相关论文: Phosphorene Nanoribbon Based Nano-Electrodes for E…

We study the effects of a vertical electric field on the electronic band structure and transport in multilayer phosphorene and its nanoribbons. In phosphorene, at a critical value of the vertical electric field ($E_c$), the band gap closes…

First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly…

Phononic properties are commonly studied by calculating force constants using the density functional theory (DFT) simulations. Although DFT simulations offer accurate estimations of phonon dispersion relations or thermal properties, but for…

Plasmonic nano structures such as wire waveguides or antennas are key building blocks for novel highly integrated photonics. A quantitative understanding of the optical material properties of individual structures on the nanoscale is thus…

Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…

The structural stability, electronic properties and NH$_3$ adsorption properties of pristine, Ti, Zr and F substituted $\alpha$-MoO$_3$ nanostructures are successfully studied using density functional theory with B3LYP/LanL2DZ basis set.…

We simulate quantum transport between a graphene nanoribbon (GNR) and a single-walled carbon nanotube (CNT) where electrons traverse vacuum gap between them. The GNR covers CNT over a nanoscale region while their relative rotation is 90…

Nanometer-scale graphene objects are attracting much research interest because of newly emerging properties originating from quantum confinement effects. We present Raman spectroscopy studies of graphene nanoribbons (GNRs) which are known…

Crucial to analyze phenomena as varied as plasmonic hot spots and the spread of cancer in living tissue, nanoscale thermometry is challenging: probes are usually larger than the sample under study, and contact techniques may alter the…

Optical-field emission from nanostructured solids such as subwavelength nanoantennas can be leveraged to create sub-femtosecond, PHz-scale electronics for optical-field detection. One application that is of particular interest is the…

Interfaces play a crucial role in determining the overall performance and functionality of electronic devices and systems. Driven by the data science, machine learning (ML) reveals excellent guidance for material selection and device…

Atomic Force Microscopy (AFM) allows to probe matter at atomic scale by measuring the perturbation of a nanomechanical oscillator induced by near-field interaction forces. The quest to improve sensitivity and resolution of AFM has forced…

Surface characterizations of an organophosphorus (OP) gas detector based on chemically functionalized silicon nanoribbon field-effect transistor (SiNR-FET) were performed by Kelvin Probe Force Microscopy (KPFM) and ToF-SIMS, and correlated…

The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the…

With the advent of new synthesis and large-scale production technologies, nanostructured gas-adsorbent materials (GAM) like carbon nanocomposites and metal-organic frameworks are becoming increasingly more influential in our everyday lives.…

The electronic structure and size-scaling of optoelectronic properties in cycloparaphenylene carbon nanorings are investigated using time-dependent density functional theory (TDDFT). The TDDFT calculations on these molecular nanostructures…

Phosphorene is a recently developed two-dimensional (2D) material that has attracted tremendous attention because of its unique anisotropic optical properties and quasi-one-dimensional (1D) excitons. We use first-principles calculations…

Tunneling field-effect transistors (FETs) have been intensely explored recently due to its potential to address power concerns in nanoelectronics. The recently discovered graphene nanoribbon (GNR) is ideal for tunneling FETs due to its…

Avalanche photodetectors (APDs) are key components in optical communication systems due to their increased photocurrent gain and short response time as compared to conventional photodetectors. A detector design where the multiplication…

We report the electronic properties of two-dimensional systems made of graphene nanoribbons which are patterned with ad-atoms in two separated regions. Due to the extra electronic confinement induced by the presence of the impurities, we…