Creation of a boron carbide-based Ti3AlBC (312) MAX phase: a route to novel MXenes for energy storage

Md Shahinoor Alam; Mohammad Asaduzzaman Chowdhury; Md Rasidul Islam; Md Saiful Islam; Md Moynul Islam; Razu Ahmed

doi:10.1039/d4cc00660g

Creation of a boron carbide-based Ti₃AlBC (312) MAX phase: a route to novel MXenes for energy storage

Chem Commun (Camb). 2024 Apr 23;60(34):4585-4588. doi: 10.1039/d4cc00660g.

Authors

Md Shahinoor Alam^{1

2}, Mohammad Asaduzzaman Chowdhury¹, Md Rasidul Islam³, Md Saiful Islam⁴, Md Moynul Islam⁴, Razu Ahmed⁵

Affiliations

¹ Department of Mechanical Engineering, Dhaka University of Engineering and Technology, Gazipur, Gazipur 1707, Bangladesh. majshahin4282@gmail.com.
² Vice Chancellor, Bangladesh Army University of Engineering and Technology, Qadirabad Cantonment, Natore-6431, Bangladesh.
³ Department of Electrical and Electronic Engineering, Bangamata Sheikh Fojilatunnesa Mujib Science & Technology University, Jamalpur, 2012, Bangladesh.
⁴ Department of Chemistry, Bangladesh Army University of Engineering and Technology, Qadirabad Cantonment, Natore-6431, Bangladesh.
⁵ Department of Physics, Bangladesh Army University of Engineering and Technology, Qadirabad Cantonment, Natore-6431, Bangladesh.

PMID: 38576405
DOI: 10.1039/d4cc00660g

Abstract

A novel boron carbide (B₄C)-based Ti₃AlBC (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 Ti₃AlBC, 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.