Electronic properties and quantum transport in Graphene-based nanostructures

Carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) represent a novel class of low-dimensional materials. All these graphene-based nanostructures are expected to display the extraordinary electronic, thermal and mechanical properties of graphene and are thus promising candidates for a wide range of nanoscience and nanotechnology applications. In this paper, the electronic and quantum transport properties of these carbon nanomaterials are reviewed. Although these systems share the similar graphene electronic structure, confinement effects are playing a crucial role. Indeed, the lateral confinement of charge carriers could create an energy gap near the charge neutrality point, depending on the width of the ribbon, the nanotube diameter, the stacking of the carbon layers regarding the different crystallographic orientations involved. After reviewing the transport properties of defect-free systems, doping and topological defects (including edge disorder) are also proposed as tools to taylor the quantum conductance in these materials. Their unusual electronic and transport properties promote these carbon nanomaterials as promising candidates for new building blocks in a future carbon-based nanoelectronics, thus opening alternatives to present silicon-based electronics devices.     

Electronic transport in the multi-terminal graphene nanodevices

We examined the ac transport attribute of the multi-terminal structures in the absence and presence of magnetic field. We found that the ac response depends on the structural configurations and that the admittance varies with the features of the attached nanoribbons. In the vicinity of Dirac point the dc conductance manifests a dip or peak and the imaginary part (emittance) vanishes or not, depending on whether the attached ribbon is semiconductive or metallic. In the presence of magnetic field, the emittance becomes asymmetric reflecting the dynamic behaviors of electron and hole.     

Electronic transport study of PbSe pellets prepared from self-assembled 2D-PbSe nanostructures

This work presents a study of the electronic transport properties of PbSe pellets fabricated starting of PbSe nanostructures that exhibited a flake-like 2D morphology, which were synthesized by the co-precipitation method. Seebeck coefficient measurements revealed that the PbSe sample displays n-type conductivity, a maximum Seebeck coefficient of −512.6 μV/K around 380 K, and that the carriers scattering is dominated by acoustic and optical phonons. The Fermi level dependence on the temperature and the band gap energy are also reported. Interestingly, size-dependent confinement effects due probably to the reminiscent PbSe 2D character could be evidenced.     

Hydrogen on hybrid MoS2/graphene nanostructures

Transition metal dichalcogenides are rising candidates for the replacement of Pt catalysts in water splitting. In this theoretical study we focus on the hydrogen evolution reaction part of this process and on how hydrogen (H) interacts with MoS₂ nanostructures, free‐standing or positioned on a graphene substrate. Density functional theory calculations confirm the stability of such nanostructures and our results for H on several configurations, from 2D infinite monolayers to quasi‐1D MoS₂ ribbons and quasi‐0D MoS₂ flakes, are presented. We calculate the adsorption energy of H atoms on various sites of the MoS₂ nanostructures, notably at Mo and S active edges. Comparing free‐standing and MoS₂/graphene hybrid systems we find that the effect of the support on the adsorption of H on MoS₂ nanostructures is quite significant when the substrate induces strain. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Electronic transport properties of Co cluster-decorated graphene

Interactions of magnetic elements with graphene may lead to various electronic states that have potential applications.We report an in-situ experiment in which the quantum transport properties of graphene are measured with increasing cobalt coverage in continuous ultra-high vacuum environment. The results show that e-beam deposited cobalt forms clusters on the surface of graphene, even at low sample temperatures. Scattering of charge carriers by the absorbed cobalt clusters results in the disappearance of the Shubnikov–de Haas(Sd H) oscillations and the appearance of negative magnetoresistance(MR)which shows no sign of saturation up to an applied magnetic field of 9 T. We propose that these observations could originate from quantum interference driven by cobalt disorder and can be explained by the weak localization theory.     

Electronic transport for impurity-doped armchair-edge graphene nanoribbons

We investigate the electronic transport for an impurity-doped armchair-edge graphene nanoribbon (AGNR), with 7 or 8 dimer lines along zigzag direction, sandwiched between two normal leads. By using the standard nonequilibrium Green’s function technique, it is demonstrated that, the impurity influence on the transport properties for system with semiconducting 7-AGNR system is more sensitive than that for one with metallic 8-AGNR system in the vicinity of the impurity energy level. In particular, in the absence of impurity the density of states (DOS) and linear conductance G possess a small zero value interval for 7-AGNR system and a large nonzero plateau for 8-AGNR one, respectively. Interestingly, as impurity included the DOS and G show a single sharp resonant peak around the impurity energy level for 7-AGNR system due to resonant tunneling, while a small dip appears in the same position for 8-AGNR system due to the antiresonance states. Moreover, we have also inspected the behavior of the differential conductance upon varying the impurity concentration for the systems. The findings here may suggest it is more favorable to fabricate an electric switch with high on-off ratio by using an impurity-assisted semiconducting AGNR.     

