Search Results (7)

In this study, we investigate the charge transport properties of semiconducting armchair graphene nanoribbons (AGNRs) and heterostructures through their topological states (TSs), with a specific focus on the Coulomb blockade region. Our approach employs a two-site Hubbard model that takes into account both intra- and inter-site Coulomb interactions. Using this model, we calculate the electron thermoelectric coefficients and tunneling currents of serially coupled TSs (SCTSs). In the linear response regime, we analyze the electrical conductance ($G_e$), Seebeck coefficient (S), and electron thermal conductance (${\kappa }_e$) of finite AGNRs. Our results reveal that at low temperatures, the Seebeck coefficient is more sensitive to many-body spectra than electrical conductance. Furthermore, we observe that the optimized S at high temperatures is less sensitive to electron Coulomb interactions than $G_e$ and ${\kappa }_e$. In the nonlinear response regime, we observe a tunneling current with negative differential conductance through the SCTSs of finite AGNRs. This current is generated by electron inter-site Coulomb interactions rather than intra-site Coulomb interactions. Additionally, we observe current rectification behavior in asymmetrical junction systems of SCTSs of AGNRs. Notably, we also uncover the remarkable current rectification behavior of SCTSs of 9-7-9 AGNR heterostructure in the Pauli spin blockade configuration. Overall, our study provides valuable insights into the charge transport properties of TSs in finite AGNRs and heterostructures. We emphasize the importance of considering electron–electron interactions in understanding the behavior of these materials. Full article

All-carbon systems have proven to present interesting transport properties and are often used in electronic devices. Motivated by recent resonant responses measured on graphene/fullerene junction, we propose coupled nanoribbons/carbon-nanotube heterostructures for use as charge filters and to allow tuned transport. These hybrid systems are engineered as a four-terminal device, and we explore multiple combinations of source and collector leads. The armchair-edge configuration results in midgap states when the transport is carried through top/bottom terminals. Such states are robust against the lack of perfect order on the tube and are revealed as sharp steps in the characteristic current curves when a bias potential is turned on. The zigzag-edge systems exhibit differential negative resistance, with features determined by the details of the hybrid structures. Full article

At present, the combination of 2D materials of different types of conductivity in the form of van der Waals heterostructures is an effective approach to designing electronic devices with desired characteristics. In this paper, we design novel van der Waals heterostructures by combing buckled triangular borophene (tr-B) and graphene-like gallium nitride (GaN) monolayers, and tr-B and zinc oxide (ZnO) monolayers together. Using ab initio methods, we theoretically predict the structural, electronic, and electrically conductive properties of tr-B/GaN and tr-B/ZnO van der Waals heterostructures. It is shown that the proposed atomic configurations of tr-B/GaN and tr-B/ZnO heterostructures are energetically stable and are characterized by a gapless band structure in contrast to the semiconductor character of GaN and ZnO monolayers. We find the phenomenon of charge transfer from tr-B to GaN and ZnO monolayers, which predetermines the key role of borophene in the formation of the features of the electronic structure of tr-B/GaN and tr-B/ZnO van der Waals heterostructures. The results of the calculation of the current–voltage (I–V) curves reveal that tr-B/GaN and tr-B/ZnO van der Waals heterostructures are characterized by the phenomenon of current anisotropy: the current along the zigzag edge of the ZnO/GaN monolayers is five times greater than along the armchair edge of these monolayers. Moreover, the heterostructures show good stability of current to temperature change at small voltage. These findings demonstrate that r-B/GaN and tr-B/ZnO vdW heterostructures are promising candidates for creating the element base of nanoelectronic devices, in particular, a conducting channel in field-effect transistors. Full article

