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Here we explored the possibility to prepare boron-substituted nanoporous carbons, cheap, light and save material that wassupposed [2,3] to reversibly store hydrogen by physisorption at room temperatures and moderated pressure (< 120 bar). Weshowed that electric arc discharge between graphite electrodes may be optimized to produce graphitized structures with avariety of graphene fragment sizes, forms, and interconnections between them. It also allows to introduce boron heteroatominto graphite-like structure. The as-synthetized material shows the hydrogen binding energy twice as high as unsubstitutedcarbons, but requires post-treatment (activation) as the its surface is low (~200 m2/g).

Ref HAL: hal-02116564_v1
DOI: 10.1515/zkri-2018-2152
WoS: 000476636700009
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Phonons are quantum elastic excitations ofcrystalline solids. Classically, they correspond to thecollective vibrations of atoms in ordered periodic structures.They determine the thermodynamic properties ofsolids and their stability in the case of structural transformations.Here we review for the first time the existingexamples of the phonon analysis of adsorption-inducedtransformations occurring in microporous crystallinematerials. We discuss the role of phonons in determiningthe mechanism of the deformations. We point outthat phonon-based methodology may be used as a predictivetool in characterization of flexible microporousstructures; therefore, relevant numerical tools must bedeveloped.

Ref HAL: hal-02116559_v1
DOI: 10.1038/s41598-019-39417-6
WoS: WOS:000459799800120
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4 Citations
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This work investigates the effects of neutron irradiation on nitrogen and hydrogen adsorption in boron-doped activated carbon. Boron-neutron capture generates an energetic lithium nucleus, helium nucleus, and gamma photons, which can alter the surface and structure of pores in activated carbon. The defects introduced by fission tracks are modeled assuming the slit-shaped pores geometry. Sub-critical nitrogen adsorption shows that nitrogen molecules cannot probe the defects created by fission tracks. Hydrogen adsorption isotherms of irradiated samples indicate higher binding energies compared to their non-irradiated parent samples.

Ref HAL: hal-02103082_v1
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Double-walled carbon nanotubes (DWNTs), consisting of two coaxial and weakly van der Waals coupled single-walled carbon nanotubes (SWNTs), are one of the most ideal and fundamental systems to study the effects of inter-tube coupling on the physical properties in one-dimensional structures.On this poster, we report on the investigations of individual, spatially isolated and suspended double-walled carbon nanotubes (DWNTs) by combination of high-resolution electron microscopy, electron diffraction, Rayleigh spectroscopy and Raman spectroscopy (Figure 1) [1,2]. We first present an overview of the effect of the diameters, inter-tube distance and nature (metallic or semiconducting) on the Raman signature (Radial Breathing Like [1,3,4] and Tangential Modes [4-6]) of DWNTs. We then examine the features of tangential modes and find a clear frequency shift of the inner-layer G modes as a function of the inter-tube distance with respect to the corresponding G modes in equivalent single-walled carbon nanotubes (SWNT).[4-6] These results are understood by considering the effects of the relaxation of the layers and the interaction between the relaxed structures.[7] Finally, we study the experimental excitation dependence of the G modes intensity of the constituent inner and outer SWNTs. In particular, we discuss the effects of the quantum interference between different electronic transitions on the observed behaviors.[8]References[1] D.I. Levshov et al., Carbon, 114, 141 (2017). [2] D.I. Levshov et al., Phys Rev. B 96 (2017), 195410.[3] D.I. Levshov et al., Nano Lett. 11(11) (2011), 4800. [4] H.-N. Tran et al., Adv. Nat. Sci. Nanosci. Nanotechnol. (2017), 8, 15018.[5] D. Levshov et al., J. Phys. Chem. C 119(40) (2015), 23196.[6] D.I. Levshov et al., Phys. Status Solidi B 254(11) (2017), 1700251.[7] V.N. Popov et al., Phys. Rev. B 97 (2018), 165417.[8] H.-N. Tran et al., Phys. Rev. B 95 (2017), 95 (20), 205411

Ref HAL: hal-02100569_v1
Ref Arxiv: 1808.05173
DOI: 10.1039/c8nr09841g
WoS: WOS:000462669600047
Ref. & Cit.: NASA ADS
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4 Citations
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The growth of single-layer graphene (SLG) by chemical vapor deposition (CVD) on copper surfaces is very popular because of the self-limiting effect that, in principle, prevents the growth of few-layer graphene (FLG). However, the reproducibility of the CVD growth of homogeneous SLG remains a major challenge, especially if one wants to avoid heavy surface treatments, monocrystalline substrates and expensive equipment to control the atmosphere inside the growth system. We demonstrate here that backside tungsten coating of copper foils allows for the exclusive growth of SLG with full coverage by atmospheric pressure CVD implemented in a vacuum-free furnace. We show that the absence of FLG patches is related to the suppression of carbon diffusion through copper. In the perspective of large-scale production of graphene, this approach constitutes a significant improvement to the traditional CVD growth process since (1) a tight control of the hydrocarbon flow is no longer required to avoid FLG formation and, consequently, (2) the growth duration necessary to reach full coverage can be drastically shortened.

Ref HAL: hal-02077581_v1
DOI: 10.1016/j.optmat.2019.02.029
WoS: 000470938800021
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Nowadays, the recovering of both thicknesses and optical properties of nanometric multilayers is still a challenge. We propose a method to recover the effective relative permittivities and the thicknesses of copper/copper oxide layers, from absorbance spectra measured in the visible spectra. The experimental data are fitted with a model of classical light-matter interaction and a combination of two Drude-Lorentz laws to calculate the relative permittivities over the spectrum. The Particle Swarm Optimization and the evolutionary methods are used for the least-square fitting. A two steps study reveals that the relative permittivities of bulk cannot be used to fit adequately the absorbance curves. However, a perturbation of these reference values improves their fitting. The method is applied to the absorption spectra of a set of three copper samples that are progressively oxidized by six successive heat treatments.

Ref HAL: hal-02010215_v1
DOI: 10.1039/C8CP06817H
WoS: 000459584900045
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4 Citations
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Adsorption studies in flexible metal–organic frameworks are challenging and time-consuming. It ismainly because the mechanism of adsorption, defined by structural framework properties, is constantlymodified during the process, as the framework transformation depends on the adsorption uptake. Wepropose here a new approach to investigate adsorption in such complex systems, in which thesimulations of adsorption in a deforming framework are replaced by the analysis of adsorption inintermediate rigid structures. As a proof of concept we analyze carbon dioxide, hexane, and methaneadsorption in MIL-53. 19 intermediate structures were generated using geometrical interpolationbetween the open and the closed MOF forms and optimized with quantum DFT calculations. The grandcanonical Monte Carlo method was applied to calculate adsorption isotherms in all intermediatestructures. The comparison with experimental results enabled the identification of the intermediateadsorption states. The analysis of the microscopic configurations of the adsorbed molecules in thesestructures allowed us to propose a new mechanism of adsorbate evolution over the entire process.