Electronic transport properties on V-shaped-notched zigzag graphene nanoribbons junctions

Using nonequilibrium Green?s functions in combination with the density functional theory, the spin-dependent electronic transport properties on V-shaped notched zigzag-edged graphene nanoribbons junctions have been calculated. The results show that the electronic transport properties are strongly depending on the type of notch and the symmetry of ribbon. The spin-filter phenomenon and negative differential resistance behaviors can be observed. A physical analysis of these results is given.     

Transport in graphene nanostructures

Graphene nanostructures are promising candidates for future nanoelectronics and solid-state quantum information technology. In this review we provide an overview of a number of electron transport experiments on etched graphene nanostructures. We briefly revisit the electronic properties and the transport characteristics of bulk, i.e., two-dimensional graphene. The fabrication techniques for making graphene nanostructures such as nanoribbons, single electron transistors and quantum dots, mainly based on a dry etching ??paper-cutting?? technique are discussed in detail. The limitations of the current fabrication technology are discussed when we outline the quantum transport properties of the nanostructured devices. In particular we focus here on transport through graphene nanoribbons and constrictions, single electron transistors as well as on graphene quantum dots including double quantum dots. These quasi-one-dimensional (nanoribbons) and quasi-zero-dimensional (quantum dots) graphene nanostructures show a clear route of how to overcome the gapless nature of graphene allowing the confinement of individual carriers and their control by lateral graphene gates and charge detectors. In particular, we emphasize that graphene quantum dots and double quantum dots are very promising systems for spin-based solid state quantum computation, since they are believed to have exceptionally long spin coherence times due to weak spin-orbit coupling and weak hyperfine interaction in graphene.     

Thermal transport in semiconductor nanostructures,graphene,and related two-dimensional materials

We review experimental and theoretical results on thermal transport in semiconductor nanostructures(multilayer thin films, core/shell and segmented nanowires), single-and few-layer graphene, hexagonal boron nitride, molybdenum disulfide, and black phosphorus. Different possibilities of phonon engineering for optimization of electrical and heat conductions are discussed. The role of the phonon energy spectra modification on the thermal conductivity in semiconductor nanostructures is revealed. The dependence of thermal conductivity in graphene and related two-dimensional(2 D) materials on temperature, flake size, defect concentration, edge roughness, and strain is analyzed.     

Electronic and transport properties of boron-doped graphene nanoribbons

We report a spin polarized density functional theory study of the electronic and transport properties of graphene nanoribbons doped with boron atoms. We considered hydrogen terminated graphene (nano)ribbons with width up to 3.2 nm. The substitutional boron atoms at the nanoribbon edges (sites of lower energy) suppress the metallic bands near the Fermi level, giving rise to a semiconducting system. These substitutional boron atoms act as scattering centers for the electronic transport along the nanoribbons. We find that the electronic scattering process is spin-anisotropic; namely, the spin-down (up) transmittance channels are weakly (strongly) reduced by the presence of boron atoms. Such anisotropic character can be controlled by the width of the nanoribbon; thus, the spin-up and spin-down transmittance can be tuned along the boron-doped nanoribbons.     

锯齿型石墨纳米带叠层复合结的电子输运

基于紧束缚格林函数方法,研究了两半无限长锯齿型石墨纳米带叠层复合结的电子输运性质.结果表明,层间次近邻相互作用、叠层区长度及门电压对复合结的电子透射谱有重要调制作用.层间次近邻相互作用导致复合结的透射谱关于费米能呈现非对称性,与实验结果很好相符.低于费米能第一子能区内周期性出现透射系数为0和1的台阶,呈现全反射与透射现象.随散射结长度增加,透射系数在1内周期性振荡,呈现明显的量子干涉效应.在门电压调控下,低于费米能的透射系数出现了从1到0的转变,类似于开关效应.相关结果对基于石墨烯器件的设计与应用有指导意义.     

Electronic transport in dual-gated bilayer graphene at large displacement fields

We study the electronic transport properties of dual-gated bilayer graphene devices. We focus on the regime of low temperatures and high electric displacement fields, where we observe a clear exponential dependence of the resistance as a function of displacement field and density, accompanied by a strong nonlinear behavior in the transport characteristics. The effective transport gap is typically 2 orders of magnitude smaller than the optical band gaps reported by infrared spectroscopy studies. Detailed temperature dependence measurements shed light on the different transport mechanisms in different temperature regimes.     

