Shaping non-noble metal nanocrystals via colloidal chemistry

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The conversion of carbon dioxide into valuable chemicals through photochemical processes has been considered to be a potential technique to address environmental challenges. A good number of MOFs-based nickel (Ni-MOFs) compounds have garnered significant i ...

An equimolar NiCoFeCrGa high entropy alloy having dual-phase composition was studied, where the constituent phases exhibit distinct mechanical properties. Micropillars with various diameters were created from two differently heat treated samples, then they ...

Plasma-activated water (PAW) is increasingly recognized for its bactericidal properties. To advance this technology toward practical applications and deepen the understanding of its mechanisms, it is crucial to study the storage stability of PAW, focusing ...

Pyrene-based metal-organic frameworks (MOFs) have tremendous potential for various applications. With infinite structural possibilities, the MOF community often relies on simulations to identify the most promising candidates for given applications. Among t ...

The actinides possess a complex electronic structure, making their chemical and physical properties among the least understood in the periodic table. Advanced spectroscopic tools, able to obtain deep insights into the electronic structure and binding prope ...

Electrochemical CO2-to-ethanol conversion faces challenges due to competing ethylene formation. We demonstrate a strategy steering selectivity toward ethanol by modifying copper nanowires with N,N,N′,N′-tetramethylethylenediamine (TMe). The TMe-Cu catalyst ...

Cluster expansions are commonly employed as surrogate models to link the electronic structure of an alloy to its finite-temperature properties. Using cluster expansions to model materials with several alloying elements is challenging due to a rapid increas ...

High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development of novel heterog ...

The high toxicity, volatility, and dispersion of the light aromatics, benzene, toluene, and xylene (BTX) pose a serious threat to the environment and human health. Compared to incineration, catalytic oxidation technologies for BTX removal offer benefits su ...

Cu-catalyzed electrochemical CO2 reduction reaction (CO2RR) to multi-carbon (C2+) products is often plagued by low selectivity because the adsorption energies of different reaction intermediates are in a linear scaling relationship. Development of Cu-based ...

End-on binding of dinitrogen to low valent metal centres is common in transition metal chemistry but remains extremely rare in f-elements chemistry. In particular, heterobimetallic end-on N2 bridged complexes of lanthanides are unprecedented despite their ...

Electronic structure theory plays a central role in understanding properties of crystalline materials. Among all the ab initio methods, density functional theory (DFT) is the most popular choice due to its balance between accuracy and computational cost, a ...

Supported Co-based catalysts exhibit promising catalytic activities in the oxygen evolution reaction (OER) during alkaline water electrolysis. Surface functionalization of the support modulates the dispersion of the catalysts and their interaction with the ...

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

In this study, we report the influence of vanadium oxide (VO), as a photosensitive component, on the photoactivity of TiO2 nanotubes (TNTs). A series of TNTs of varying tube diameter were synthesized by the anodization of titanium foils at different voltag ...

In this manuscript, the improvement of solar disinfection (SODIS) for water treatment through the photo-Fenton reaction using iron replacements, namely calcined herbs and spices (thyme, cumin, cinnamon, ginger, and cocoa), naturally containing high content ...

Shaping non-noble metal nanocrystals via colloidal chemistry

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Recent Advances in Photocatalytic Co2 Reduction Into Valuable Products Using Nickel-based Metal-organic Frameworks

Micromechanics reveal strain rate dependent transition between dislocation mechanisms in a dual phase high entropy alloy

Plasma-activated water retains antimicrobial properties against Escherichia coli after 72 h of storage

Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks

Resonant inelastic X-ray scattering tools to count 5 f electrons of actinides and probe bond covalency

Amine modification enables selective CO2 electroreduction to ethanol via coupling of carbon-containing intermediates

Constructing multicomponent cluster expansions with machine-learning and chemical embedding

Surface segregation in high-entropy alloys from alchemical machine learning

Catalytic Oxidation of BTX (Benzene, Toluene, and Xylene) Using Metal Oxide Perovskites

Selective electroreduction of CO2 to C2+ products on cobalt decorated copper catalysts

Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides

The Electronic-Structure Genome of Inorganic Crystals

Understanding the role of surface oxygen-containing functional groups on carbon-supported cobalt catalysts for the oxygen evolution reaction

Murunskite - a new class of functional material

Effect of the Deposition of Vanadium-Oxide on the Photocatalytic Activity of TiO2 Nanotubes and Its Photodiode Performance Interfaced with CH3NH3PbI3 Single Crystal

Solar disinfection of drinking water at alkaline pH, assisted by ashes of spices and herbs containing catalytic metals, in a novel ?phyto-Fenton? process