Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the dynamics evolution of complex carbonaceous materials. A …

This review article highlights the major breakthroughs achieved in the designing of novel
cathodes with optimized discharge capacity of Li-air batteries by using multiscale modeling …

The electrode porosity distribution of hybrid electrolyte lithium-air battery had a direct effect
on the mass transfer inside the electrode and the accumulation of LiOH· H 2 O products …

Lithium–air batteries have emerged as an interesting alternative for advanced energy
storage devices. The complexity of such systems imposes great challenges. One of them …

In this work, we investigate the diffusion of LiCl electrolytes in 3D-nanoporous graphene
structures (3D-NGSs) through molecular dynamics simulations. The diffusion coefficients, D …

The commercialization of ultrahigh capacity lithium–oxygen (Li–O2) batteries is highly
dependent on the cathode architecture, and a better understanding of its role in species …

Lithium-ion battery has been widely used in many fields; however, a good energy–density
along with a high working voltage cathode is highly required. Here, a three-dimensional …

The lithium-air battery is getting attention as a good technology for energy storage.
Nevertheless, the design of such a device still faces some crucial limitations. The most …

The non-aqueous Li-air battery is considered to be a promising energy source for electric-
vehicles owing to its ultrahigh theoretical energy density. However, its commercialization is …

For the development of porous materials with improved transport properties, a key ingredient
is to determine the relations between growth kinetics, structure, and transport parameters …