Related papers: Gas adsorption effects on electronic and magnetic …
Grand Canonical Monte Carlo (GCMC) simulations are performed to study hydrogen physisorption in different nano carbon porous materials made up of different substructures including carbon nanotubes (CNT), graphene sheets and C60. Hydrogen…
Due to the presence of strong static correlation effects and noncovalent interactions, accurate prediction of the electronic and hydrogen storage properties of Li-adsorbed acenes with n linearly fused benzene rings (n = 3 - 8) has been very…
Excitons hosted by GaN/(Al,Ga)N quantum wells (QWs) are spatially indirect due to the giant built-in electric field that separates electrons and holes along the growth direction. This electric field, and thus exciton energy, can be reduced…
In this work, we investigate the adsorption of a single cobalt atom (Co) on graphene by means of the complete active space self-consistent field approach, additionally corrected by the second-order perturbation theory. The local structure…
The anchoring of benzene molecules on lithium adsorption sites at the surface of graphene and nanoribbons thereof are investigated. The effects of adsorbate densities, specific adsorption locations, and spin states on the structural…
Molecular adsorption is pivotal in device fabrication and material synthesis for quantum technology. However, elucidating the behavior of physisorption poses technical challenges. Here graphene with ultrahigh sensitivity was utilized to…
In the fractional quantum Hall effect regime we measure diagonal ($\rho_{xx}$) and Hall ($\rho_{xy}$) magnetoresistivity tensor components of two-dimensional electron system (2DES) in gated GaAs/Al$_{x}$Ga$_{1-x}$As heterojunctions,…
Adsorption of a molecule or group with an atom which is less electronegative than oxygen (O) and directly interacting with the surface is very relevant to development of PtM (M=3d-transition metal) catalysts with high activity. Here, we…
Sorption and the subsequent desorption of 4He, H2,Ne, N2, CH4 and Kr gas impurities by graphene oxide (GO), glucose-reduced GO (RGO-Gl) and hydrazine-reduced GO (RGO-Hz) powders have been investigated in the temperature interval 2-290 K. It…
We discuss Molecular Dynamics (MD) computer simulations of tetracosane (C24H50) monolayer physisorbed onto a graphite surface. The alkane molecules are simulated with explicit hydrogens, and the graphite substrate is represented as an…
Realization of graphene moir\'e superstructures on the surface of 4d and 5d transition metals offers templates with periodically modulated electron density, which is responsible for a number of fascinating effects, including the formation…
Light absorption in graphene causes a large change in electron temperature, due to low electronic heat capacity and weak electron phonon coupling [1-3], making it very attractive as a hot-electron bolometer material. Unfortunately, the weak…
The studies of the nonlinear optical (NLO) properties of the transition metal dichalcogenides (TMDs) coupled with photoactive particles, plasmonic nanocavities, waveguides, and metamaterials remain in their infancy. This study investigates…
We study electromagnetic properties of a double layer graphene system in which electrons from one layer are coupled with holes from the other layer. The gauge invariant linear response functions are obtained. The frequency dependences of…
Atomically thin transition metal dichalcogenides (TMDs) are ideal candidates for ultrathin optoelectronics that is flexible and semitransparent. Photodetectors based on TMDs show remarkable performance, with responsivity and detectivity…
We show that a graphene sheet perforated with micro- or nano-size antidots have prominent absorption resonances in the microwave and terahertz regions. These resonances correspond to surface plasmons of a continuous sheet "perturbed" by a…
Interfaces formed between monolayer transition metal dichalcogenides (TMDs) and (metallo)phthalocyanine molecules are promising in energy applications and provide a platform for studying mixed-dimensional molecule-semiconductor…
Recently, modulation of the energy bandgap of graphene when gas molecules are adsorbed to its surface has been proved to be possible. Motivated by this, based on numerical calculations, we investigate the effect of the associated bandgap…
We present a systematic investigation of molecule-metal interactions for transition-metal phthalocyanines (TMPc, with TM = Fe, Co, Ni, Cu) adsorbed on Ag(100). Scanning tunneling spectroscopy and density functional theory provide insight…
Graphene is a single layer of covalently bonded carbon atoms, which was discovered only 8 years ago and yet has already attracted intense research and commercial interest. Initial research focused on its remarkable electronic properties,…