Related papers: Ab initio investigation of optical properties in t…
The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using {\it ab initio} density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a…
We present a theoretical study of the optical absorption spectrum of small boron-nitride and carbon nanotubes using time-dependent density-functional theory and the random phase approximation. Both for C and BN tubes, the absorption of…
In this work we probe the third-order non-linear optical property of graphene, hexagonal boron nitride and their heterostructure by the use of coherent anti-Stokes Raman Spectroscopy. When the energy difference of the two input fields match…
The possibility of modification of the local properties of hexagonal boron nitride (h-BN) by laser irradiation is investigated. Investigations conducted using both Raman spectroscopy and electrostatic force microscopy were performed. Laser…
Tin sulfide promises very interesting properties such as a high optical absorption coefficient and a small band gap, while being less toxic compared to other metal chalcogenides. However, the limitations in growing atomically thin…
Systematic exploration of amorphous ABC heterostructures revealed that nanoscale morphological modifications markedly improved their artificial bulk second-order susceptibility. These amorphous birefringent heterostructures were fabricated…
Nanoscrolls consist of sheets rolled up into a papyrus-like form. Their open ends produce great radial flexibility, which can be exploited for a large variety of applications, from actuators to hydrogen storage. They have been successfully…
We theoretically study the nonlinear optical response of ABC trilayer graphene with inversion symmetry broken by the application of a displacement field perpendicular to the trilayer. We show that rhombohedral trilayer graphene exhibits a…
We show that opacity of a clean multilayer graphene flake depends on the helicity of the circular polarized electromagnetic radiation. The effect can be understood in terms of the pseudospin selection rules for the interband optical…
We analyze optical absorption by atomically doped carbon nanotubes with a special focus on the frequency range close to the atomic transition frequency. We derive the optical absorbtion line-shape function and, having analyzed particular…
Two approaches (micro- and macro- investigations) are used to determine the dimension dependences of the optical parameters of the nanometer-scale layers of materials. It is shown that both an index of refraction and coefficient of…
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…
We systematically investigate the optical behaviors of an amorphous silicon solar cell based on a core-shell nanograting structure. The horizontally propagating Bloch waves and Surface Plasmon Polariton (SPP) waves lead to significant…
The impact of the edges and presence of dopants to the work function (WF) of graphene nanoribbons (GNR) and nanoflakes was studied by an ab initio approach. The strong dependence of the WF upon the GNR structure was found and a promising…
Spin-polarized first-principles calculations have been performed to tune the electronic and optical properties of graphene (G) and boron-nitride (BN) quantum dots (QDs) through molecular charge-transfer using Tetracyanoquinodimethane (TCNQ)…
The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…
Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigatethe structural and electronic…
We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of $\mathrm{H_{2}O}$ and $\mathrm{NH_3}$ molecules have been considered.…
The dramatic changes in electronic and magnetic properties are investigated using the first-principles calculations for (Cl, Br, I, At)-adsorbed graphene nanoribbons. The rich and unique features are clearly revealed in the adatom-dominated…
The linear and nonlinear optical properties in a three-dimensional anisotropic quantum dot subjected to a uniform magnetic field directed with respect to the $z-$axis have been investigated within the compact-density matrix formalism and…