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We revisit the quasi-equilibrium adsorption method as an inexpensive alternative to commercial volumetric apparatus for the measurement of gas adsorption isotherms. This method is based on how the pressure of a manifold containing the sample increases as a function of time when an adsorbing gas is introduced. We show that, under certain conditions, it is not necessary to employ ultra-low flow rates...
Carbide-derived carbons (CDCs) are nanoporous carbons with a tunable pore size, making them desirable for their adsorption properties. Despite their applicability, reliable structural models are difficult to construct due to the interplay between strong short-range order and long-range disorder. Here, a mimetic methodology is developed to generate atomistic models of CDCs using Molecular Dynamics...
Rapidly growing research on biomass reactivity has not benefited enough from the very abundant knowledge acquired on coal-derived materials. Literature comparisons using similar methods are scant and inconclusive. To clarify differences (or similarities) between coal- and biomass-derived chars, we performed a systematic study using three different carbon-based solids at different stages of coalification...
We have developed a laser-induced chemical vapor deposition (LCVD) method for preparing nanocarbons with the aid of SF6. This method would offer advantages for the production of aggregates of nanoscale foams (nanofoams) at high rates. Pyrolysis of the as-grown nanofoams induced the high surface area (1120m2g−1) and significantly enhanced the adsorption of supercritical H2 (16.6mgg−1 at 77K and 0.1MPa)...
Deposited and heat-treated phthalocyanines are promising electrocatalysts for replacing platinum in the oxygen reduction reaction (ORR), the most important process in energy conversion systems such as fuel cells; and yet its key mechanistic features are not well understood. To optimize their use, it is necessary to understand their behavior in the absence of an electric field. In the pursuit of this...
It is now a widely accepted fact that oxidized graphene surfaces are populated, to a greater or lesser extent, with epoxide groups. And yet the origin of these groups has heretofore been mysterious. We report the results of a computational (DFT) analysis of this issue carried out by combining the theoretical and experimental knowledge of three seemingly unrelated fundamental processes: (i) formation...
Thermodynamic affinities, activation energies and diffusion coefficients for oxygen mobility on the graphene surface are calculated using density functional theory (DFT). We report and discuss the effects of geometry, charge distribution and heteroatom substitution on the migration of epoxy oxygen on the basal plane: both the driving force and the ease of surface hopping are very sensitive to their...
When studying the ubiquitous and practically significant phenomena of annealing or aging of carbon materials, it is instructive to distinguish the reduction of site (re)activity from a decrease in the concentration of (re)active sites. While the latter has been analyzed extensively for different carbon precursors and heating rates, the former – being more complex even though it can occur at constant...
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