Electronic properties of T graphene-like C–BN sheets: A density functional theory study

Orbital susceptibility of T-graphene: Interplay of high-order van Hove singularities and Dirac cones

“…Though it is not probably easy to fine-tune the hopping parameters experimentally, one can observe the different phases by analyzing different materials that are based on square-octagon lattice (see Refs. [13,17,18]). Also, the T-graphene model can be realized experimentally with cold fermionic atoms in an optical lattice, or in phononic crystals [52].…”

“…In addition, structural and electronic properties of T-graphene and its modifications were studied by DFT calculations in Refs. [12][13][14][15] and the kinetic stability with time was analyzed in Ref. [16].…”

The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules

“…In homogeneously structured B x C y N z compounds in which carbon atoms of graphite are partially substituted by boron and nitrogen atoms, the electronic behavior of pure C and BN nanomaterials are appropriate for miniaturization of electronic devices, lightweight electrical conductors, transistors, light emission diodes, and lasers [29,30]. Among the various ternary BCN systems, some of C x (BN) y nanotubes and nanosheets such as BC x N (1 < x < 5) [26,31,32], have been synthesized experimentally. It should be mentioned that the band gaps and other electronic properties of these new synthesized compounds are intermediate between those of pure carbon and BN [26,33].…”

Effect of BN nanodots on the electronic properties of α- and β-graphyne sheets: a density functional theory study

“…N and B atoms are considered as the typical electron (n-type) and hole (p-type) doping elements since they are located in the periodic table one position behind and before from C atom, respectively. B-and N-doped graphene and graphyne sheets are reported to be good semiconductors [8][9][10][11][12]. It is also found that BN co-doping is a process that opens a band gap in graphene and graphyne sheets, and changes the character of these sheets from a semimetal to a semiconductor [13][14][15][16].…”

“…Many strategies such as applying external electric field, producing nanoribbons, adsorbing molecules, chemical doping, and functionalization have been proposed to introduce a band gap in graphene and graphyne [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23]. In particular, many studies have been focused on the modulation of the electronic properties of these sheets by doping [8][9][10][11][12]. N and B atoms are considered as the typical electron (n-type) and hole (p-type) doping elements since they are located in the periodic table one position behind and before from C atom, respectively.…”