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

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...

Study on the Infrared and Raman spectra of Ti3AlB2, Zr3AlB2, Hf3AlB2, and Ta3AlB2 by first-principles calculations

“…Each unit cell contains two primitive cells, resulting in a total of 12 atoms in each conventional unit cell. And the compounds Ti 3 AlB 2 , Zr 3 AlB 2 , Hf 3 AlB 2 , and Ta 3 AlB 2 can be considered as 312 phases in the M n+1 AlB n phase structure, which is consistent with references 71 , 72 . In the M 3 AlB 2 structure, the Al layer atoms are inserted between the adjacent M layer atoms, and the B atoms fill the octahedral interstitial positions of the former.…”

Porous VN nanosheet arrays on MXene carbon fibers for flexible supercapacitors

“…MXene, a 2D material boasting high electrical conductivity (6700 S cm −1 ) and abundant surface functional groups, has gained extensive usage in supercapacitors. 17,18 However, during the synthesis of MXene, van der Waals forces can lead to re-aggregation to severely hinder ion diffusion and limit the exposure of active surface sites, resulting in low material utilization and only modest improvement in the electrochemical energy storage performance. 19,20 Hence, it is critical to refine the structure of electrode materials.…”