Electronic transport of bilayer graphene with asymmetry line defects

In this paper,we study the quantum properties of a bilayer graphene with(asymmetry) line defects.The localized states are found around the line defects.Thus,the line defects on one certain layer of the bilayer graphene can lead to an electric transport channel.By adding a bias potential along the direction of the line defects,we calculate the electric conductivity of bilayer graphene with line defects using the Landauer-Biittiker theory,and show that the channel affects the electric conductivity remarkably by comparing the results with those in a perfect bilayer graphene.This one-dimensional line electric channel has the potential to be applied in nanotechnology engineering.     

Electronic transport through zigzag/armchair graphene nanoribbon heterojunctions

The electronic transport properties of a graphene nanoribbon (GNR) are known to be sensitive to its width, edges and defects. We investigate the electronic transport properties of a graphene nanoribbon heterojunction constructed by fusing a zigzag and an armchair graphene nanoribbon (zGNR/aGNR) side by side. First principles results reveal that the heterojunction can be either metallic or semiconducting, depending on the width of the nanoribbons. Intrinsic rectification behaviors have been observed, which are largely sensitive to the connection length between the zGNR and aGNR. The microscopic origins of the rectification behavior have been revealed. We find that the carrier type can alter from electrons to holes with the bias voltage changing from negative to positive; the asymmetrical transmission spectra of electrons and holes induced by the interface defects directly results in the rectification behavior. The results suggest that any methods which can enhance the asymmetry of the transmission spectra between holes and electrons could be used to improve the rectification behavior in the zGNR/aGNR heterojunction. Our findings could be useful for designing graphene based electronic devices.     

Electronic transport properties of graphene/Al2O3 (0001) interface

The electronic structure and transport properties of a single layer of graphene (Gr) on α-Al₂O₃ surface are studied using the density functional theory (DFT). We present three models that take into account the atom at the termination of the alumina surface: a) Al atoms, with the center of the Gr hexagon directly over an Al atom; b) Al atoms, with a carbon directly positioned above an Al atom; c) oxygen atoms. Two processes of geometric optimization were used: (i) All the atoms of the supercell were allowed to move in accordance with the BFGS quasi-Newton algorithm; (ii) The atoms of the three topmost layers of the α-Al₂O₃ (0001) slab, including the C atoms, were allowed to move, whereas the atoms of the remaining layers were frozen in their respective atomic bulk positions. The first two models preserve qualitatively the electronic structure of the pristine Gr using the geometric optimization process (i) whereas, in the third model this structure was lost due to a significant charge transfer between the carbon and oxygen atoms irrespective of the optimization procedure. However, models (a) and (b) with the optimization (ii) reveal a p-type semiconducting behavior.     

Electronic transport and quantum hall effect in bipolar graphene p-n-p junctions

We have developed a device fabrication process to pattern graphene into nanostructures of arbitrary shape and control their electronic properties using local electrostatic gates. Electronic transport measurements have been used to characterize locally gated bipolar graphene p-n-p junctions. We observe a series of fractional quantum Hall conductance plateaus at high magnetic fields as the local charge density is varied in the p and n regions. These fractional plateaus, originating from chiral edge states equilibration at the p-n interfaces, exhibit sensitivity to interedge backscattering which is found to be strong for some of the plateaus and much weaker for other plateaus. We use this effect to explore the role of backscattering and estimate disorder strength in our graphene devices.     

Secondary plasmon resonance in graphene nanostructures

The plasmon characteristics of two graphene nanostructures are studied using time-dependent density functional theory (TDDFT). The absorption spectrum has two main bands, which result from π and σ + π plasmon resonances. At low energies, the Fourier transform of the induced charge density maps exhibits anomalous behavior, with a π phase change in the charge density maps in the plane of the graphene and those in the plane 0.3 ? from the graphene. The charge density fluctuations close to the plane of the graphene are much smaller than those above and beneath the graphene plane. However, this phenomenon disappears at higher energies. By analyzing the electronic properties, we may conclude that the restoring force for the plasmon in the plane of the graphene does not result from fixed positive ions, but rather the Coulomb interactions with the plasmonic oscillations away from the plane of the graphene, which extend in the surface-normal direction. The collective oscillation in the graphene plane results in a forced vibration. Accordingly, the low-energy plasmon in the graphene can be split into two components: a normal component, which corresponds to direct feedback of the external perturbation, and a secondary component, which corresponds to feedback of the Coulombic interaction with the normal component.