Nitrogen doping-induced rectifying behavior with large rectifying ratio in graphene nanoribbons device

Abstract

By applying nonequilibrium Green’s functions in combination with density-function theory, we investigate the electronic transport properties of armchair graphene nanoribbons devices with one undoped and one nitrogen-doped armchair graphene nanoribbons electrode. For the doped armchair graphene nanoribbons electrode, an N dopant is considered to substitute the center or edge carbon atom. The results show that the electronic transport properties are strongly dependent on the width of the ribbon and the position of the N dopant. The rectifying behavior with large rectifying ratio can be observed and can be modulated by changing the width of the ribbon or the position of the N dopant. A mechanism for the rectifying behavior is suggested.

All-carbon sp-sp2 hybrid structures: Geometrical properties, current rectification and current amplification

“…In our studies, geometric optimizations of the device region and calculations of electronic structure and transport properties are performed by using the density function theory (DFT) combined with the non-equilibrium Green's function (NEGF) method383940. We employ Troullier-Martins norm-conserving pseudopotentials to represent the atom core and linear combinations of local atomic orbitals to expand the valence states of electrons.…”

Electronic structures and transport properties of armchair graphene nanoribbons by ordered doping

“…Since graphene, a two-dimensional (2D) network of sp 2 -hybridized carbon atoms packed into hexagonal structure with a single-atom thickness, was successfully fabricated in 2004, it has led to a new round of research boom in condensed matter physics and material science due to its unique properties [1][2][3][4][5][6][7][8]. So far, not only graphene can be obtained and characterized by various experimental methods, but also its nature and potential applications are widely explored by theoretical calculations and analysis.…”

Rectifying behavior and negative differential resistance in triangular graphene p–n junctions induced by vertex B–N mixture doping

“…Also, lots of 45 interesting physical properties, for example, rectifying 46 behaviors, negative differential resistance, and switching 47 effects, have been investigated in molecular devices [3- zigzag-edged graphene nanoribbon heterojunctions [12] 58 or by weak intermolecular interaction on electronic bilayer 59 graphene nanoribbon device [15]. Meanwhile, negative dif-60 ferential resistance has been found in molecular devices 61 with specially designed [16][17][18][19][20][21][22][23]. For instance, by increas- 62 ing the interaction length [17], by an external electric field 63 [18] or using the high-bias properties of gold-carbon 64 bonds, a family of diodes has been synthesized [21].…”

“…More-77 graphene has been improved [32]. Furthermore, negative 78 differential resistance (NDR) behavior has been found with 79 the change of doping position and the electronic transport 80 properties are strongly related to the width of the ribbon 81 and the position of the N dopant [22,23] The molecular device is illustrated in Fig. 1 In the transmission spectrum, the energy region which 112 contributes to the current has been known as the bias win-113 dow.…”