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 …

Anode materials that exhibit high energy density, high power density, long life cycle, and
better safety profile for lithium‐ion batteries are necessary for the development of electric …

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 …

A taxonomy for sp 2 carbon allotropes in two dimensions (2D) is proposed where single-
layer structures are assigned a unique symbol associated with the geometry of each …

We present results of density functional theory calculations on the lithium (Li) ion storage
capacity of three different two dimensional porous graphene-like membranes. The graphitic …

Biphenylene carbon (BPC) functionalized with alkali and alkaline earth metals is considered
for its potential as a high capacity hydrogen storage material. Using density functional theory …

As the promising and highly‐focused materials after silicon, carbon, and phosphorus
promote the development of nanotechnology due to its allotropes with unique structures and …

Graphenylene is a 2D porous carbon layer with a semiconducting character. In recent years,
it has been gaining attention due its interesting applicability, such as a energy storage …

Using first-principles density functional theory (DFT) calculations, we evaluate the suitability
of BP-biphenylene (b-BP) and BP-graphenylene (g-BP) monolayers for Li+/Na+-ion and …

Using van der Waals corrected density functional theory (DFT), we theoretically predict the
performance of a strain-controlled graphenylene membrane in multifunctional gas …