Anisotropy in Carbon Dioxide Adsorption on Forsterite.

In this study, density functional theory (DFT) method were used to investigate the adsorption behavior and binding mechanism of CO molecules on six crystallographic surfaces of forsterite (MgSiO). The influence of surface crystallographic orientation on CO adsorption efficiency was examined at the atomic level. Results showed stable binding of CO on all surfaces.

Effect of Waste Concrete Powder Content and Microwave Heating Parameters on the Properties of Porous Alkali-Activated Materials from Coal Gangue.

The objective of this research is to fabricate waste-based alkali-activated foams with better properties in a quick time by using energy-efficient techniques such as microwave irradiation. The present study reports the effect of microwave heating parameters, including heating time and output power, on the properties of porous alkali-activated materials (AAMs) that use coal gangue (CG) as a precursor. The effects of concrete waste (CW) content (0-20 wt %) on the performance and microstructure of CG-based AAMs were investigated.

4-Halomethyl-Substituted Imidazolium Salts: A Versatile Platform for the Synthesis of Functionalized NHC Precursors.

N,N'-Diarylimidazolium salts containing haloalkyl functional groups that are reactive with various nucleophiles are considered to be promising reagents for the preparation of functionalized N-heterocyclic carbene (NHC) ligands, which are in demand in catalysis, materials science, and biomedical research. Recently, 4-chloromethyl-functionalized N,N'-diarylimidazolium salts became readily available via the condensation of N,N'-diaryl-2-methyl-1,4-diaza-1,3-butadienes with ethyl orthoformate and MeSiCl, but these compounds were found to have insufficient reactivity in reactions with many nucleophiles. These chloromethyl salts were studied as precursors in the synthesis of bromo- and iodomethyl-functionalized imidazolium salts by halide anion exchange.

Molecular Insights into Adhesion at Interface of Geopolymer Binder and Cement Mortar.

The degradation of concrete and reinforced concrete structures is a significant technical and economic challenge, requiring continuous repair and rehabilitation throughout their service life. Geopolymers (GPs), known for their high mechanical strength, low shrinkage, and durability, are being increasingly considered as alternatives to traditional repair materials. However, there is currently a lack of understanding regarding the interface bond properties between new geopolymer layers and old concrete substrates.

Studying the Process of Phosphogypsum Recycling into a Calcium Sulphide-Based Luminophor.

Currently, one of the most important problems of environmental protection is the deep and complex processing of mineral raw materials. This problem is especially relevant when processing substandard ores and production waste, one of which is phosphogypsum. This study examines the process of CaSO/CaS composite material formation during the reduction of phosphogypsum with citric acid.

Dataset on the crystal structure and electronic properties of kaolinite edge surfaces.

The data presented in this paper characterize stable kaolinite edge surfaces. Their equilibrium structure is obtained by DFT methods using the first-principles package CASTEP. The calculations are performed using a basis set of plane waves in the PBE exchange-correlation potential.

Revealing the Mechanism of Combining Best Properties of Homogeneous and Heterogeneous Catalysis in Hybrid Pd/NHC Systems.

The formation of transient hybrid nanoscale metal species from homogeneous molecular precatalysts has been demonstrated by in situ NMR studies of catalytic reactions involving transition metals with N-heterocyclic carbene ligands (M/NHC). These hybrid structures provide benefits of both molecular complexes and nanoparticles, enhancing the activity, selectivity, flexibility, and regulation of active species. However, they are challenging to identify experimentally due to the unsuitability of standard methods used for homogeneous or heterogeneous catalysis.

Quantitative Determination of Active Species Transforming the R-NHC Coupling Process under Catalytic Conditions.

Palladium complexes with -heterocyclic carbenes (Pd/NHC) serve as prominent precatalysts in numerous Pd-catalyzed organic reactions. While the evolution of Pd/NHC complexes, which involves the cleavage of the Pd-C(NHC) bond via reductive elimination and dissociation, is acknowledged to influence the catalysis mechanism and the performance of the catalytic systems, conventional analytic techniques [such as NMR, IR, UV-vis, gas chromatography-mass spectrometry (GC-MS), and high-performance liquid chromatography (HPLC)] frequently fail to quantitatively monitor the transformations of Pd/NHC complexes at catalyst concentrations typical of real-world conditions (below approximately 1 mol %). In this study, for the first time, we show the viability of using electrospray ionization mass spectrometry (ESI-MS).

