Yanfei Wang

Interfacial coupling with conductive Ti ₄ O ₇ overcomes the charge-transfer limitation of NiFe-LDH anodes in AWEs.

Proton exchange membrane water electrolysis (PEMWE) is currently limited by the sluggish kinetics and poor durability of the oxygen evolution reaction (OER). In this work, a structurally uniform IrB_160-4 catalyst was synthesized through a simple, scalable one-pot aqueous method. This template-free method enables near-quantitative yields and gram-scale preparation, with products rapidly separated via simple filtration. The catalyst consists of uniform, nanoclusters self-assembled from highly crystalline ~3 nm Ir nanoparticles. The optimized catalyst exhibits superior OER activity over commercial Ir-Black. The assembled proton exchange membrane electrolyzer, utilizing a low anodic iridium loading of 0.5 mg cm⁻², demonstrates excellent performance (2.0 A cm⁻² @ 1.79 V) and high durability (>1500 h). This synthesis strategy provides a feasible method for achieving efficient and stable PEM water electrolysis for hydrogen production.

The [CoO _x ] units in pyrochlore yield more oxygen vacancies (O _v ) to accelerate synthesis. Notably, the [CoO ₆ ] to [CoO ₄ ] transformation during the reaction suppresses O _v -induced lattice distortion, avoiding metal–insulator deactivation of pyrochlore.

The objective of this work was to develop a highly active hydrotreating catalyst for processing heavy gas oil to provide qualified feedstock for hydroisomerization or a hydrocracking unit. The NiMo/γ-Al₂O₃ catalysts doped with phosphate were prepared by introducing two kinds of additives, and the influencing factors for highly active hydrodenitrogenation (HDN) were revealed. TEM analysis results showed that the catalyst with a small MoS2 stack length tended to have high activity due to more active sites being exposed. Laser Raman spectroscopy demonstrated that the catalysts contained PMo₁₂O₄₀³⁻ metal active phases. For industrial heavy VGO feedstock, the nitrogen content can be reduced to 2 ppm with a hydrotreating process. The VI of the hydrotreated product can be improved from 132 to 145 after hydrotreatment, which is necessary to produce group III base oil as the most valuable base oil type. This work provides an insight into the high activity of hydrotreating catalysts for industrial lubricant hydroprocessing.

Electrocatalytic water splitting is vital for the sustainable production of green hydrogen. Electrocatalysts, including those for the hydrogen evolution reaction at the cathode and the oxygen evolution reaction at the anode, are crucial in determining the overall performance of water splitting. Traditional methods for electrocatalyst development often rely on trial-and-error, which can be time-consuming and inefficient. Recent advancements in computational techniques provide more systematic and predictive strategies for catalyst design. This review article explores the role of computational insights in the development of water-splitting electrocatalysts. We start by giving an introduction of electrocatalytic water splitting mechanisms. Then, fundamental theories such as the Sabatier principle and scaling relationships are reviewed, which provide a theoretical basis for catalytic activity. We also discuss thermodynamic, electronic, and geometric descriptors used to guide catalyst design and provide an in-depth discussion of their applications and limitations. Advanced computational approaches, including high-throughput screening, machine learning, solvation models and Ab initio molecular dynamics, are also highlighted for their ability to accelerate catalyst discovery and simulate realistic reaction conditions. Finally, we propose future research directions aimed at searching universal descriptors, expanding data sets, and integrating developing interpretable models with catalyst design.

This review focuses on the recent progress in improving the performance of PEMWEs by cross-scale optimization of the anode catalytic layer.

Poly(allylamine)-stabilized spherical and rod-shaped copper nanoparticles were synthesized by a simple chemical reaction. The synthesis was performed by the reduction of copper (II) salt with hydrazine in aqueous solution under atmospheric air in the presence of poly(allylamine) (PAAm) capping agent. Besides providing long-term stability to the nanoparticles by preventing particle agglomeration, polymer capping agents such as PAAm make the particles dispersible in aqueous solution. Noteworthy advantages of the synthetic method include its production of water dispersible nanoparticles at room temperature without inert atmosphere, making the synthesis more environmentally friendly. The resulting copper nanoparticles were investigated by UV-Vis spectroscopy and transmission electron microscopy. The authors found that several factors, including the amount of NaOH solution, concentration of PAAm, and reaction time, affect the composition, size, morphology, and degree of agglomeration of the resulting copper nanoparticles. The amount of NaOH in the reaction is crucial for the synthesis to result in either pure copper or copper oxide-containing copper nanoparticles as well as to produce the highest possible yield of copper nanoparticles. In addition, the reaction time and concentration of PAAm play key roles in controlling the size and shape of the nanoparticles, respectively. The resulting colloidal copper nanoparticles exhibit large surface-enhanced Raman spectroscopy (SERS) signals.