Related papers: Negative differential resistance in molecular junc…
We study the effects of uniaxial strains on the transport properties of the graphene nanoribbons(GNRs) connected with two metallic leads in heterojunctions, using the transfer matrix method. Two typical GNRs with zigzag and armchair…
We present an analytical theory for the gate electrostatics and the classical and quantum capacitance of the graphene nanoribbons (GNRs) and compare it with the exact self-consistent numerical calculations based on the tight-binding…
Nonlocal electromagnetic effects of graphene arise from its naturally dispersive dielectric response. We present semi-analytical solutions of nonlocal Maxwell's equations for graphene nano-ribbons array with features around 100 nm, where we…
Designing molecular nanowires with high electrical conductance that facilitate efficient charge transport over long distances is highly desirable for future molecular-scale circuitry. However, most molecular wires act as tunnel barriers,…
Graphene nanodisk is a graphene derivative with a closed edge. The trigonal zigzag nanodisk with size $N$ has $N$-fold degenerated zero-energy states. We investigate electron-electron interaction effects in the zero-energy sector. We…
The next-nearest neighbor interaction (NNN) is included in a tight-binding calculation of the electronic spectrum and conductivity of doped graphene. As a result, we observe a wide variation of the conductivity behavior, since the Fermi…
Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen…
Combining experiment and theory, we investigate how the naturally created heterojunction at a graphene and metallic contact is modulated via interaction with molecular hydrogen (H2). Due to electrostatic interaction, a Cr/Au electrode…
Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport…
Thanks to their highly tunable band gaps, graphene nanoribbons (GNRs) with atomically precise edges are emerging as mechanically and chemically robust candidates for nanoscale light emitting devices of modulable emission color. While their…
The quantum transport via a donor (D)-bridge (B)-acceptor (A) single molecule is studied using density functional theory in conjunction with the Landauer-B\"{u}ttiker formalism. Asymmetric electrical response for opposite biases is observed…
Transport properties of molecular junctions are notoriously expensive to calculate with ab initio methods, primarily due to the semi-infinite electrodes. This has led to the introduction of different approximation schemes for the…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
The emergence of interference is observed in the resistance of a graphene annulus pn junction device as a result of applying two separate gate voltages. The observed resistance patterns are carefully inspected, and it is determined that the…
Transport in disordered armchair graphene nanoribbons (AGR) with long-range correlation between quantum wire contact is investigated by transfer matrix combined with Landauer's formula. Metal-insulator transition is induced by disorder in…
We have used molecular dynamics to calculate the thermal conductivity of symmetric and asymmetric graphene nanoribbons (GNRs) of several nanometers in size (up to ~4 nm wide and ~10 nm long). For symmetric nanoribbons, the calculated…
We investigate theoretically the electronic transport properties in narrow graphene ribbons with an adatom-induced defect. It is found that the lowest conductance step of a metallic graphene nanoribbon may develop a dip even down to zero at…
Negative differential conductance (NDC) is expected to be an essential property to realize fast switching in future electronic devices. We here present a thorough analysis on electron transportability of a simple atomic-scale model…
Current-controlled (also known as "S-type") negative differential resistance (NDR) is of crucial importance to many emerging applications including neuromorphic computing and high-density memristors integration. However, the experimental…
Materials and devices used in space and advanced energy systems are continuously exposed to high-energy photons and particles, leading to gradual changes in their structural and electronic properties. Gamma-ray exposure is particularly…