Two-dimensional tetragonal Ti2BN: A novel potential anode material for Li-ion batteries

Recent Developments of Two-Dimensional Anode Materials and Their Composites in Lithium-Ion Batteries

“…The application of 2D materials for energy storage has attracted more and more attention. − Due to the higher demand for battery capacity in the market, development of cathode materials with higher energy density of LIBs has been promoted. And numerous materials have emerged for LIBs. − According to crystal structures and elemental compositions, 2D materials can be roughly divided into the following types: graphene, TMDs, TMOs, MXenes, and Xenes, as shown in Figure . These 2D nanomaterials have unique structures and properties, which can be widely applied in different fields of electronics. − Graphene is the most familiar 2D material with good electrical conductivity and high specific surface area (Figure ), which can provide high-capacity and -rate characteristics in LIBs.…”

Novel boron nitride MXenes as promising energy storage materials

“…A study on Ti 2 BN was also performed using DFT. 47 However, the structure adopted for this study was not strictly a conventional MXene (space group P 63/ mmc ). They reported an excellent stability of Ti 2 BN and its potential application as an anode in Li-ion electrochemical energy storage systems.…”

“…43-45. There have been very few studies on the potential properties of boron nitride MXenes and their potential applications. 46,47 Wang et al 46 explored the stability, structural and electronic properties of Ti 3 BN monolayer using density functional theory (DFT) calculations. By considering a Ti-N-Ti-B-Ti sequence for the monolayer, which in essence, has B and N in separate layers, a global energy minimum structure for Ti 3 BN monolayer was searched by particle-swarm optimization (PSO).…”

Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V2P2 sheet

“…Similar to MBene, the titanium boron nitride (Ti 2 BN) sheet has been theoretically demonstrated for Li-ion battery (LIBs) with a capacity of about 889 mA h g À1 , 24, and 165 meV diffusion barrier of Li on the Ti 2 BN surface and interlayer. 10 Moreover, a series of TM 2 BC in bulk and monolayer forms have been shown to exhibit metallic properties with potential applications for superconducting, ceramic, and high T c ferromagnetic spintronics. [11][12][13][14] It should be noted that these reported MnX (X ¼ As, P), Ti 2 BN and Ti 2 BC materials have similar MBene building blocks in 2D and bulk forms.…”