Discovering Electrochemistry with an Electrochemistry-Informed Neural Network (ECINN).

Machine learning is increasingly integrated into chemistry research by guiding experimental procedures, correlating structure and function, interpreting large experimental datasets, to distill scientific insights that might be challenging with traditional methods. Such applications, however, largely focus on gaining insights via big data and/or big computation, while neglecting the valuable chemical prior knowledge dwelling in chemists' minds. In this paper, we introduce an Electrochemistry-Informed Neural Network (ECINN) by explicitly embedding electrochemistry priors including the Butler-Volmer (BV), Nernst and diffusion equations on the backbone of neural networks for multi-task discovery of electrochemistry parameters.

A novel path towards limiting non-exhaust particulate matter emissions of a commercial friction material through the addition of metallurgical slag.

Keeping recycling and the circular economy in mind, this study explores the reduction in emission of a highly optimized, commercially employed friction material formulation through the addition of metallurgical slags from a basic oxygen furnace in varying quantities from 6 to 38 wt%. The various compositions were paired with a pearlitic grey cast iron counterface and tested on a pin on disc tribometer. The friction coefficient and pin wear increased with the slag addition but were still within the permissible limit when compared to the original formulation.

Vanadium oxide nanorods as an electrode material for solid state supercapacitor.

The electrochemical properties of metal oxides are very attractive and fascinating in general, making them a potential candidate for supercapacitor application. Vanadium oxide is of particular interest because it possesses a variety of valence states and is also cost effective with low toxicity and a wide voltage window. In the present study, vanadium oxide nanorods were synthesized using a modified sol-gel technique at low temperature.

Graphitic Carbon Nitride as a Platform for the Synthesis of Silver Nanoclusters.

Graphitic carbon nitride (CN) synthetized by the thermal polycondensation of melamine at 550 °C for 4 h was further exfoliated by heating at 500 °C for 3 h. Silver cations were adsorbed on the exfoliated graphitic carbon nitride (CNE) and then reduced by sodium borohydride forming silver nanoclusters (NCs) with a size of less than 1 nm. The NCs were located on the CNE surface and did not change the CNE properties except for its pore size distribution and thereby specific surface area (SSA).

Modification of Graphitic Carbon Nitride with Hydrogen Peroxide.

Graphitic carbon nitride (GCN) was synthetized by heating melamine and then it was thermally exfoliated for 1-3 h in air. Both bulk and exfoliated GCN nanomaterials were treated in the 10-30% aqueous solutions of HO for us to study their modification. The light absorption properties were observed by the reddish color and the red-shifts of their UV-Vis spectra.

The Effect of Temperature and Milling Process on Steel Scale Utilized as a Pigment for Ceramic Glaze.

This study is focused on the evaluation of the re-utilizability of scale originated during the steel casting and steel rolling processes as a pigment for glazes. Non-oiled scale with FeO as the major phase were used as a coloring component of transparent glaze matrix in: (i) as received state, (ii) thermally pre-treated at 700 and 900 °C, (iii) mechanically treated in planetary ball mill (60, 120 and 240 min) and (iv) mechanically treated in vibratory disc mill (60 and 120 min). Prepared glazes were applied on the surface of ceramic tiles prepared from a commercially available white ceramic slurry.

Photocatalytic Degradation of Selected Pharmaceuticals Using g-CN and TiO Nanomaterials.

Exfoliated graphitic carbon nitride (g-CN) and two commercially available nanomaterials from titanium dioxide (P25 and CG300) were tested for the photocatalytic degradation of paracetamol (PAR), ibuprofen (IBU), and diclofenac (DIC). Prior to photocatalytic experiments, the nanomaterials were characterized by common methods, such as X-ray diffraction (XRD), UV-VIS diffuse reflectance spectroscopy (DRS), Fourier transformed infrared spectroscopy in attenuated total reflection mode (FTIR-ATR), transmission electron microscopy (TEM), physisorption of nitrogen, and dynamic vapor adsorption (DVS) of water. The sizes and specific surface area (SSA) of the TiO nanoparticles were 6 nm and 300 m·g for CG300 and 21 nm and 50 m·g for P25.

Microstructure, Optical and Photocatalytic Properties of TiO₂ Thin Films Prepared by Chelating-Agent Assisted Sol-Gel Method.

Single and multilayer TiO₂ thin films coated on two types of soda-lime glass substrates (microscope slides and cylinders) were prepared by a chelating agent-assisted sol-gel method, using ethyl acetoacetate as a chelating agent, dip-coating and calcination at 500 °C for 2 h in air. Phase composition, microstructural, morphological and optical properties of thin films were comprehensively investigated by using XRF, advanced XRD analysis, Raman and UV-vis spectroscopy and AFM. It was found out that the thickness of thin films increases linearly with increasing number of deposited layers, indicating a good adhesion of the titania solution to a glass substrate as well as to a previously calcined layer.

Photocatalytical nanocomposites: a review.

This review focuses on photocatalytically active nanocomposites that are based on the photoactive nanoparticles, or nanostructured particles captured on the surface of the different powderized carriers. Nanosized and nanostructured oxides and sulfides with selected metal cations (Ti, Zn, Cd, Fe, etc.) are intensively studied as the photocatalysts for different purposes.

On airborne nano/micro-sized wear particles released from low-metallic automotive brakes.

The paper addresses the wear particles released from commercially available "low-metallic" automotive brake pads subjected to brake dynamometer tests. Particle size distribution was measured in situ and the generated particles were collected. The collected fractions and the original bulk material were analyzed using several chemical and microscopic techniques.

Structural ordering of organovermiculite: experiments and modeling.

The ordering of three different sizes of quaternary ammonium salts (QUATs) has been studied with respect to concentration of guests in the host's interlayer gallery. From the modeling, we could verify that small molecules of n-butylammonium salt build a monolayer structure in the vermiculite gallery without reference to concentration. On the other hand, the larger molecules of dodecyltrimethylammonium and dioctadecyldimethylammonium salts are responsive to the numbers of their molecules in the interlayer space of the host, building mono- or bilayered structures.

Preparation of Mg-vermiculite nanoparticles using potassium persulfate treatment.

Delamination/exfoliation process of the Mg-vermiculite (Letovice, Czech Republic), particles with size less than 5 microm, was studied after potassium persulfate treatment and compared with known method utilized hydrogen peroxide treatment. X-ray powder diffraction (XRPD) patterns showed that treatment of Mg-vermiculite with different molar concentration of potassium persulfate: c = 0.02, 0.

Preparation of vermiculite nanoparticles using thermal hydrogen peroxide treatment.

Powdered natural Mg-vermiculite (Letovice, Czech Republic), with the formula (Mg0.35K0.02Ca0.