Multiwalled carbon nanotubes/Pd nanoparticles (CNT/Pd) were prepared by different four synthesis techniques. After the chemical oxidation of CNTs, the infrared absorption data indicated the existence of several functional groups loaded on the CNTs surfaces. The first Pd deposition technique went through the processes of Sn sensitization and Pd deposition on the functionalized surfaces of CNTs. The second method was Pd deposition by polyol process. The third method was Pd deposition using hydrazine in acidic media. In the fourth method, fourth generation poly(amidoamine) dendrimer and sodium borohydride were used as an intermediator between Pd and the surfaces of CNTs and as a reducing agent of the palladium chloride, respectively. It was observed from transmission electron microscope analysis of the produced CNT/Pd nanoparticles that the Pd particles on the CNTs prepared by the fourth method had the smallest average particle size of 3 nm. The Pd contents in the produced CNT/Pd nanocomposite powders were determined by thermogravimetric analysis.

Under the COMPASS (condensed-phase optimized molecular potentials for atomistic simulation studies) force field, the molecular dynamics (MD) simulation was applied to first-to-third generation nanosize amine-based and butanediamine-based graphite/dendrimers composites. In this paper, we briefly introduced the constructive process of the composite system by means of MD simulation. The stability and mechanism of six intercalation composites were studied with microcosmic figure and variational energy under the invariable NVT ensemble. The energy variety was analyzed using the radial distribution function. The results indicate that the bulk of the dendrimer is small, the graphite layer is easy to bend and its systematic total energy is higher, which lead to the instability of the composite system. Therefore, the 3G dendrimer is the most stable system.