MAX phase was predicted for the first time via density functional theory (DFT). The stability of the MAX phase was confirmed by mechanical and thermal property analyses. The computational details revealed the attractive properties of Ti 3 AlBC, indicating its potential as an advanced material with improved characteristics. Its thermodynamic properties are reported as a function of temperature, indicating its potential for energy storage applications.