Study on the Curing and Foaming of Surfactant-Modified Geopolymer Gels Based on Ash and Slag Waste from Coal Combustion.

This study explores the influence of temperature-time conditions, surfactants, and varied waste compositions on the curing of geopolymer gels, a foam formation with the properties of porous geopolymers. Findings reveal that a 6 h curing period leads to a density of 435 kg/m and strength of 0.66 MPa, with notable improvements at 12 h.

Mechanism of Cs Immobilization within a Sodalite Framework: The Role of Alkaline Cations and the Si/Al Ratio.

Conditioning of radioactive waste generated from the operation of medical institutions, nuclear cycle facilities, and nuclear facilities is important for the safety of the environment. One of the most hazardous radionuclides is radioactive cesium. There is a need for more effective solutions to contain radionuclides, especially cesium (Cs+).

Recent Trends in Supercapacitor Research: Sustainability in Energy and Materials.

Supercapacitors (SCs) have emerged as critical components in applications ranging from transport to wearable electronics due to their rapid charge-discharge cycles, high power density, and reliability. This review offers an analysis of recent strides in supercapacitor research, emphasizing pivotal developments in sustainability, electrode materials, electrolytes, and 'smart SCs' designed for modern microelectronics with attributes such as flexibility, stretchability, and biocompatibility. Central to this discourse are two dominant electrode materials: carbon materials (CMs), primarily in electric double layer capacitors (EDLCs), and pseudocapacitive materials, involving oxides/hydroxides, chalcogenides, metal-organic frameworks, conductive polymers and metal nitrides such as MXene.

New class of RSO-NHC ligands and Pd/RSO-NHC complexes with tailored electronic properties and high performance in catalytic C-C and C-N bonds formation.

Imidazolium salts have found ubiquitous applications as N-heterocyclic carbene precursors and metal nanoparticle stabilizers in catalysis and metallodrug research. Substituents directly attached to the imidazole ring can have a significant influence on the electronic, steric, and other properties of NHC-proligands as well as their metal complexes. In the present study, for the first time, a new type of Pd/NHC complex with the RSO group directly attached to the imidazol-2-ylidene ligand core was designed and synthesized.

Dynamic behavior of metal nanoparticles in MOF materials: analysis with electron microscopy and deep learning.

Electron microscopy is a key characterization technique for nanoscale systems, and electron microscopy images are typically recorded and analyzed in terms of the morphology of the objects under study in static mode. The emerging current trend is to analyze the dynamic behavior at the nanoscale observed during electron microscopy measurements. In this work, the study of the stability of MOF structures with different compositions and topologies under conditions of an electron microscope experiment revealed an unusual dynamic behavior of M NPs formed due to the electron-beam-induced transformation of specific frameworks.

Study of the Possibility of Using Sol-Gel Technology to Obtain Magnetic Nanoparticles Based on Transition Metal Ferrites.

The article presents results for the magnetic nanoparticles sol-gel method synthesis of cobalt (II) ferrite and organic-inorganic composite materials based on it. The obtained materials were characterized using X-ray phase analysis, scanning and transmission electron microscopy, Scherrer, Brunauer-Emmett-Teller (BET) methods. A composite materials formation mechanism is proposed, which includes a gelation stage where transition element cation chelate complexes react with citric acid and subsequently decompose under heating.

"Liquid-To-Solid" Conversion of Biomass Wastes Enhanced by Uniform Nitrogen Doping for the Preparation of High-Value-Added Carbon Materials for Energy Storage with Superior Characteristics.

Sustainable human development urgently calls for decreasing the cost of energy storage. Continuous massive consumption of dedicated carbon electrode materials with complex internal molecular architectures requires rethinking both the source of materials and the process of their production. Finding an efficient sustainable solution is focused on the reuse and development of waste processing into corresponding high-value-added carbon materials.

Changes in the Electrophysical Parameters of Nanomodified Elastomers Caused by Electric Current's Passage.

The development of reliable and effective functional materials that can be used in various technological fields and environmental conditions is one of the goals of modern nanotechnology. Heating elements' manufacturing requires understanding the laws of heat transfer under conditions of different supply voltages, as this expands the possibilities of such materials' application. Elastomers based on silicon-organic compounds and polyurethane modified with multi-walled carbon nanotubes (MWCNTs) were studied at various concentrations of Ni/MgO or Co-Mo/MgO and voltages (220, 250, and 300 V).

