Related papers: Carbon-induced ionocovalence in MgH2 storage mater…
A brief review of experiments directed to study a gradual localization of charge carriers and metal-insulator transition in samples of disordered monolayer graphene is presented. Disorder was induced by irradiation with different doses of…
The low efficiency of conventional liquefaction technologies based on the Joule-Thomson expansion makes liquid hydrogen currently not attractive enough for large-scale energy-related technologies that are important for the transition to a…
Carbon-substituted MgB2 single crystals, Mg(B_1-xC_x)_2 of 0.3-1.0 mm size were grown for x=0.02-0.15 by a high-pressure technique. The doping dependence of lattice constants studied in a range of x=0.0-0.2 shows a monotonic decrease in a,…
We propose a multi-layer graphene-based device in which storage and release of atomic hydrogen is obtained by exploiting and controlling the corrugation of the layers. The proposal is based on density-functional simulations of hydrogen…
Usually the ions in solid are in the positive oxidation states or in the negative oxidation state depending upon the chemical environment. It is highly unusual for an ion having both positive as well as negative oxidation state in a…
In this paper we report the effect of hydrogen on the structural properties of AISI-H13 steel nitrogen-implanted samples in low oxygen partial pressure atmosphere. The samples were implanted in a high vacuum chamber by using a broad ion…
Ab initio perturbed ion plus polarization calculations are reported for doubly-charged nonstoichiometric (MgO)nMg2+ (n=1-29) cluster ions. We consider a large number of isomers with full relaxations of the geometries, and add the…
Intermetallic compounds are key materials for energy transition as they form reversible hydrides that can be used for solid state hydrogen storage or as anodes in batteries. ABy compounds (A = Rare Earth (RE); B = transition metal; 2 < y <…
We study polylithiated molecules as building blocks for hydrogen storage materials, using first-principles calculations. $\clifour$ and $\olitwo$ bind 12 and 10 hydrogen molecules, respectively, with an average binding energy of 0.10 and…
A microscopic mechanism of low-pressure insertion and separation of chain-like molecules in host matrices is proposed. It is shown that the intramolecular correlations combined to appropriate host activities are responsible for a…
High energy milling of MgB2 pre-reacted powder renders the material largely amorphous through extreme mechanical deformation and is suitable for mechanically alloying MgB2 with dopants including carbon. Bulk samples of milled C and MgB2…
The effects of Fe-ion irradiation on the crystal structure and superconducting properties of MgB$_2$ thin films were investigated. Pristine samples were prepared using hybrid physical-chemical vapor deposition (HPCVD), and ion irradiation…
Context. Hydrogenated amorphous carbons, a-C:H, can incorporate a variety of heteroatoms, which can lead to interesting effects. Aims. To investigate the doping of interstellar a-C:H grains with, principally, Si, O, N and S atoms within the…
Methylated polycyclic aromatic hydrocarbons (PAHs) have been hypothesised to be present in the interstellar medium (ISM) through their 3.4 and 6.9 $\mu$m absorption bands. To investigate the hydrogenation of these methylated PAHs, the…
Surface modification of different materials exposed to an environment typical for hot cathode ionisation vacuum gauges was investigated. Such environment has been generated in a specially designed setup which simulates conditions in a…
The magnetic rare earth element gadolinium (Gd) was doped into thin films of amorphous carbon (hydrogenated \textit{a}-C:H, or hydrogen-free \textit{a}-C) using magnetron co-sputtering. The Gd acted as a magnetic as well as an electrical…
Density inhomogeneity in the intergalactic medium (IGM) can boost the recombination rate of ionized gas substantially, affecting the growth of HII regions during reionization. Previous attempts to quantify this effect typically failed to…
Hydrogen addition and abstraction reactions play an important role as surface reactions in the buildup of complex organic molecules in the dense interstellar medium. Addition reactions allow unsaturated bonds to be fully hydrogenated, while…
The physical property characterization of Al doped Mg1-xAlxB2 system with x = 0.0 to 0.50 is reported. The results related to phase formation, structural transition, resistivity R(T) and magnetization M(T) measurements are discussed in…
We report the detection of H2 in a zabs= 0.0963 Damped Lyman-{\alpha} (DLA) system towards zem = 0.4716 QSO J1619+3342. This DLA has log N(H I) = 20.55 (0.10), 18.13 < log N(H2) < 18.40, [S/H] = -0.62 (0.13), [Fe/S] = -1.00 (0.17) and the…