A thorough study on the F-decoration of χ3 borophene and enhancement of anodic performance of Lithium-ion batteries

Borophene as a rising star in materials chemistry: synthesis, properties and applications in analytical science and energy devices

“…The DFT model was utilized to investigate the w3 fluorine decoration in order to achieve this goal. 105 The structures Fw3-A and Fw3-B were found to have very comparable energies and good kinetic stability. These studies showed that during the whole lithiation process, there was good metallic property on the surface.…”

Borophene as an emerging 2D flatland for biomedical applications: current challenges and future prospects

“…120 In another DFT study, fluorinated w 3 borophenes showed better specific capacity, high kinetic stability, and Li diffusivity in comparison with their free-standing structure, which suggested their application in high performing Li-ion batteries. 121 Wu et al theoretically proposed the growth of borophene on the Cu(111) surface. Fig.…”

2D boron nanosheet architectonics: opening new territories by smart functionalization

“…115,116 Al and Ga doping could signicantly tune the band gap and optical behavior of borophene due to the p orbital hybridization between B-Al and B-Ga. 117 As for nonmetal dopants, P and halogen doped borophene materials have been predicted to have stable structures and can be excellent anode materials in alkali metal ion batteries. [118][119][120][121][122] For example, P-doped borophene nanosheets possess a high binding energy of 3.42 eV towards Li. Theoretically, the P doped borophene can adsorb 18 Li + to form Li 18 B 23 P and exhibit a high capacity of up to 1732 mA h g À1 , higher than that of pristine phosphorene and pure borophene.…”