To facilitate the rapid development of van der Waals materials and heterostructures, scanning probe methods capable of nondestructively visualizing atomic lattices and moiré superlattices are highly desirable. Lateral force microscopy (LFM), which measures nanoscale friction based on the commonly available atomic force microscopy (AFM), can be used for imaging a wide range of two-dimensional (2D) materials, but imaging atomic lattices using this technique is difficult. Here, we examined a number of the common challenges encountered in LFM experiments and presented a universal protocol for obtaining reliable atomic-scale images of 2D materials under ambient environment. By studying a series of LFM images of graphene and transition metal dichalcogenides (TMDs), we have found that the accuracy and the contrast of atomic-scale images critically depended on several scanning parameters including the scan size and the scan rate. We applied this protocol to investigate the atomic structure of the ripped and self-folded edges of graphene and have found that these edges were mostly in the armchair direction. This finding is consistent with the results of several simulations results. Our study will guide the extensive effort on assembly and characterization of new 2D materials and heterostructures. Full article

Using the tight-binding approach, we study the band gaps of boron nitride (BN)/ graphene nanoribbon (GNR) planar heterostructures, with GNRs embedded in a BN sheet. The width of BN has little effect on the band gap of a heterostructure. The band gap oscillates and decreases from 2.44 eV to 0.26 eV, as the width of armchair GNRs, $n_A$, increases from 1 to 20, while the band gap gradually decreases from 3.13 eV to 0.09 eV, as the width of zigzag GNRs, $n_Z$, increases from 1 to 80. For the planar heterojunctions with either armchair-shaped or zigzag-shaped edges, the band gaps can be manipulated by local potentials, leading to a phase transition from semiconductor to metal. In addition, the influence of lattice mismatch on the band gap is also investigated. Full article

To suppress the volume expansion and thus improve the performance of antimonene as a promising anode for lithium-ion batteries, we have systematically studied the stability, structural and electronic properties of the antimonene capped with graphene (G/Sb heterostructure) upon the intercalation and diffusion of Li atoms by first-principles calculations based on van der Waals (vdW) corrected density functional theory. G/Sb exhibits higher Young’s modulus (armchair: 145.20, zigzag: 144.36 N m⁻¹) and improved electrical conductivity (bandgap of 0.03 eV) compared with those of antimonene. Li favors incorporating into the interlayer region of G/Sb rather than the outside surfaces of graphene and antimonene of G/Sb heterostructure, which is caused by the synergistic effect. The in-plane lattice constants of G/Sb heterostructure expand only around 4.5%, and the interlayer distance of G/Sb increases slightly (0.22 Å) at the case of fully lithiation, which indicates that the capping of graphene on antimonene can effectively suppress the volumetric expansion during the charging process. Additionally, the hybrid G/Sb heterostructure has little influence on the migration behaviors of Li on the outside of graphene and Sb surfaces compared with their free-standing monolayers. However, the migration energy barrier for Li diffusion in the interlayer region (about 0.59 eV) is significantly affected by the geometry structure, which can be reduced to 0.34 eV simply by increasing the interlayer distance. The higher theoretical specific capacity (369.03 mAh g⁻¹ vs 208 mAh g⁻¹ for antimonene monolayer) and suitable open circuit voltage (from 0.11 V to 0.89 V) of G/Sb heterostructure are beneficial for anode materials of lithium-ion batteries. The above results reveal that G/Sb heterostructure may be an ideal candidate of anode for high recycling–rate and portable lithium-ion batteries. Full article

Graphene, as a typical two-dimensional nanometer material, has shown its unique application potential in electrical characteristics, thermal properties, and thermoelectric properties by virtue of its novel electronic structure. The field of traditional material modification mainly changes or enhances certain properties of materials by mixing a variety of materials (to form a heterostructure) and doping. For graphene as well, this paper specifically discusses the use of traditional modification methods to improve graphene’s electrical and thermoelectrical properties. More deeply, since graphene is an atomic-level thin film material, its shape and edge conformation (zigzag boundary and armchair boundary) have a great impact on performance. Therefore, this paper reviews the graphene modification field in recent years. Through the change in the shape of graphene, the change in the boundary structure configuration, the doping of other atoms, and the formation of a heterostructure, the electrical, thermal, and thermoelectric properties of graphene change, resulting in broader applications in more fields. Through studies of graphene’s electrical, thermal, and thermoelectric properties in recent years, progress has been made not only in experimental testing, but also in theoretical calculation. These aspects of graphene are reviewed in this paper. Full article