Publications by authors named "Cristian I Contescu"

This manuscript provides raw nitrogen gas adsorption data, images and videos obtained from a technique that combines Focused Ion Beam (FIB) and Scanning Electron Microscopy (SEM) known as FIB-SEM tomography and Transmission Electron Microscopy (TEM) micrographs. This collection of data is useful for characterization of the effects of high fluence neutron irradiation in nuclear graphite as described in the associated manuscript, "Mesopores development in superfine grain graphite neutron-irradiated at high fluence" (Contescu et al., 2019).

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Here we report a phase transition in H adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5-0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly.

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Crown ethers are at their most basic level rings constructed of oxygen atoms linked by two- or three-carbon chains. They have attracted attention for their ability to selectively incorporate various atoms or molecules within the cavity formed by the ring. However, crown ethers are typically highly flexible, frustrating efforts to rigidify them for many uses that demand higher binding affinity and selectivity.

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Article Synopsis
  • The framework uses van der Waals density functional calculations and thermodynamic modeling for quick predictions of gas adsorption properties.
  • By incorporating pore size distributions from experiments, the model can effectively predict gas uptakes in various activated carbon materials without relying on empirical potentials or time-consuming simulations.
  • Findings indicate that even materials with smaller pores and higher heats of adsorption may perform poorly if they have low densities of highly adsorbent pores.
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Quasielastic neutron scattering of H(2) and D(2) in the same nanoporous carbon at 10-40 K demonstrates extreme quantum sieving, with D(2) diffusing up to 76 times faster. D(2) also shows liquidlike diffusion while H(2) exhibits Chudley-Elliott jump diffusion, evidence of their different relationships with the local lattice of adsorption sites due to quantum effects on intermolecular interactions. The onset of diffusion occurs at 22-25 K for H(2) and 10-13 K for D(2).

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A scanning transmission electron microscopy investigation of two nanoporous carbon materials, wood-based ultramicroporous carbon and poly(furfuryl alcohol)-derived carbon, is reported. Atomic-resolution images demonstrate they comprise isotropic, three-dimensional networks of wrinkled one-atom-thick graphene sheets. In each graphene plane, nonhexagonal defects are frequently observed as connected five- and seven-atom rings.

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Graphene materials were synthesized by reduction of exfoliated graphite oxide and then thermally treated in nitrogen to improve the surface area and their electrochemical performance as electrical double-layer capacitor electrodes. The structural and surface properties of the prepared reduced graphite oxide (RGO) were investigated using atomic force microscopy, scanning electron microscopy, Raman spectra, X-ray diffraction pattern analysis, and nitrogen adsorption/desorption studies. RGO forms a continuous network of crumpled sheets, which consist of large amounts of few-layer and single-layer graphenes.

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Article Synopsis
  • The study involved doping poly(furfuryl alcohol)-derived activated carbon (PFAC) with potassium (K) and lithium (Li) to enhance its properties for hydrogen adsorption.
  • The process used naphthalene and tetrahydrofuran (THF) to slightly alter PFAC's microstructure, confirmed by techniques like Raman spectroscopy and X-ray diffraction.
  • Doping with alkali metals resulted in a decreased specific surface area and pore volume of PFAC, but improved its hydrogen adsorption capabilities, reflected in higher heats of adsorption compared to the undoped version.
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In-situ small-angle neutron scattering studies of H(2) confined in small pores of polyfurfuryl alcohol-derived activated carbon at room temperature have provided for the first time its phase behavior in equilibrium with external H(2) at pressures up to 200 bar. The data were used to evaluate the density of the adsorbed fluid, which appears to be a function of both pore size and pressure and is comparable to the density of liquid H(2) in narrow nanopores at ∼200 bar. The surface-molecule interactions responsible for densification of H(2) within the pores create internal pressures that exceed the external gas pressure by a factor of up to ∼50, confirming the benefits of adsorptive storage over compressive storage.

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