相关论文: Strain Engineering for Phosphorene: The Potential …
Graphene on noble-metal nanostructures constitutes an attractive nanocomposite with possible applications in sensors or energy conversion. In this work we study the properties of hybrid graphene/gold nanoparticle structures by Raman…
Elastic strain engineering utilizes stress to realize unusual material properties. For instance, strain can be used to enhance the electron mobility of a semiconductor, enabling more efficient solar cells and smaller, faster transistors. In…
In the search for new renewable energy to replace fossil fuels, Hydrogen is one of the most promising candidates for clean energy production. But cheap Hydrogen separation and storage is still a big challenge. Photoelectrochemical devices…
Atomically thin crystals have recently been the focus of attention in particular after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel material class the chemically derived graphenes have…
Using the density functional theory of electronic structure, we compute the anisotropic dielectric response of bulk black phosphorus subject to strain. Employing the obtained permittivity tensor, we solve Maxwell's equations and study the…
We have investigated the electronic structure of charged bilayer and trilayer phoshporene using first-principles, density-functional-theory calculations. We find that the effective dielectric constant for an external electric field applied…
Amongst the wide spectrum of potential applications of graphene, ranging from transistors and chemical-sensors to nanoelectromechanical devices and composites, the field of photonics and optoelectronics is believed to be one of the most…
Engineering the dispersion of light in a metasurface allows for controlling the light-matter interaction strength between light confined in the metasurface and materials placed within its near-field. Specifically, engineering a flatband…
Strain-engineered graphene has garnered much attention recently owing to the possibilities of creating substantial energy gaps enabled by pseudo-magnetic fields. While theoretical works proposed the possibility of creating large-area…
Recent reports on the fabrication of phosphorene, i.e., mono- or few-layer black phosphorus, have raised exciting prospects of an outstanding two-dimensional (2D) material that exhibits excellent properties for nanodevice applications. Here…
Single-layer graphene exhibits exceptional mechanical properties attractive for optomechanics: it combines low mass density, large tensile modulus, and low bending stiffness. However, at visible wavelengths, graphene absorbs weakly and…
Recently, the strain engineering of two-dimensional materials such as graphene has attracted considerable attention for its great potential in functional nanodevices. Here, we theoretically and experimentally investigate the strain…
We propose a novel excellent two-dimensional photocatalyst SnN3 monolayer using first-principles calculations. The stability of SnN3 monolayer have been examined via formation energy, phonon spectrum and ab initio molecular dynamics…
Phosphorene is a new two-dimensional material composed of a single or few atomic layers of black phosphorus. Phosphorene has both an intrinsic tunable direct band gap and high carrier mobility values, which make it suitable for a large…
Photoelectrochemical (PEC) water splitting to generate hydrogen is one of the most studied methods for converting solar energy into clean fuel because of its simplicity and potentially low cost. Despite over 40 years of intensive research,…
Layered two-dimensional materials have shown novel optoelectronic properties and are well suited to be integrated in planar photonic circuits. For example, graphene has been utilized for wideband photodetection. Because graphene lacks a…
Strain effects on the stability, electronic structure, and hydrogen storage capacity of lithium-doped graphane (CHLi) have been investigated by stateof-the art first principle density functional theory (DFT). Molecular dynamics MD)…
Regio-regular poly(3-hexylthiophene-2,5-diyl) (rr-P3HT), the work-horse of organic photovoltaics, has been recently exploited in bulk heterojunction (BHJ) configuration with phenyl-C61-butyric acid methyl ester (PCBM) for solution-processed…
Flexoelectricity phenomenon is the response of electric polarization to an applied strain gradient and is developed as a consequence of crystal symmetry in all materials. In this study, we show that the presence of strain gradient in…
Photocatalytic water splitting is a promising strategy for large-scale clean energy production. However, efficient and low-cost solid-state photocatalysts are still lacking. We present here first-principles calculations to investigate the…