Stimulated by the success of graphene and diamond, a variety of carbon allotropes have
been discovered in recent years in either two-dimensional or three-dimensional …

By applying density functional theory (DFT) and ab-initio molecular dynamics (AIMD)
simulations, we predict the ultrahigh hydrogen storage capacity of K and Ca decorated …

Hydrogen (H 2) energy has emerged as a principal contender for renewable green energy
applications because of the ultra-high energy density and natural abundance. The …

Intrinsic thermoelectric properties in biphenylene nanoribbons (BNRs) and effect of lattice
defects are investigated by employing the nonequilibrium Green's function. A comparative …

We report a first-principles investigation of electronic structure, topological bands, and
electron-phonon interactions in metallic biphenylene sheets. Biphenylene is a recently …

We present results of density functional theory calculations on the lithium (Li) ion storage
capacity of biphenylene (BP) membrane and phagraphene (PhG) which are two …

In the present scenario, hydrogen has become a prominent alternative of fossil fuel that
motivated us to develop more advanced nanomaterials to store efficient hydrogen for future …

The metal-decorated two-dimensional materials have the potential to be considered as
onboard hydrogen storage materials, as they have a high surface area and fast kinetics …

Herein, the hydrogen storage competency of vanadium-decorated biphenylene (Bi+ V) has
been investigated using Density Functional Theory simulations. The metal atom interacts …

The energy demands for the growing development of society need to be met with alternative
and green fuels like hydrogen energy for a lasting and sustainable future. One essential …