The curious case of two dimensional Si2BN: A high-capacity battery anode material

Modeling of Si–B–N Sheets and Derivatives as a Potential Sorbent Material for the Adsorption of Li+ Ion and CO2 Gas Molecule

“…The bond lengths of all of the structures are summarized in Table 1, where the bond lengths of Si–Si, Si–B, Si–N, and B–N are consistent with previous results. 2,18,22 Especially, the experimentally reported bond length of B–N is 1.45 Å 24 and present investigation reports in Table 1 are exactly the same. The parameters such as the area and perimeter of the rings play a vital role in the adsorption mechanism.…”

“…Further, the stability of the structure is examined by molecular dynamics simulation, and the results confirmed the structural stability up to 1000 K. Followed by this report, the Si 2 BN material has been computationally investigated as a hydrogen storage substrate 19 and high-capacity anode material for Li-ion and Na-ion batteries. 2 Both authors highlighted the superior structural stability of the Si 2 BN material. Similarly, the optical properties of hybrid nanostructures made by Si 2 BN have been explored in another study.…”

“…The major challenges in developing rechargeable batteries are high power and energy capacity with rapid charging/discharging rates for several cycles. 2 On the other hand, abundance, low cost, safety, and environmental friendliness are the main objectives to be kept in mind while designing a rechargeable battery. Over the last decade, the word “environmental friendly” has attracted increasing attention from the researchers due to the human-forced climate changes by increasing the concentration of greenhouse gases in the atmosphere.…”

Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer

“…The optimized bond length of PSi 2 BN is 1.46 Å between B-N atoms, 2.24 Å between Si-Si atoms, 1.75 Å between Si-N atoms, and 1.95 Å between Si-B atoms, respectively. We obtained optimized lattice constant a=6.35 Å, b=6.45 Å and c=20 Å for PSi 2 BN, in accordance with previous work [27][28][29]. Figure 1 displays the compound of boron, nitrogen, and silicon which are planarly stabilized and strongly bonded.…”

Rectifying behavior in twisted bilayer black phosphorus nanojunctions mediated through intrinsic anisotropy

“…[4][5][6] Apart from the fundamental interest in 2D materials, intensive research is conducted towards their real world applications, like electrochemical use, energy storage and so on. [7][8][9][10] One of the important areas is electronic devices, where signicant exertion is being devoted to integrating 2D materials into nano-and micro-electronic devices in the forms other than monolayers. 11,12 The synthesis of new materials by stacking monolayers of the same or two different materials, t.ex.…”