Carbon nanotubes (CNTs)-supported Pt nanoparticles were prepared with selective deposition of Pt nanoparticles inside and outside CNTs (Pt–in/CNTs and Pt–out/CNTs). The effects of Pt loading and reaction solvents on phenol hydrogenation were investig...
Quantum computing leverages the principles of quantum mechanics in novel ways to tackle complex chemistry problems that cannot be accurately addressed using traditional quantum chemistry methods. However, the high computational cost and available num...
Ru-Sn/TiO2 is an effective catalyst for hydrogenation of aqueous acetic acid to ethanol. In this paper, a similar hydrogenation process was investigated in a flow-type rather than a batch-type reactor. The optimum temperature was 170 °C for the b...
Upcycling Cr-containing sulfate waste into catalysts for CO2 hydrogenation reaction benefits both pollution mitigation and economic sustainability. In this study, FeCrO3/Fe2O3 catalysts were successfully prepared by a simple hydrothermal method using...
Ru-Zn catalysts were synthesized via a precipitation method, and the mechanism of NaOH modifying Ru-Zn catalysts on the selective hydrogenation of benzene to cyclohexene was thoroughly investigated. Fresh as well as used catalysts were characterized...
Supported copper has a great potential for replacing the commercial palladium-based catalysts in the field of selective alkynes/alkadienes hydrogenation due to its excellent alkene selectivity and relatively high activity. However, fatally, it has a...
Metal-nanocluster-doped porous composite materials are attracting considerable research attention, due to their specific catalytic performance. Here we report a simple, cheap, and efficient strategy for the preparation of palladium hydrogenation cata...
The electrocatalytic hydrogenation reaction of naringin derivated chalcone is studied. The reaction is carried out with different catalysts in order to compare with the classic catalytic hydrogenation.
Monometallic Ru catalysts with different particle size were prepared via a precipitation method and reduced at different temperatures. In addition, their catalytic activity towards cyclohexene formation from selective hydrogenation of benzene was inv...
Background: The issue of renewable energy (RE) source intermittency, such as wind and solar, along with the geographically uneven distribution of the global RE potential, makes it imperative to establish an energy transport medium to balance the ener...
Partial hydrogenation of anthracene under CO-H2O, N2-H2O, and H2-H2O over Fe-based catalysts was studied at 400 °C and 10 MPa. Results show that the Fe-based catalysts display obvious catalytic activity for anthracene hydrogenation under CO-H2O i...
We used density functional theory with a hybrid functional to investigate the structure and properties of [4H]Si (hydrogarnet) defects in α-quartz as well as the reactions of these defects with electron holes and extra hydrogen atoms and ions....
Multiple-phase hydrogen storage materials such as metal alanates and borohydrides, and destabilized systems offer the possibility of high hydrogen storage capacity with favorable thermodynamics. However, the multiphase nature of these materials intri...
This review summarizes recent progress in the development of cobalt-based catalytic centers as the most potentially useful alternatives to noble metal-based electrocatalysts (Pt-, Ir-, and Ru-based) towards the oxygen reduction reaction (ORR), oxygen...
The production of hydrogen through electrochemical water splitting driven by clean energy becomes a sustainable route for utilization of hydrogen energy, while an efficient hydrogen evolution reaction (HER) electrocatalyst is required to achieve a hi...
Hydrogen evolution reaction (HER) is one of the most important reactions in electrochemistry. This is not only because it is the simplest way to produce high purity hydrogen and the fact that it is the side reaction in many other technologies. HER ac...
Nitrogenous compounds have been extensively utilized as hydrogen atom transfer (HAT) catalysts in photoredox reactions, with nitrogenous radical cations being the actual hydrogen atom abstractors. Building upon our previous work, 120 thermodynamic gr...
Amid global energy challenges, the hydrogen evolution reaction (HER) is gaining traction for green hydrogen production. While catalyst research is ongoing, recognizing electrolyte effects remains crucial for sustainable hydrogen production via renewa...
The catalytic cracking of pyrolysis gasification tar into H2 has garnered significant attention due to its exceptional conversion efficiency. In this study, the effects of pollutant concentration, residence time, weight hourly space velocity (WHSV),...
Hydrogen has emerged as an important candidate for clean energy, owing to its environmentally friendly advantages. Electrolytic hydrogen production stands out as the most promising technology for hydrogen production. Therefore, the design of highly e...
An increasing emphasis on energy storage has resulted in a surge of R&D efforts into producing catalyst materials for the hydrogen evolution reaction (HER) with emphasis on decreasing the usage of platinum group metals (PGMs). Alkaline water elec...
Hydrogen is one of the potential fuels that is easily stored in ammonia compounds and reacts with oxygen in an environmentally friendly manner, producing water and transferring a significant amount of heat for powering mechanical facilities or transp...
The effect of Mo content of 1400 MPa-grade high-strength bolt steel on hydrogen diffusion behavior and the hydrogen evolution reaction were studied using a hydrogen permeation experiment, potentiodynamic polarization tests, thermal desorption spectro...
This study is focused on the development of liquid organic hydrogen carriers (LOHC) based on N-heterocyclic compounds. These LOHC-substrates are attractive for their lower hydrogen extraction temperature compared to cycloalkanes, which is caused by t...
We systematically investigated the hydrogen evolution reaction (HER) of six facets of MoP 2 based on the periodic density functional theory (DFT). The calculated values of Gibbs free energy of hydrogen adsorption ( Δ G H ) i...
