Cyclodextrins (CDs) are native host systems with inherent ability to form inclusion complexes with various molecular entities, mostly hydrophobic substances. Host cyclodextrins are accommodative to water molecules as well and contain water in the native state. For β-cyclodextrin (β-CD), there is no consensus regarding the number of bound water molecules and the location of their coordination. A number of intriguing questions remain: (1) Which localities of the host’s macrocycle are the strongest attractors for the guest water molecules? (2) What are the stabilizing factors for the water clusters in the interior of β-CD and what type of interactions between water molecules and cavity walls or between the water molecules themselves are dominating the energetics of the β-CD hydration? (3) What is the maximum number of water molecules inside the cavity of β-CD? (4) How do the thermodynamic characteristics of β-CD hydration compare with those of its smaller α-cyclodextrin (α-CD) counterpart? In this study, we address these questions by employing a combination of experimental (DSC/TG) and theoretical (DFT) approaches.

A high-energy ball milling and subsequent high-pressure torsion method was applied to synthesize nanocrystalline magnesium samples catalyzed by TiO₂ or titanate nanotubes. The microstructure of the as-milled powders and the torqued bulk disks was characterized by X-ray diffraction. The recorded diffractograms have been evaluated by the convolutional multiple whole profile fitting algorithm, which provided microstructural parameters (average crystal size, crystallite size distribution, average dislocation density). The morphology of the nanotube-containing disks has been examined by high-resolution transmission electron microscopy. The effect of the different additives and preparation conditions on the hydrogen absorption behavior was investigated in a Sieverts’-type apparatus. It was found that the ball-milling route has a prominent effect on the dispersion and morphology of the titanate nanotubes, and the absorption capability of the Mg-based composite is highly dependent on these features.

A high-energy ball-milling method was applied for different milling times (1 h, 3 h, and 10 h) to synthetize nanocrystalline MgH₂ powder samples catalyzed by Fe₂Ti. Morphology and microstructure of the powders were characterized by scanning electron microscopy and X-ray diffraction. The recorded diffraction profiles were evaluated by the convolutional multiple whole profile fitting algorithm, in order to determine microstructural parameters of the composites, such as average crystallite size and average dislocation density. Differential scanning calorimetry was performed to investigate the dehydrogenation characteristics of the alloys. It was obtained that there exists an optimal milling time (3 h) when desorption occurs at the lowest temperature. X-ray diffraction of partially dehydrided states confirmed a two-step H-release, including the subsequent desorption of γ-MgH₂ and α-MgH₂. The effect of milling time on the H-sorption performance was investigated in a Sievert-type apparatus. The best overall hydrogenation performance was obtained for the composite milled for 3 h.

A Mg₆₅Ni₂₀Cu₅Y₁₀ metallic glass was produced by melt spinning and was mixed with a 5 wt.% multiwall carbon nanotube additive in a high-energy ball mill. Subsequently, the composite mixture was exposed to high-pressure torsion deformation with different torsion numbers. Complimentary XRD and DSC experiments confirmed the exceptional structural and thermal stability of the amorphous phase against severe plastic deformation. Combined high-resolution transmission electron microscopy observations and fast Fourier transform analysis revealed deformation-induced Mg₂Ni nanocrystals, together with the structural and morphological stability of the nanotubes. The electrochemical hydrogen discharge capacity of the severely deformed pure metallic glass was substantially lower than that of samples with the nanotube additive for several cycles. It was also established that the most deformed sample containing nanotubes exhibited a drastic breakdown in the electrochemical capacity after eight cycles.

Two-dimensional (2D) copper hydroxide acetate plates (CuHA) have been fabricated by a simple precipitation process. Their influence on the thermal decomposition of ammonium perchlorate (AP) was explored by thermogravimetry and differential scanning calorimetry. It was found that the in situ generated CuO strongly boosts the thermal decomposition performance of AP. In particular, the addition of 3 wt.% CuHA to AP lowers the decomposition temperature of the latter by 118 ⁰C and, moreover, the heat release is increased almost twofold compared to that of pure AP.