Crystals, Volume 8, Issue 3

The charge transfer salts α-DT-TTF[Au(dcdmp)₂] (1), BET-TTF[Au(dcdmp)₂] (2M and 2T), α-DT-TTF[Cu(dcdmp)₂] (3), ET[Cu(dcdmp)₂] (4), (BET-TTF)₂[Cu(dcdmp)₂] (5), (ET)₂[Ni(dcdmp)₂] (6), and α-mtdt[Cu(dcdmp)₂] (7) were obtained by electrocrystallization o...

Four new solvent-induced Co(II) complexes with chemical formulae [{CoL(μ₂-OAc)(MeOH)}₂Co] (1), [{CoL(μ₂-OAc)(EtOH)}₂Co] (2), [{CoL(μ₂-OAc)(Py)}₂Co] (3) and [{CoL(μ₂-OAc)(DMF)}₂Co] (4) (H₂L = 4-nitro-4′-chloro-2,2′-[(1,3-propylene)dioxybis(nitrilometh...

The opposing effects of high pressure (in the GPa range) and the Jahn-Teller distortion led to many intriguing phenomena which are still not well understood. Here we report a combined experimental-theoretical study on the high-pressure behavior of an...

In an isostructural series of anion radical salts β′-(Me_4-xEt_xZ)[Pd(dmit)₂]₂ (Z = P, As, Sb; x = 0, 1, 2), [Pd(dmit)₂]₂⁻ units form a two-dimensional Mott insulator layer with a quasi-isosceles triangular lattice. The anisotropy of the triangular lat...

In this work, hydration kinetics related to the incorporation of water into proton-conducting Ba_0.9La_0.1Zr_0.25Sn_0.25In_0.5O_3−a perovskite-type oxide are presented, with a recorded transition on temperature from a single-fold to a two-fold behavior. Th...

The optical conductivity in the charge order phase is calculated in the two-dimensional extended Hubbard model describing an organic Dirac electron system $\alpha$ -(BEDT-TTF) ${}_2$ I ${}_3$ using the mean field theory and the Nakano-Kubo formula...

In this paper, a method to obtain the CuInGaSe₂ (CIGS) absorber layer with an appropriate selenium content is put forward, in which a Se-rich target is used to deposit a CIGS thin-film and this film is annealed in a Se-free inert atmosphere. The key...

Composite materials frequently allow the drawbacks of single components to be overcome thanks to a synergistic combination of material- and structure-specific features, leading to enhanced and also new properties. This is the case of a metallic-ceram...

Alumina (α-Al₂O₃) is one of the representative high-temperature structural materials. Dislocations in alumina play an important role in its plastic deformation, and they have attracted much attention for many years. However, little is known about the...

Experimental determination of electron density distribution in crystals by means of high-resolution X-ray diffraction allows, among others, for studying the details of intra- and inter-molecular interactions. In case of co-crystals, this method may h...

Li₂B₁₂H₁₂ is commonly considered as a boron sink hindering the reversible hydrogen sorption of LiBH₄. Recently, in the dehydrogenation process of LiBH₄ an amorphous H-deficient Li₂B₁₂H_12−x phase was observed. In the present study, we investigate the...

The strain rate sensitivity (SRS) and dislocation activation volume are two inter-related material properties for understanding thermally-activated plastic deformation, such as creep. For face-centered-cubic metals, SRS normally increases with decrea...

The influence of vibration on friction at the nanoscale was studied via molecular dynamics (MD) simulations. The results show that average friction increases in a high-frequency range. This can be attributed to the vibration of the tip following vibr...

Molecular complexation is a strategy used to modify the physicochemical or biopharmaceutical properties of an active pharmaceutical ingredient. Solvent assisted grinding is a common method used to obtain solid complexes in the form of cocrystals. Lid...

The geometries of the enol (E) and keto (K) forms of a crystalline salicylideneaniline molecular switch, (E)-2-methoxy-6-(pyridine-3-yliminomethyl)phenol (PYV3), have been determined using periodic density functional theory (DFT) calculations with a...

A zero-gap state with a Dirac cone type energy dispersion was discovered in an organic conductor α-(BEDT-TTF)₂I₃ under high hydrostatic pressures. This is the first two-dimensional (2D) zero-gap state discovered in bulk crystals with a layered struct...

