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In this work, we provide a computational methodological framework using the single-atom systems as an example material class for ammonia synthesis that is robust towards parameter selection. Applying this to Pt$_1$/g-C$_3$N$_4$,…

This work reports the synthesis, the physicochemical characterization and the electrochemical studies of new electrocatalysts (ECs) for the oxygen reduction reaction (ORR) that: (i) are based on a hierarchical graphene-based support; and…

We report on the growth and characterization of a new class of photocathode structures for application as electron sources to produce high brightness electron beams for accelerator applications. The sources are realized using III-Nitride…

Ammonia is a promising zero-carbon fuel for industrial and transport applications, but its combustion is hindered by flame instabilities, incomplete oxidation, and the formation of nitrogen oxides. Accurate and detailed kinetic models are…

Catalysts for oxygen reduction and evolution reactions are at the heart of key renewable energy technologies including fuel cells and water splitting. Despite tremendous efforts, developing oxygen electrode catalysts with high activity at…

The nanoparticle Co3Si (P63/mmc) displays remarkable magnetism [Appl. Phys. Lett. 108, 152406 (2016)], we thus searched cobalt silicides and several phases are searched including a Cmcm with 60 meV/atom lower than that of P63/mmc. A…

Na-ion batteries (NIBs), which are recognized as a next-generation alternative technology for energy storage, still suffer from commercialization constraints due to the lack of low-cost, high-performance cathode materials. Since our first…

Cubic spinel lithium manganese oxide (LiMn2O4) has been able to attract a great deal of attention over the years as a promising cathode material for large scale lithium ion batteries. Here a facile hydrothermal route followed by solid state…

An Ag-doped CuO-AgCl-g-C3N4 heterostructure has been designed to achieve rapid Methylene Blue (MB) degradation through a synergistic photo-Fenton mechanism driven by low-power UV illumination. The composite integrates narrow-bandgap CuO,…

L12 precipitates are known to significantly enhance the strength and ductility of single-phase face-centered cubic (FCC) medium- or high-entropy alloys (M/HEAs). However, further improvements in mechanical properties remain untapped, as…

The Bi-Te binary system, characterized by the homologous series of the (Bi2)m(Bi2Te3)n, has always attracted research interest for its layered structures and potential in advanced materials applications. Despite Bi2Te3 has been extensively…

We report an experimental study of the CoFe2O4/CoFe2 nanocomposite, a nanostructured material formed by hard (CoFe2O4) and soft (CoFe2) magnetic materials. The precursor material, cobalt ferrite (CoFe2O4), was prepared using the…

We report a comprehensive study of the low-level substitution of Mn$^{3+}$ by Fe$^{3+}$ effect on the static and dynamic magnetoelectric coupling in TbMn$_{1-x}$Fe$_x$O$_3$ ($x=0$, 0.02 and 0.04). The cationic substitution has a large…

MXene and its derivatives have attracted considerable attention for potential application in energy storage like batteries and supercapacitors owing to its ultrathin metallic structures. However, the complexity of the ionic and electronic…

Aqueous asymmetric electrochemical capacitor, with their high power density and superior cycle stability in comparison to conventional batteries, are presently considered as the most promising contender for energy storage. However,…

Pulsed laser-deposited amorphous carbon nanofoams are potential candidate for electrochemical energy storage applications due to ultra-light weight, large volumetric void fractions, and co-existence of sp, sp2 and sp3 carbon hybridization.…

In the present work, different synthesis procedures have been demonstrated to fill carbon nanotubes (CNTs) with $\mathrm{Fe}_{1-x}\mathrm{Ni}_x$ alloy nanoparticles (x = 0.33, 0.5). CNTs act as templates for the encapsulation of magnetic…

In this investigation, Gd and Mn co-doped Bi$_{0.85}$Gd$_{0.15}$Fe$_{1-x}$Mn$_x$O$_3$ (x=0.0-0.15) nanoparticles have been prepared to report the influence of co-substitution on their structural, optical, magnetic and electrical properties.…

We developed two-step solution-phase reactions to form hybrid materials of Mn3O4 nanoparticles on reduced graphene oxide (RGO) sheets for lithium ion battery applications. Mn3O4 nanoparticles grown selectively on RGO sheets over free…

Layered double-hydroxides (LDHs) are superior to the conventional (Transition Metal Oxides) TMOs as their lamellar morphology accommodates higher active sites contributing to the facile electron transfer towards the material degradation…