Rechargeable lithium-ion batteries (LIBs) have been serving as one the most critical
components of fast growing technologies, such as the mobile electronic and electrified …

Two-dimensional monolayer titanium carbide (TiC 3) was used to study as a suitable
electrode material for lithium-ion batteries with first principles calculation. The monolayer TiC …

Using density functional theory calculations, the adsorption of gaseous molecules (NO, NO2,
NH3, SO2, CO, HCN, O2, H2, N2, CO2, and H2O) on the graphitic SiC monolayer and …

The unique structural characteristics make the 2D materials potential candidates for
designing negative electrodes for rechargeable energy storage devices. Here, by employing …

Silicon was regarded as a promising anode material for the next generation ion batteries
due to the extremely high theoretical capacity (4200 mAh/g) and reasonable working …

Next generation lithium-ion batteries (LIBs) are in need of high energy density electrode
materials to advance the world with electric vehicles and thereby to give a pollution-free …

Two-dimensional material NiB 6 has attracted attention and predicted to be a potential
candidate for next-generation nanoscale devices duo to its excellent mechanical and …

The structural stability of carbon and the high theoretical capacity of silicon was the
motivation for investigating the prospects of layered silicon carbide (SiC). The density …

Density functional theory calculations with dispersion corrections were employed to
investigate the hydrogen (H2) adsorptive properties of siligraphene (SiC8), pristine and …

In order to advance the current technology to cope with the future challenges, the search of
anode materials beyond‐graphite for use in lithium ion battery is in progress. First principles …