A scheme to fabricate magnetic graphene-like cobalt nitride CoN₄ monolayer proposed by first-principles calculations

Abstract

Based on the first-principles calculations, we propose a scheme to fabricate the cobalt nitride CoN4 monolayer, a magnetic graphene-like two-dimensional material, in which all Co and N atoms are in a plane. Under the pressure above 40 GPa, the bulk CoN4 is stabilized in a triclinic phase. With the pressure decreasing, the triclinic phase of CoN4 is transformed into an orthorhombic phase, and the latter is a layered compound with large interlayer spacing. At ambient condition, the weak interlayer couplings are so small that single CoN4 layer can be exfoliated by the mechanical method.

Comparative Study of the Photocatalytic Activity of g C3N4/MN4 (M=Mn, Fe, Co) for Water Splitting Reaction

“…The structural and magnetic properties of these compounds were subsequently investigated. Additionally, Zhang et al have proposed a method for fabricating a magnetic graphene-like CoN4 monolayer through the use of first-principles calculations [53].…”

Density functional theory-based modeling of the half-metallic g-C3N4/CoN4 heterojunction for photocatalytic water splitting reaction

“…They investigated the structural and magnetic properties of 2D binary transition MN 4 . In another work, Shuo Zhang et al 56 also proposed a scheme for fabricating a magnetic graphene-like cobalt nitride (CoN 4 ) monolayer using firstprinciples calculations. Xiaoxu Sun et al 57 systematically analyzed the dual-site ORR mechanism on CoN 4 and CoN 2 embedded graphene.…”

A theoretical study on the photocatalytic activity of g-C3N4/CoN4 for water splitting reaction

“…They investigated the structural and magnetic properties of twodimensional binary transition MN4. In another study, Zhang et al proposed a scheme for fabricating a magnetic graphene-like cobalt nitride CoN4 monolayer using first-principles calculations [58]. Xiaoxu Sun et al [59] As theoretically reported, CoN4 may also have a diamond-like structure.…”