Basal dislocations having a Burgers vector of 1/3<2 $\overline{1}$ $\overline{1}$ 0> in zinc oxide (ZnO) with the wurtzite structure are known to strongly affect physical properties in bulk. However, the core structure of the basal dislocation remai...

Organic-inorganic hybrid perovskite has attracted intensive attention from researchers as the gain medium in lasing devices. However, achieving electrically driven lasing remains a significant challenge. Modifying the devices’ structure to enhance th...

Lithium niobate (LiNbO₃) is an important technological material with good electro-optic, acousto-optic, elasto-optic, piezoelectric and nonlinear properties. Doping LiNbO₃ with hafnium (Hf) has been shown to improve the resistance of the material to...

Nanostructured materials have already become an integral part of our daily life. In many applications, ion mobility decisively affects the performance of, e.g., batteries and sensors. Nanocrystalline ceramics often exhibit enhanced transport properti...

In this work we show the influence of material preparation technology on the thermoluminescent properties of single crystalline films (SCFs) of Ce³⁺-doped Lu₂SiO₅ (LSO) and Y₂SiO₅ (YSO) orthosilicates. LSO:Ce and YSO:Ce SCFs were grown by the liquid...

Comprehensive measurements of the pressure- and temperature-dependent dc-transport are combined with dielectric spectroscopy and structural considerations in order to elucidate the charge and anion orderings in the quasi-one-dimensional charge-transf...

This special issue looks at the potential applications of GaN-based crystals in both fields of nano-electronics and optoelectronics. The contents will focus on the fabrication and characterization of GaN-based thin films and nanostructures. It consis...

We report the structures and the nonresonant Raman spectra of hybrid systems composed of carbon fullerenes ( $C_{60}$ and $C_{70}$ ) encased within single walled boron nitride nanotube. The optimal structure of these systems are derived from to...

Spin-crossover clusters with iron(II) high nuclearity are rare. By using 3,5-bis(pyridin-2-yl)-1,2,4-triazole (bptH) as the ligand with two bidentate chelating sites, we successfully obtained three pentanuclear iron(II) cluster helicate compounds [{F...

Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical Hertzian mode...

One-dimensional metal–organic coordination polymers make up a class of compounds with potential towards the development of practical, new magnetic materials. Herein, a rare example of an ABBABB coupled linear chain comprised of alternating dicopper(I...

Spin-frustrated monomer-type Mott insulator C₆₀^•− solids are discussed in this review article. For the C₆₀^•− solids, the interfullerene center-to-center distance (r) is the key parameter that controls the competition between covalent bond-formation,...

The Rietveld-internal standard method for Bragg-Brentano reflection geometry (θ/2θ) X-ray diffraction (XRD) patterns is implemented to determine the amorphous phase content. The effect of some minor phases on quantitative accuracy is assessed. The nu...

Thermally reduced graphene oxide (TRGO) was incorporated as a reinforcing filler in the epoxy resin to investigate the effect on the mechanical properties of carbon fiber (CF)/epoxy composites. At first, the epoxy matrix was modified by adding differ...

The coupling of cis-[PdCl2(CNXyl)2] (Xyl = 2,6-Me2C6H3) with 4-phenylthiazol-2-amine in molar ratio 2:3 at RT in CH2Cl2 leads to binuclear (diaminocarbene)PdII complex 3c. The complex was characterized by HRESI+-MS, 1H NMR spectroscopy, and its struc...

High-quality Ta-doped La₂Ti₂O₇ (Ta-LTO) single crystal of about 40 mm in length and 5 mm in diameter was successfully prepared by the optical floating zone method. An X-ray rocking curve reveals that the crystal of LTO has excellent crystalline quali...

Changes in structural and magnetic properties have been systematically induced in lithium niobate (LiNbO₃) powders, Fe-doped with different concentrations and thermally treated in oxidized and reduced states. A rather strong ferromagnetic response at...

The dynamism of proteins is central to their function, and several proteins have been described as flexible, as consisting of multiple domains joined by flexible linkers, and even as intrinsically disordered. Several techniques exist to study protein...