Hydrogenation of free-standing silicene, the two-dimensional allotrope of silicon, is investigated in detail using first-principles methods and compared with the adsorption of H atoms on graphene. Similarly to graphene, chemisorption of a single H atom on silicene induces the formation of a semilocalized state around the adatom, a sharp peak in the density of states at the Fermi level which act...

Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO(2) substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various interactions between edge-hydrogenated ZGNRs and different SiO(2)(0001) surfaces. Bivalent functional groups decorating ZGNRs serve as the bridge between active edges...

A composite of modified graphene and LiFePO4 has been developed to improve the speed of charging-discharging and the cycling stability of lithium ion batteries using LiFePO4 as a cathode material. Chemically activated graphene (CA-graphene) has been successfully synthesized via activation by KOH. The as-prepared CA-graphene was mixed with LiFePO4 to prepare the composite. Microscopic observatio...

We studied the self-assembly of trimesic acid on single- and few-layer graphene supported by SiO2 substrates. A scanning tunneling microscope operated under ambient conditions was utilized to image supramolecular networks of trimesic acid at liquid-graphene interfaces. Trimesic acid can self-assemble into large-scale, highly ordered adlayers on graphene surfaces. Phase transition of the trimesi...

Vanadium-doped magnesium nanostructures are fabricated by an oblique angle co-deposition method and hydrogenated/dehydrogenated for 21 cycles. The effective thermal conductivity and density of the MgH2 nanostructures is measured by using a photothermal system. A multilayer physical model is used to fit the experimental data. Our results show that the effective thermal conductivity of the hydrog...

Nuclear magnetic resonance (NMR) data for graphenes are mainly lacking in the literature. We provide quantitative first-principles quantum-chemical calculations of NMR chemical shifts and shielding anisotropies as well as spin-spin couplings and anisotropies for increasingly large, hexagon-like fragments of graphene, hydrogenated graphene (graphane) and fluorinated graphene (fluorographene). Du...

In this study, the energy loss near edge structure (ELNES) of carbon atoms in chair and tricycle conformers of hydrogenated graphene, namely 'graphane', has been calculated in the density functional theory using FP-LAPW method, and then, it has been compared with that of graphite and graphene. Using ELNES from chair conformer, the carbon K-edge was found to have a few main features including el...

Particular N, S co-doped graphene/Fe3O4 hybrids have been successfully synthesized by the combination of a simple hydrothermal process and a subsequent carbonization heat treatment. The nanostructures exhibit a unique composite architecture, with uniformly dispersed Fe3O4 nanoparticles and N, S co-doped graphene encapsulant. The particular porous characteristics with many meso/micro holes/pores...

Flat-band physics has attracted much attention in recent years because of its interesting properties and important applications. Some typical lattices have been proposed to generate flat bands, such as Kagome Lieb lattices. The bands these contact with other rather than being isolated. However, an ideal band should be isolated, isolation is a prerequisite for number Here, we propose lattice tha...

Abstract The MOCVD growth of Ga and In microparticles was performed on graphene/SiC substrates. test effectiveness the grown for SERS based observation H–Si vibrations hydrogenated graphene SiC. It shown by scanning electron microscopy that or were in form hemispheres with a flat side attached to substrate. Raman measurements have effective signal arises at edges hemisphere microparticles. addi...