Inorganics, Volume 11, Issue 5

We have undertaken a DFT study of the nitride cluster fullerenes (NCFs) Ln₃N@C₈₀ for the complete series of fourteen lanthanides plus lanthanum by using the PBE functional with the Grimme’s dispersion correction (PBE-D2). We tested the DN and D...

The hydrazine s-triazine ligand (E)-4,4’-(6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine-2,4-diyl)dimorpholine (DMPT) was used to synthesize two new Ni(II) complexes via a self-assembly technique. The two complexes were synthesized...

This study investigates the effects of continuous and in-steps mechanical alloying of a bismuth antimony telluride powder mixture (Bi${}_{0.4}$Sb${}_{1.6}$Te${}_{3.0}$) via the mechanical planetary ball milling (PBM) process as a function of milling time and powder mixtu...

A new series of some biologically active Cr(III), Fe(III), Co(II), Ni(II), Cu(II), and Zn(II) complexes was synthesized from the reaction of Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate (L) with the previous biological met...

One of the most important problems in the development of proton exchange membrane fuel cells remains the selection of an efficient electrocatalyst support capable of providing a low loading of active metal with minimal changes in the electrochemical...

Colloid quantum dots (CQDs) are recognized as an ideal material for applications in next-generation optoelectronic devices, owing to their unique structures, outstanding optical properties, and low-cost preparation processes. However, monodisperse CQ...

In this study, we produced zirconia nanoparticles with a pure tetragonal phase, good dispersion, and an average particle size of approximately 7.3 nm using the modified hydrothermal method. Zirconium oxychloride (ZrOCl₂-8H₂O) was used as zirconium so...

Realizing rapid and stable hydrogen sorption at low temperature is critical for magnesium-based hydrogen storage materials. Herein, liquid channels are built in magnesium hydride by introducing lithium borohydride ion conductors as an efficient route...

The structure property is the fundamental factor in determining the stability, adsorption, catalytic performance, and selectivity of microporous materials. Seven density functional approximations (DFAs) are used to simulate the crystal structure of m...

Beta zeolite, a crystal material with a three-dimensional twelve-ring cross-channel structure, has many advantages, such as high Brønsted acid concentration, high Si/Al ratio, thermal/hydrothermal stability, and large surface area. Due to thes...

This article describes the effective synthesis of colloidal SnO₂ quantum dots and ZnWO₄ nanorods using wet chemical synthesis and hydrothermal synthesis, respectively. The resulting ZnWO₄-SnO₂ core–shell nanorod heterostructure is then made, an...

The interaction between (PNP)PdH (1); PNP = bis(2-diisopropylphosphino-4-methylphenyl)amide and different acids (CF₃SO₃H, HBF₄∙Et₂O, fluorinated alcohols and formic acid) was studied in benzene or toluene as well as in neat alcohols by IR and N...

A series of Fe₂O₃-anchored three-dimensional graphene (3DG) composites are synthesized via hydrothermal and annealing methods. The Fe₂O₃ nanocrystals in composites display nanocubes, one-dimensional (1D) nanorods and ellipsoids at hydrothermal temper...

Novel Fe-Al-SiO₂ (FAS) poly-coagulants were prepared by the ball milling method using ferrous sulfate, aluminum sulfate, hydrophobic silica, and sodium carbonate as raw materials. The optimal preparation conditions and effects of preparation paramete...

In this manuscript, we have examined the CSD (Cambridge Structural Database) to investigate the relative ability of Te and I (in practice, the heaviest chalcogen and halogen atoms) in di- and tri-iododiorganyltellurium(IV) derivatives to establish &s...

In this work, attention is focused on the non-essential amino acid L-Tyrosine (TYR) hydroxylated to L-DOPA, which is the precursor to the neurotransmitters dopamine, noradrenaline (norepinephrine; NE) and adrenaline (epinephrine; EP) known as catecho...

The M-type barium hexaferrite substituted with titanium, BaFe${}_{12-x}$Ti${}_x$O${}_{19}$, was synthesized from sodium carbonate flux and the obtained single crystals with a maximum degree of substitution of up to about x = 0.9 were characterized. XPS measuremen...

Photoelectrochemical (PEC) splitting water technology over the years has gradually matured, and now photoanodes loaded with nanoparticles (NPs) show excellent PEC performance. Each of the metal NPs has a different effect on the PEC performance of BiV...

Calcium dialuminate, CaAl₄O₇, nanopowders with a grossite-type structure, doped with chromium ions, were synthesized via the combined sol–gel solution combustion method. The evolution of phase composition, crystal structure, and microstructural...

In this work, the deposition of titanium nitride (TiN) thin film using direct current (DC) sputtering technique and its application as diffusion barriers against copper interconnect was presented. The deposited film was analyzed by using X-ray diffra...

BiVO₄ is a highly promising material for Photoelectrochemical (PEC) water splitting photoanodes due to its narrow band gap value (~2.4 eV) and its ability to efficiently absorb visible light. However, the short hole migration distance, severe surface...

Over the last 10 years, hydrogen-rich compounds based on five-membered boron–nitrogen chain anions have attracted attention as potential hydrogen storage candidates. In this work, we synthesized Na[BH₃(CH₃NH)BH₂(CH₃NH)BH₃] through a simple mech...

A theoretical modelling of the interaction process between a protonated complex of carboxonium derivative [2,6-B₁₀H₈O₂CCH₃*H^fac]⁰ and acetonitrile molecule CH₃CN was carried out. As a result of the process, a trisubstituted [B₁₀H₇O₂CCH₃(NCCH₃)]⁰ deri...

