Ultrasound-assisted bottom-up synthesis of Ni-graphene hybrid composites and their excellent rhodamine B removal properties.

In this paper, a facile one-pot bottom-up approach has been developed for the rapid preparation (≤5 min) of graphene nanostructures and Ni-graphene hybrid composites. Under the aid of ultrasonic irradiation, the graphene nanostructures were prepared via reducing hexachloro-benzene(C6Cl6) with sodium (Na) in non-polar organic solvent n-tetradecane (C14H30). On the basis of this route, the Ni-graphene hybrid composites were easily synthesized by adding Ni nanoparticles (NPs) into reaction system. The whole reaction was carried out at low temperature (100-120 °C) and in air atmosphere. Despite the absence of nitrogen protection, the result from surface analysis still shows a relatively high C/O ratio (10:1). The effect of the Ni NPs content and size on the specific surface area (SSA) of the products is also investigated. The synthesized samples exhibit large SSA, which is significantly affected by the Ni NPs content rather than their size. The adsorption performances of the samples are evaluated for the removal of organic dyes such as rhodamine B (RhB) from aqueous solutions. The testing results show great adsorption capacity (qmax = 963.04 mg g-1), rapid adsorption rate (~99.88%, 2 min), high adsorption efficiency (>99.7%) and good chemical stability in a wide pH range (3-13), high salt tolerance (>80 mg mL-1), and good recyclability (>99.5%, 20 cycles).

Thermal Expansion and Thermal Conductivity of Ni/Graphene Composite: Molecular Dynamics Simulation.

In the present work, the thermal conductivity and thermal expansion coefficients of a new morphology of Ni/graphene composites are studied by molecular dynamics. The matrix of the considered composite is crumpled graphene, which is composed of crumpled graphene flakes of 2-4 nm size connected by van der Waals force. Pores of the crumpled graphene matrix were filled with small Ni nanoparticles. Three composite structures with different sizes of Ni nanoparticles (or different Ni content-8, 16, and 24 at.% Ni) were considered. The thermal conductivity of Ni/graphene composite was associated with the formation of a crumpled graphene structure (with a high density of wrinkles) during the composite fabrication and with the formation of a contact boundary between the Ni and graphene network. It was found that, the greater the Ni content in the composite, the higher the thermal conductivity. For example, at 300 K, λ = 40 W/(mK) for 8 at.% Ni, λ = 50 W/(mK) for 16 at.% Ni, and λ = 60 W/(mK) for 24 at.% Ni. However, it was shown that thermal conductivity slightly depends on the temperature in a range between 100 and 600 K. The increase in the thermal expansion coefficient from 5 × 10-6 K-1, with an increase in the Ni content, to 8 × 10-6 K-1 is explained by the fact that pure Ni has high thermal conductivity. The results obtained on thermal properties combined with the high mechanical properties of Ni/graphene composites allow us to predict its application for the fabrication of new flexible electronics, supercapacitors, and Li-ion batteries.

Crumpled Graphene-Storage Media for Hydrogen and Metal Nanoclusters.

Understanding the structural behavior of graphene flake, which is the structural unit of bulk crumpled graphene, is of high importance, especially when it is in contact with the other types of atoms. In the present work, crumpled graphene is considered as storage media for two types of nanoclusters-nickel and hydrogen. Crumpled graphene consists of crumpled graphene flakes bonded by weak van der Waals forces and can be considered an excellent container for different atoms. Molecular dynamics simulation is used to study the behavior of the graphene flake filled with the nickel nanocluster or hydrogen molecules. The simulation results reveal that graphene flake can be considered a perfect container for metal nanocluster since graphene can easily cover it. Hydrogen molecules can be stored on graphene flake at 77 K, however, the amount of hydrogen is low. Thus, additional treatment is required to increase the amount of stored hydrogen. Remarkably, the size dependence of the structural behavior of the graphene flake filled with both nickel and hydrogen atoms is found. The size of the filling cluster should be chosen in comparison with the specific surface area of graphene flake.

Effect of Nanoparticle Size on the Mechanical Strength of Ni-Graphene Composites.

The effect of the size of nickel nanoparticles on the fabrication of a Ni-graphene composite by hydrostatic pressure at 0 K followed by annealing at 1000 and 2000 K is studied by molecular dynamics simulation. Crumpled graphene, consisting of crumpled graphene flakes interconnected by van der Waals forces is chosen as the matrix for the composite and filled with nickel nanoparticles composed of 21 and 47 atoms. It is found that the main factors that affect composite fabrication are nanoparticle size, the orientation of the structural units, and temperature of the fabrication process. The best stress-strain behavior is achieved for the Ni/graphene composite with Ni47 nanoparticle after annealing at 2000 K. However, all of the composites obtained had strength property anisotropy due to the inhomogeneous distribution of pores in the material volume.

Synthesis of Ni/Graphene Nanocomposite for Hydrogen Storage.

We have designed a Ni-graphene composite for hydrogen storage with Ni nanoparticles of 10 nm in size, uniformly dispersed over a graphene substrate. This system exhibits attractive features like high gravimetric density, ambient conditions, and low activation temperature for hydrogen release. When charged at room temperature and an atmospheric hydrogen pressure of 1 bar, it could yield a hydrogen capacity of 0.14 wt %. When hydrogen pressure increased to 60 bar, the sorbent had a hydrogen gravimetric density of 1.18 wt %. The hydrogen release could occur at an operating temperature below 150 °C and completes at 250 °C.