Holey Graphene: Topological Control of Electronic Properties and Electric Conductivity

Abstract

This paper studies holey graphene with various neck widths (the smallest distance between two neighbor holes). For the considered structures, the energy gap, the Fermi level, the density of electronic states, and the distribution of the local density of electronic states (LDOS) were found. The electroconductive properties of holey graphene with round holes were calculated depending on the neck width. It was found that, depending on the neck width, holey graphene demonstrated a semiconductor type of conductivity with an energy gap varying in the range of 0.01–0.37 eV. It was also shown that by changing the neck width, it is possible to control the electrical conductivity of holey graphene. The anisotropy of holey graphene electrical conductivity was observed depending on the direction of the current transfer.

The Influence of Hydrogen Passivation on Conductive Properties of Graphene Nanomesh—Prospect Material for Carbon Nanotubes Growing

“…Thus, the presence of GNM with the triangle hole is highly improbable, it will be completed to holes of other geometric forms or will be filled by atoms of other types. By the original methodic, the virtual growing of CNT (11,10) from the obtained GNM supercells was performed. It was found that the growing of VACNT(11,10)-graphene from GNM with the circle form is the most energetically favorable since it has the lowest energy barrier 0.014 eV/atom.…”

“…We chose CNT (11,10) for growing since it had the smallest radius from the most often synthesized CNTs [29][30][31]. Merging CNT and GNM was performed by the original methodic that provides building seamless junctions of carbon nanostructures [32].…”

“…As it seen from Figure 4, the lowest energy matches to the structure with the hexagonal hole (−47.23 eV/atom). GNM with holes with the circle hole, so the growing of VACNT (11,10)-graphene from GNM with the circle hole is the least energy-consuming. For comparison, the energy barrier in the case of the circle and square forms equals 0.021 eV/atom, in the case of the triangle hole-0.016 eV/atom.…”

“…[7]. GNM demonstrates a band gap (BG) that can be tuned by changing the neck's width (the distance between neighbor holes) and nanohole's topology [8][9][10][11]. It was shown that a field-effect transistor on the base of GNM surpasses its graphene analogue in terms of output conductance, voltage gain, and maximum oscillation frequency [12].…”

Density Functional Theory‐Based Calculations for 2D Hexagonal Lanthanide Metals

“…[2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] These 2D materials have received widespread attention because they exhibit outstanding features and properties in atomically thin 2D as compared with their bulk counterparts. [21][22][23][24][25][26][27][28][29] Their properties can be modified by chemical doping, creating vacancy/defect, or by the formation of heterostructures with the other 2D materials. [5,30,31] There is still a lot of scope for the search of other novel 2D materials with enchanting properties for their applications like electronics, DOI: 10.1002/adts.202200057 optoelectronics, spintronics, thermoelectric, gas sensing, storage, catalysis, etc.…”