Nanomaterial Texture-Based Machine Learning of Ciprofloxacin Adsorption on Nanoporous Carbon.

Drug substances in water bodies and groundwater have become a significant threat to the surrounding environment. This study focuses on the ability of the nanoporous carbon materials to remove ciprofloxacin from aqueous solutions under specific experimental conditions and on the development of the mathematical model that would allow describing the molecular interactions of the adsorption process and calculating the adsorption capacity of the material. Thus, based on the adsorption measurements of the 87 carbon materials, it was found that, depending on the porosity and pore size distribution, adsorption capacity values varied between 55 and 495 mg g.

Exploring the Influence of Ionic Liquid Anion Structure on Gas-Ionic Liquid Partition Coefficients of Organic Solutes Using Machine Learning.

This article presents an in-depth investigation into the influence of anionic structures of ionic liquids (ILs) on gas-ionic liquid partition coefficients (log ) of organic solutes in three ILs. While the primary objective was to examine whether there is a relationship between the molecular structure of the IL anion component and log , additionally it was looked at whether the molecular descriptors of the anion in the relationships encode possible molecular interactions during the miscibility and partitioning in the IL. The research involves the compilation of data series of experimental log values, where the cation component is constant.

Hierarchically Porous Fe-N-C Single-Atom Catalysts via Ionothermal Synthesis for Oxygen Reduction Reaction.

Platinum group metal (PGM)-free electrocatalysts have emerged as promising alternatives to replace Pt for the oxygen reduction reaction (ORR) in anion exchange membrane fuel cells (AEMFCs). However, traditional synthesis methods limit the single-atom site density due to metal agglomeration at higher temperatures. This work explores the preparation of hierarchically porous atomically dispersed electrocatalysts for the ORR.

One-Pot Synthesis of Pd Nanoparticles Supported on Carbide-Derived Carbon for Oxygen Reduction Reaction.

We explored two methods for synthesizing Pd nanoparticles using three different carbide-derived carbon (CDC) support materials, one of which was nitrogen-doped. These materials were studied for oxygen reduction reaction (ORR) in 0.1 M KOH solution, and the resulting CDC/Pd catalysts were characterized using TEM, XRD, and XPS.

Iron Triad-Based Bimetallic M-N-C Nanomaterials as Highly Active Bifunctional Oxygen Electrocatalysts.

The use of precious metal electrocatalysts in clean electrochemical energy conversion and storage applications is widespread, but the sustainability of these materials, in terms of their availability and cost, is constrained. In this research, iron triad-based bimetallic nitrogen-doped carbon (M-N-C) materials were investigated as potential bifunctional electrocatalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). The synthesis of bimetallic FeCo-N-C, CoNi-N-C, and FeNi-N-C catalysts involved a precisely optimized carbonization process of their respective metal-organic precursors.

Effect of Pore Size Distribution on Energy Storage of Nanoporous Carbon Materials in Neat and Dilute Ionic Liquid Electrolytes.

This study investigates three carbide-derived carbon (CDC) materials (TiC, NbC, and MoC) characterized by uni-, bi-, and tri-modal pore sizes, respectively, for energy storage in both neat and acetonitrile-diluted 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. A distribution of micro- and mesopores was studied through low-temperature N and CO adsorption. To elucidate the relationships between porosity and the electrochemical properties of carbon materials, cyclic voltammetry, galvanostatic cycling, and electrochemical impedance spectroscopy measurements were conducted using three-electrode test cells.

Cobalt Phthalocyanine-Doped Polymer-Based Electrocatalyst for Rechargeable Zinc-Air Batteries.

Rechargeable zinc-air batteries (RZAB) have gained significant attention as potential energy storage devices due to their high energy density, cost-effectiveness, and to the fact that they are environmentally safe. However, the practical implementation of RZABs has been impeded by challenges such as sluggish oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), including poor cyclability. Herein, we report the preparation of cobalt- and nitrogen-doped porous carbon derived from phloroglucinol-formaldehyde polymer networks with 2-methyl imidazole and cobalt phthalocyanine as precursors for nitrogen and cobalt.

Partial Oxidation to Extend the Lifetime of Nanoporous Carbon in an Ultracapacitor with LiSO Electrolyte.

A TiC-derived carbon (CDC) and its partially oxidized derivative (ox-red-CDC), oxidized by a modified Hummers method, were studied as promising electrode materials for electrochemical energy storage. To evaluate the electrochemical properties of the carbon materials, cyclic voltammetry, galvanostatic cycling, and electrochemical impedance spectroscopy measurements were performed in 1 M LiSO using 2- and 3-electrode cells. A partially oxidized surface was shown to improve the capacitance and electrochemical stability of a nanoporous CDC at positive potential values.

Machine Learning Quantitative Structure-Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons.

Ionic liquids (ILs) are known for their unique characteristics as solvents and electrolytes. Therefore, new ILs are being developed and adapted as innovative chemical environments for different applications in which their properties need to be understood on a molecular level. Computational data-driven methods provide means for understanding of properties at molecular level, and quantitative structure-property relationships (QSPRs) provide the framework for this.

Transition-Metal- and Nitrogen-Doped Carbide-Derived Carbon/Carbon Nanotube Composites as Cathode Catalysts for Anion-Exchange Membrane Fuel Cells.

Transition-metal- and nitrogen-codoped carbide-derived carbon/carbon nanotube composites (M-N-CDC/CNT) have been prepared, characterized, and used as cathode catalysts in anion-exchange membrane fuel cells (AEMFCs). As transition metals, cobalt, iron, and a combination of both have been investigated. Metal and nitrogen are doped through a simple high-temperature pyrolysis technique with 1,10-phenanthroline as the N precursor.