Synthesis of Ag–decorated vertical graphene nanosheets and their electrocatalytic efficiencies

Herein, we report the successful preparation of Ag–decorated vertical–oriented graphene sheets (Ag/VGs) via helicon wave plasma chemical vapor deposition (HWP–CVD) and radio frequency plasma magnetron sputtering (RF–PMS). VGs were synthesized in a mixture of argon and methane (Ar/CH4) by HWP–CVD, and then the silver nanoparticles on the prepared VGs were modified using the RF-PMS system under different sputtering times and RF power levels. The morphology and structure of the Ag nanoparticles were characterized by scanning electron microscopy (SEM), and the results revealed that Ag nanoparticles were evenly dispersed on the mesoporous wall of the VGs. X-ray diffraction (XRD) results showed that the diameter of the Ag particles increased with the increase of silver loading, and the average size was between 10.49 nm and 25.9 nm, which were consistent with transmission electron microscopy (TEM) results. Ag/VGs were investigated as effective electrocatalysts for use in an alkaline aqueous system. Due to the uniquely ordered and interconnected wall structure of VGs, the area of active sites increased with the Ag loading, which made the Ag/VGs have high oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) performance. The double–layer capacitance (Cdl) of the Ag/VGs under different silver loadings were studied, and the results showed that highest silver content is the best (1.04 mF/cm2). The results showed that, Ag/VGs expected to be a credible electrocatalytic material.

Movement behavior of residual oil droplets and CO2: insights from molecular dynamics simulations

After primary and secondary recovery of tight reservoirs, it becomes increasingly challenging to recover the remaining oil. Therefore, improving the recovery of the remaining oil is of great importance. Herein, molecular dynamics simulation (MD) of residual oil droplet movement behavior under CO2 displacement was conducted in a silica nanopores model. In this research, the movement behavior of CO2 in contact with residual oil droplets under different temperatures was analyzed, and the distribution of molecules number of CO2 and residual oil droplets was investigated. Then, the changes in pressure, kinetic energy, potential energy, van der Waals' force, Coulomb energy, long-range Coulomb potential, bond energy, and angular energy with time in the system after the contact between CO2 and residual oil droplets were studied. At last, the g(r) distribution of CO2–CO2, CO2-oil molecules, and oil molecules-oil molecules at different temperatures was deliberated. According to the results, the diffusion of CO2 can destroy residual oil droplets formed by the n-nonane and simultaneously peel off the n-nonane molecules that attach to SiO2 and graphene nanosheets (GN). The cutoff radius r of the CO2–CO2 is approximately 0.255 nm and that of the C–CO2 is 0.285 nm. The atomic force between CO2 and CO2 is relatively stronger. There is little effect caused by changing temperature on the radius where the maximum peak occurs in the radial distribution function (RDF)-g(r) of CO2–CO2 and C–CO2. The maximum peak of g(r) distribution of the CO2–CO2 in the system declines first and then rises with increasing temperature, while that of g(r) distribution of C–CO2 changes in the opposite way. At different temperatures, after the peak of g(r), its curve decreases with the increase in radius. The coordination number around C9H20 decreases, and the distribution of C9H20 becomes loose.

Patterning Configuration of Surface Hydrophilicity by Graphene Nanosheet towards the Inhibition of Ice Nucleation and Growth

Freezing of liquid water occurs in many natural phenomena and affects countless human activities. The freezing process mainly involves ice nucleation and continuous growth, which are determined by the energy and structure fluctuation in supercooled water. Herein, considering the surface hydrophilicity and crystal structure differences between metal and graphene, we proposed a kind of surface configuration design, which was realized by graphene nanosheets being alternately anchored on a metal substrate. Ice nucleation and growth were investigated by molecular dynamics simulations. The surface configuration could induce ice nucleation to occur preferentially on the metal substrate where the surface hydrophilicity was higher than the lateral graphene nanosheet. However, ice nucleation could be delayed to a certain extent under the hindering effect of the interfacial water layer formed by the high surface hydrophilicity of the metal substrate. Furthermore, the graphene nanosheets restricted lateral expansion of the ice nucleus at the clearance, leading to the formation of a curved surface of the ice nucleus as it grew. As a result, ice growth was suppressed effectively due to the Gibbs–Thomson effect, and the growth rate decreased by 71.08% compared to the pure metal surface. Meanwhile, boundary misorientation between ice crystals was an important issue, which also prejudiced the growth of the ice crystal. The present results reveal the microscopic details of ice nucleation and growth inhibition of the special surface configuration and provide guidelines for the rational design of an anti-icing surface.