We propose a class of semiconducting graphene-based nanostructures: hydrogenated graphene nanoripples (HGNRs), based on continuum-mechanics analysis and first-principles calculations. They are formed via a twostep combinatorial approach: first by strain-engineered pattern formation of graphene nanoripples, followed by a curvature-directed self-assembly of H adsorption. It offers a high level of...

Spin-dependent features in the conductivity of graphene, chemically modified by a random distribution of hydrogen adatoms, are explored theoretically. The spin effects are taken into account using a mean-field self-consistent Hubbard model derived from first-principles calculations. A Kubo transport methodology is used to compute the spin-dependent transport fingerprints of weakly hydrogenated ...

A simple ice-templated self-assembly process is used to prepare a three-dimensional (3D) and vertically porous nanocomposite of layered vanadium phosphates (VOPO4) and graphene nanosheets with high surface area and high electrical conductivity. The resulting 3D VOPO4-graphene nanocomposite has a much higher capacitance of 527.9 F g(-1) at a current density of 0.5 A g(-1), compared with ~247 F g...

Using first principle methods, we study the mechanical properties of monolayer and bilayer graphene with 50% and 100% coverage of hydrogen. We employ the vdW-DF, vdW-DF-C09x, and vdW-DF2-C09x van der Waals functionals for the exchange correlation interactions that give significantly improved interlayer spacings and energies. We also use the PBE form for the generalized gradient corrected exchan...

We report an investigation into the magnetic and electronic properties of partially hydrogenated vertically aligned few layers graphene (FLG) synthesized by microwave plasma enhanced chemical vapor deposition. The FLG samples are hydrogenated at different substrate temperatures to alter the degree of hydrogenation and their depth profile. The unique morphology of the structure gives rise to a u...

Hydrogenation is an effective way to modify the electronic and magnetic properties of graphene. The semi-hydrogenated graphene, known as "graphone", has promising applications in nanoelectronics including field-effect transistors. However, the elastic limit of this two-dimensional material remains unknown despite its importance in applications as well as strain engineering to tailor functions a...

Graphene-based three-dimensional porous macrostructures are believed of great importance in various applications, e.g. supercapacitors, photovoltaic cells, sensors and high-efficiency sorbents. However, to precisely control the microstructures and properties of this material to meet different application requirements in industrial practice remains challenging. We herein propose a facile and hig...

Interaction between graphene and semiconducting diamond substrate has been examined with large-scale density functional theory calculations. Clean and hydrogenated diamond (100) and (111) surfaces have been studied. It turns out that weak van der Waals interactions dominate for graphene on all these surfaces. High carrier mobility of graphene is almost not affected, except for a negligible ener...

In this study at first, in laboratory, three types of vanadium oxide were produced by using porous graphene and amine framework in hydrothermal method nanostructures such as: vanadium oxide - octadecyl amine - graphene, vanadium oxide - dodecyl amine - graphene and vanadium oxide – aniline - graphene (V-ODA-G، V-DDA-G، V-A-G). Then their structures and functions in propane dehydrogenation react...