Surface charges of catalysts have important influences on the thermodynamics and kinetics of electrochemical reactions. Herein, we develop a modified version of the grand-canonical potential kinetics (GCP-K) method based on density functional theory...
Green hydrogen production via electrocatalytic water splitting paves the way for renewable, clean, and sustainable hydrogen (H2) generation. H2 gas is produced from the cathodic hydrogen evolution reaction (HER), where the reaction is catalyzed prima...
Developing cost-effective and high-performance non-precious metal-based electrocatalysts for hydrogen evolution reaction is of crucial importance toward sustainable hydrogen energy systems. Herein, we prepare a novel hybrid electrode featuring interm...
A key challenge in the development of sustainable water-splitting (WS) systems is the formulation of electrodes by efficient combinations of electrocatalyst and binder materials. Cellulose, a biopolymer, can be considered an excellent dispersing agen...
Reaction conditions (RCs) are a crucial part of reaction definition, and their accurate prediction is an important component of chemical synthesis planning. The existence of multiple combinations of RCs capable of achieving the desired result complic...
Two-dimensional transition-metal dichalcogenides (TMDs) are considered as the next generation of hydrogen evolution electrocatalysts due to their adjustable band gap, near-zero Gibbs free energy, and lower cost compared to noble metal catalysts. Howe...
The preparation of rhenium powder by a hydrogen reduction of ammonium perrhenate is the only industrial production method. However, due to the uneven particle size distribution and large particle size of rhenium powder, it is difficult to prepare hig...
Metallurgical processes are characterized by a complex interplay of heat and mass transfer, momentum transfer, and reaction kinetics, and these interactions play a crucial role in reactor performance. Integrating chemistry and transport results in st...
For spark ignition and compression ignition ammonia engines, a typical approach to ensure stable operation involves the blending of ammonia with hydrogen and diesel, respectively. For the ammonia/hydrogen fuel, in this study a comprehensive compariso...
Accurate thermochemical data are of great importance in developing quantitatively predictive reaction mechanisms for transportation fuels, such as diesel and jet fuels, which are primarily composed of large hydrocarbon molecules, especially large str...
For the first time, graphene-phosphorene structures were synthesized using the plasma-assisted electrochemical method. The catalytic activity of the composite obtained in the electrolytic plasma mode and its mixtures with few-layer graphene structure...
Hydrogen is regarded as a key renewable energy source to meet future energy demands. Moreover, graphene and its derivatives have many advantages, including high electronic conductivity, controllable morphology, and eco-friendliness, etc., which show...
A hydrogen fuel cell is a highly promising alternative to fossil fuel sources owing to the emission of harmless byproducts. However, the operation of hydrogen fuel cells requires a constant supply of highly pure hydrogen gas. The scarcity of sustaina...
Electrochemical water splitting is an efficient and eco-friendly method for hydrogen production, offering a sustainable energy solution. Currently, the noble metal platinum is considered to be the most efficient catalyst for electrochemical hydrogen...
The effect of the nature of the catalyst on the performance and mechanism of the hydrogen oxidation reaction (HOR) is discussed for the first time in this work. HOR is an anodic reaction that takes place in anionic exchange membrane fuel cells (AEMFC...
This work aims at investigating the kinetic mechanisms of the reduction/oxidation (redox) reactions of iron oxide/iron pellets under different operating conditions. The reaction principle is the basis of a thermochemical hydrogen storage system. To s...
Graphdiyne and its analogs are a series of artificial two-dimensional nanomaterials with sp hybridized carbon atoms, which can be viewed as the insertion of two acetylenic units between adjacent aromatic rings, evenly expanded on a flat surface. Alth...
Transition-metal dichalcogenides (TMDs) materials have attracted much attention for hydrogen evolution reaction (HER) as a new catalyst, but they still have challenges in poor stability and high reaction over-potential. In this study, ultra-thin SnS2...
Induction and reaction times of hydrogen–air mixtures (ϕ = 0.5–2) have been measured behind reflected shock waves at temperatures of 1000–1600 K, pressures of 0.1, 0.3, 0.6 MPa in the domain of the extended second explosion lim...
The search for renewable energy resources has attracted considerable research interests in electrochemical reactions of hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) that are essential for fuel cells. Earth-abundant, eco-frien...
Hydrogen energy is a plentiful and environmentally friendly form of secondary energy that could play a crucial role in achieving global energy sustainability. At the same time, the electrolysis of water for hydrogen production is a significant future...
As a sustainable and clean energy source, hydrogen can be generated by electrolytic water splitting (i.e., a hydrogen evolution reaction, HER). Compared with conventional noble metal catalysts (e.g., Pt), Mo based materials have been deemed as a prom...
The development of noble-metal-free electrocatalysts is regarded as a key factor for realizing industrial-scale hydrogen production powered by renewable energy sources. Inspired by nature, which uses Fe- and Ni-containing enzymes for efficient hydrog...
While cobaloximes have been protagonists in the molecular (photo)catalytic hydrogen evolution reaction field, researchers originally shed light on the catalytically active metallic center. However, the specific chemical environment of cobalt, includi...
In this study, we developed a method for creating an active layer based on a composite material consisting of chitosan and an anisotropic network of nickel fibers (Chitosan/Ni + NiFs). Using this chitosan biopolymer matrix and anisotropic network, we...
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