In this work, electronic and structural properties of single Al or N atom doped and Al-N co-
doped graphyne (GY) toward hydrogen storage were investigated using DFT-D calculations …

Adsorption of impurity atoms or molecules on the surface of photocatalysts may improve or
worsen the photocatalytic activity due to chemical bond relaxations. Herein, we demonstrate …

Atomic force microscopy (AFM) is a commonly used technique for graphene thickness
measurement. However, due to surface roughness caused by graphene itself and variation …

Hydrogen storage capacities have been studied on newly designed three-dimensional
pillared boron nitride (PBN) and pillared graphene boron nitride (PGBN). We propose these …

Doping and stability of monolayer low defect content graphene transferred on a silicon
dioxide substrate on silicon are investigated by micro-Raman spectroscopy and atomic force …

In this work the interaction of nitrogen molecule placed inside and outside (2, 2) pristine
graphyne nanotube (PGNT) and doped graphyne nanotube (DGNT; D= Si, Al) have been …

First principles DFT calculations have been performed to investigate the geometrical and
electronic properties, and charge transfer mechanism of different impurities doped/adsorbed …

Two-dimensional (2D) crystals with C2N stoichiometry have recently been synthesized. This
novel material, dubbed nitrogenated holey graphene (NHG), is a semiconductor unlike …

Fluorinated graphenes (FGs) are key precursors for the synthesis of many graphene
derivatives that significantly expand the application potential of graphene-based materials …

Graphene, being a gapless semiconductor, cannot be used in pristine form for
optoelectronic applications such as solar cells. Therefore, it is necessary to tune a band-gap …