Influence of Various Coal Energy Wastes and Foaming Agents on Foamed Geopolymer Materials' Synthesis.

The regularities of obtaining foamed alkali-activated geopolymer materials based on different wastes of coal power engineering (fly ash, fuel (boiler) slag, ash, and slag mixture) were considered. The phase composition of the studied waste showed the presence of a significant amount of the amorphous phase, as well as a crystalline phase. mostly in the form of high quartz.

Recent Advantages on Waste Management in Hydrogen Industry.

The turn to hydrogen as an energy source is a fundamentally important task facing the global energetics, aviation and automotive industries. This step would reduce the negative man-made impact on the environment on the one hand, and provide previously inaccessible power modes and increased resources for technical systems, predetermining the development of an absolutely new life cycle for important areas of technology, on the other. The most important aspect in this case is the development of next-generation technologies for hydrogen industry waste management that will definitely reduce the negative impact of technology on the environment.

Improving the Properties of Porous Geopolymers Based on TPP Ash and Slag Waste by Adjusting Their Chemical Composition.

The possibility of improving the properties of porous geopolymer materials based on ash and slag waste from thermal power plants by adjusting their chemical composition is considered. An X-ray phase analysis of ash and slag wastes was carried out, the geopolymers' precursor compositions were calculated, and additives to correct their chemical composition were selected. The samples were synthesized and their physical and mechanical properties (density, porosity, compressive strength, thermal conductivity) were analyzed.

One-Step Access to Heteroatom-Functionalized Imidazol(in)ium Salts.

Imidazolium salts have ubiquitous applications in energy research, catalysis, materials and medicinal sciences. Here, we report a new strategy for the synthesis of diverse heteroatom-functionalized imidazolium and imidazolinium salts from easily available 1,4-diaza-1,3-butadienes in one step. The strategy relies on a discovered family of unprecedented nucleophilic addition/cyclization reactions with trialkyl orthoformates and heteroatomic nucleophiles.

A Brief Overview of Electrochromic Materials and Related Devices: A Nanostructured Materials Perspective.

Exactly 50 years ago, the first article on electrochromism was published. Today electrochromic materials are highly popular in various devices. Interest in nanostructured electrochromic and nanocomposite organic/inorganic nanostructured electrochromic materials has increased in the last decade.

Non-Isothermal Decomposition as Efficient and Simple Synthesis Method of NiO/C Nanoparticles for Asymmetric Supercapacitors.

A series of NiO/C nanocomposites with NiO concentrations ranging from 10 to 90 wt% was synthesized using a simple and efficient two-step method based on non-isothermal decomposition of Nickel(II) bis(acetylacetonate). X-ray diffraction (XRD) measurements of these NiO/C nanocomposites demonstrate the presence of β-NiO. NiO/C nanocomposites are composed of spherical particles distributed over the carbon support surface.

The key role of R-NHC coupling (R = C, H, heteroatom) and M-NHC bond cleavage in the evolution of M/NHC complexes and formation of catalytically active species.

Complexes of metals with N-heterocyclic carbene ligands (M/NHC) are typically considered the systems of choice in homogeneous catalysis due to their stable metal-ligand framework. However, it becomes obvious that even metal species with a strong M-NHC bond can undergo evolution in catalytic systems, and processes of M-NHC bond cleavage are common for different metals and NHC ligands. This review is focused on the main types of the M-NHC bond cleavage reactions and their impact on activity and stability of M/NHC catalytic systems.

New Bio-Based Furanic Materials Effectively Absorb Metals from Water and Exert Antimicrobial Activity.

Development of sustainable bio-based materials for removal of toxic contaminants from water is a high priority goal. Novel bio-based binary and ternary copolymers with enhanced ion-exchange, adsorption and antibacterial properties were obtained by using plant biomass-derived diallyl esters of furandicarboxylic acid (FDCA) as crosslinking agents and easily available vinyl monomers. The synthesized copolymer materials showed higher sorption capacities for Ni , Co and Cu compared to the commercial ion-exchange resins, and they maintained their high metal adsorption capacities for over 10 cycles of regeneration.