Graphynes (GYs) are carbon allotropes with single-atom thickness that feature layered 2D
structure assembled by carbon atoms with sp-and sp2-hybridization form. Various functional …

Graphdiyne is an emerging material widely used in photocatalysis. Its excellent
physicochemical properties, such as nonuniform electron distribution, uniform pore …

Graphdiyne (GDY), a novel two-dimensional carbon allotrope whose features bring together
in layers along sp and sp 2 hybridization based Carbon-atoms are receiving increased …

Abstract Applying Monte Carlo simulation, the critical and compensation behaviors of a
graphyne bilayer are explored in this study. The effects of the crystal field and exchange …

An unprecedented graphyne allotrope with square symmetry and nodal line semimetallic
behavior has been proposed in the two-dimensional (2D) realm. The emergence of the …

Abstract Perdew‐Burke‐Ernzerhof (PBE) and PBE adapted for solids (PBEsol) are
exchange‐correlation (xc) functionals widely used in density functional theory simulations …

G raphdiyne (GDY) has the unique feature in the topological ordered arranged sp-and sp 2-
hybridized carbon atoms, thus deriving a series of 2D allotropes. Due to inhomogeneous π …

In this work, we employ Monte Carlo method to examine the compensation behaviors and
magnetic properties of an Ising-type bilayer graphyne nanoribbon. Consideration is given to …

Magnetic properties of a graphene nanoisland structure have been studied by the effective-
field theory with correlations. It consists of two triangular interpenetrating sublattices …

To induce intrinsic magnetism in the nominally nonmagnetic carbon materials containing
only s and p electrons is an intriguing yet challenging task. Here, based on first-principles …