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The successful synthesis of high entropy alloy (HEA) nanoparticles, a long-sought goal in materials science, opens a new frontier in materials science with applications across catalysis, electronics, structural alloys, and energetic…
Large ammonia clusters represent a model system of ices which are omnipresent throughout the space. The interaction of ammonia ices with other hydrogen-boding molecules such as methanol or water and their behavior upon an ionization are…
Atmospheric pressure plasma (APP) generates highly reactive species that are useful for surface activations. We demonstrate a fast regeneration of iron oxides, that are popular catalysts in various industrial processes, using…
Vapor generation is of prime importance for a broad range of applications: domestic water heating, desalination and wastewater treatment, etc. However, the slow and low efficiency evaporation limits their development. In this paper, we…
A new steady-state kinetic model of ammonia decomposition is presented and analyzed regarding the electronic properties of metal catalysts. The model is based on the classical Temkin-Ertl mechanism and modified in accordance with…
The high-pressure growth technique is a vital approach that facilitates the stabilization of new phases and allows for meticulous control of structural parameters, which significantly impact electronic and magnetic properties. We present a…
Iron- and steelmaking cause ~7% of the global CO2 emissions, due to the use of carbon for the reduction of iron ores. Replacing carbon by hydrogen as the reductant offers a pathway to reduce emissions. However, production of hydrogen using…
We investigate the microscopic processes leading to graphene growth by the chemical vapor deposition of propane in the argon atmosphere at the SiC surface. Experimentally, it is known that the presence of argon fastens the dehydrogenation…
We investigate the atmospheric oxidation of mercury Hg(0) by halogens, initiated by Br and I to yield Hg(I), and continued by I, Br, BrO, ClO, IO, NO2 and HO2 to yield Hg(II) or Hg(0), using computational methods with a focus on the…
This work proposes an effective thermal activation method with low technical effort for industrially produced titanium-iron-manganese powders (TiFeMn) for hydrogen storage. In this context, the influence of temperature and particle size of…
Integrating renewable generation, hydrogen production, and renewable ammonia (RA) synthesis into power-to-ammonia (P2A) systems creates interactions across electricity and hydrogen markets. Limited operational flexibility, however, places…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…
Hexagonal boron nitride (h-BN) is a critical material for 2D electronic devices for graphene and has attracted a considerable amount of attention owing to its structural similarity and semiconducting property. However, modifying its…
Hydrogenated amorphous carbon (a-C:H) has been proposed as one of the carbonaceous solids detected in the interstellar medium. Energetic processing of the a-C:H particles leads to the dissociation of the C-H bonds and the formation of…
The formation of boron carbide under high pressures and from elemental reactants has been studied and optimum parameters have been determined by varying the (P, T, reactants) conditions. To this end, stoichiometric mixtures of commercial…
The building climate industry and its influence on energy consumption have consequences on the environment due to the emission of greenhouse gasses. Improving the efficiency of this sector is essential to reduce the effect on climate…
The discovery of graphene, a single layer of covalently bonded carbon atoms, has attracted intense interests. Initial studies using mechanically exfoliated graphene unveiled its remarkable electronic, mechanical and thermal properties.…
A hot filament chemical vapor deposition is an attractive technique to deposit carbon films of different applications. In this technique, it is also feasible to study the influence of chamber pressure in the deposition of carbon films. In…
Silver-iron carbon nitride has been obtained by pyrolysis (under inert atmosphere) of silver hexacyanoferrate(II), precipitated on graphene nanoplatelets, and examined as electrocatalyst for oxygen reduction reaction in alkaline media in…
High-entropy order-disorder phase transitions can be used for efficient and eco-friendly barocaloric solid-state cooling. Here the barocaloric effect is reported in an archetypal plastic crystal, adamantane. Adamantane has a colossal…