The carbonation behavior of calcium-containing sorbents, CaO and Ca(OH)₂, was investigated under pressurized CO₂ at nominal room temperature. The carbonation reaction was mechanically driven via reactive ball milling. The carbonation rate was determi...

The stability of coordination compounds of metal ions with ligands is of fundamental importance for elaborating upon practical sensors for the detection and quantification of metal ions in environmental samples. In this work, the stability constants...

A series of new platinum square planar complexes [Pt(NCN)L]^+/0 with the pincer N^C^N cyclometallated ligand (NC(H)N = 1,3-bis(1-phenyl-1H-phenanthro[9,10-d]imidazol-2-yl)benzene) containing the following L: Cl⁻, acetonitrile, pyridine, dimethyl...

COVID-19, a viral respiratory illness, is caused by Severe Acute Respiratory Syndrome Corona Virus 2 (SARS-CoV-2), which was first identified in Wuhan, China, in 2019 and rapidly spread worldwide. Testing and isolation were essential to control the v...

Oxygen-ionic and proton-conducting oxides are widely studied materials for their application in various electrochemical devices such as solid oxide fuel cells and electrolyzers. Rare earth oxides are known as a class of ionic conductors. In this pape...

The six new copper(II) coordination compounds [Cu(HL¹)Cl₂] (1), [Cu(HL¹)Br₂] (2), [Cu(H₂O)(L¹)(CH₃COO)]·1.75H₂O (3), [Cu(HL²)Cl₂] (4), [Cu(HL²)Br₂] (5), [Cu(H₂O)(L²)(CH₃COO)] (6) were synthesized with 2-formyl- and 2-acetylpyridine N⁴,S-dially...

The C-H bond activation and functionalization is a powerful tool that provides efficient access to various organic molecules. The cobalt-catalyzed oxidative C-H bond activation and functionalization has earned enormous interest over the past two deca...

Three newly designed pyrochlore oxides, Eu₂Tm₂O₇ (Tm = Hf, Sn, Zr), are analyzed for their magnetic, optical and electronic properties using ab-initio calculations within the context of density functional theory (DFT). We can refer these compounds as...

Two new coordination polymers based on Zn(II) and 2,5-diiodoterephthalate—{[Zn(2,5-I-bdc)bpe}] (1) and {[Zn(2,5-I-bdc)bpen}] (2)—were synthesized and characterized. Polymers 1 and 2 feature halogen bonding between the I atoms of MOF and D...

The structural determination of ultrasmall clusters remains a challenge due to difficulties in crystallisation. Often the atomically precise clusters undergo structural change under the influence of the environment. X-ray absorption spectroscopy (XAS...

A new polymorph of the ruthenium(II) diclofenac complex with formula [Ru(p-cymene)(diclo)Cl] was synthesized, and its crystal structure was solved by single crystal X-ray diffraction. The structure was refined by HAR, using five different relativisti...

Lanthanide coordination compounds contining multiple lanthanides are the most promising candidate materials for luminescent thermometry. Sensing elevated temperatures requires highly stable complexes and matrices, such as those of thermally stable po...

Several synthetic cross-coupling procedures were (re-)evaluated for the tethering of pyrazine to dithiocarbonates. The resultant species constitute pro-ligands and can be converted by removal of the C=O moiety into ene-dithiolate ligand systems that...

Ceramic corundum abrasives were prepared using pseudo-boehmite as a raw material via the sol-gel method. Additives can significantly change the microscopic morphology of abrasives and improve mechanical properties. When 2 wt% CaO-TiO₂-SiO₂ with a mol...

Hydrogen is considered as a clean energy carrier able to achieve the decarbonization of the economy, but its compact, safe, and efficient storage represents an important challenge. Among many materials forming hydrides, this work reports the study of...

Throughout human history, bacteria and fungi have caused infections that are difficult to combat. For this reason, countless research groups have developed novel compounds to solve this problem. Thiazole and benzothiazole are present in different str...

A two-dimensional and bifunctional pillar-layered metal–organic framework (MOF)—with the molecular formula [Zn(cba)(bpdb)]·DMF (2DTMU-1), H₂cba = 4,4′-methylenedibenzoic acid, bpdb = 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene...

The global demand for energy is constantly rising, and thus far, remarkable efforts have been put into developing high-performance energy storage devices using nanoscale designs and hybrid approaches. Hybrid nanostructured materials composed of trans...

Power sources supported by lithium-ion battery (LIB) technology has been considered to be the most suitable for public and military use. Battery quality is always a critical issue since electric engines and portable devices use power-consuming algori...

Metal alloys and intermetallic compounds offer an attractive method for safely storing hydrogen (H₂). The metal alloys absorb H₂ into their structure, often swelling and fracturing as a result of phase transformation during hydride formation/decompos...

In order to meet the demand of metal hydride–hydrogen compressors (MHHC) and their hydrogen compression materials for high-pressure hydrogen filling in a hydrogen energy field, four kinds of hydrogen storage alloys with low-grade heat source (&...

Membrane permeability of copper complexes with potential anti-inflammatory activity were measured using an artificial membrane in a modified Franz cell. Using CuCl₂ as the control, all the ligands tested enhanced the diffusion of copper, with enhance...

Yttrium manganite (YMnO₃) is a compound belonging to the hexagonal rare earth manganites family, which demonstrates multiferroic properties. This material can be prepared by several synthetic approaches, with the most common one being the solid-state...

The selective oxidation of primary alcohols into their corresponding carbonyl compounds is challenging because of the easy over oxidization to acids and esters. The traditional reaction requires large amounts of solvent and oxidant, causing serious e...