Key Takeaways & Executive Findings
- •• • The dataset comprises 203 non-noble transition metal phosphide catalysts, with performance metrics including overpotential at 10 mA/cm² (η10) and Tafel slope, enabling statistical benchmarking of HER activity. • • SHAP analysis identified phosphorus content, nickel content, and phosphidation temperature as the most critical features influencing HER performance, providing quantitative guidance for catalyst design. • • The dataset integrates preparation details, multi-element compositions, and testing conditions, allowing machine learning models to predict catalytic performance with validated effectiveness. • • The structured and standardized data resource supports rapid screening and rational development of high-performance HER catalysts, addressing the bottleneck of slow reaction kinetics in water electrolysis.
Abstract
This dataset compiles the hydrogen evolution reaction (HER) performance data of 203 non-noble transition metal phosphide (TMP) catalysts, covering detailed information on catalyst preparation (e.g., phosphating temperature, precursor, synthesis method), chemical composition (mass fractions of elements such as Ni, Co, Fe, P, Mo, W and Zn), and testing conditions (e.g., electrolyte type and concentration, electrode substrate). The key parameters for catalytic performance include the overpotential at 10 mA/cm2 (η10) and the Tafel slope. This dataset has been rigorously extracted, cleaned, and standardized to ensure a high degree of structure and machine readability. This provides a reliable data foundation for data-driven methods, such as machine learning and statistical modeling, enabling rapid screening and design of high-performance HER catalysts, supporting performance prediction, in-depth structure-activity analysis and the rational development of novel catalysts.
1. Introduction
Hydrogen production via water electrolysis is hindered by the sluggish kinetics of the hydrogen evolution reaction (HER), necessitating high-performance electrocatalysts. Noble metals like platinum set the performance benchmark but are scarce and costly, limiting large-scale application. Transition metal phosphides (TMPs) have emerged as promising non-noble alternatives due to their unique electronic restructuring, metallic-like conductivity, and corrosion resistance in acidic and alkaline media.
However, the vast parameter space of TMP synthesis and composition complicates catalyst optimization. This dataset addresses this bottleneck by systematically compiling HER performance data from 203 TMP catalysts, standardizing preparation details, elemental compositions, and testing conditions. By enabling data-driven analysis and machine learning, it accelerates the discovery of high-performance catalysts, offering a pathway to cost-effective green hydrogen production.
Loading authentic research manuscript (Pages 1–5)...
ZHU Teng, WANG Huanhuan, LI Yuming (2026). A dataset for electrocatalytic hydrogen evolution reaction performance of non-noble transition metal phosphides. Journal of Fuel Chemistry and Technology. https://doi.org/10.1016/S1872-5813(26)60693-7
Research & Educational Purpose Only: The translations, structured abstracts, analytical annotations, and data reports provided by SinoGreenTechare intended exclusively for academic research, internal corporate R&D, and educational benchmarking. They do not constitute formal engineering, chemical safety, legal, or professional advice.
Copyright & Intellectual Property Notice: Original copyright of the underlying source articles and experimental data remains with the respective authors, institutions, and original publishing journals. SinoGreenTech claims intellectual property only over its proprietary translations, analytical syntheses, and AEO structured enhancements in accordance with international fair use and academic citation principles.
Frequently Asked Questions
What are the most influential synthesis parameters affecting HER performance in TMP catalysts?
SHAP analysis identified phosphorus content, nickel content, and phosphidation temperature as the most critical features, quantitatively linking these parameters to overpotential and Tafel slope.
How does the dataset ensure reliability for machine learning applications?
The dataset was rigorously extracted, cleaned, and standardized, ensuring high structure and machine readability, which is essential for training predictive models.
What performance metrics are included and why are they important?
The overpotential at 10 mA/cm² (η10) and Tafel slope are included as they directly reflect catalytic activity and reaction kinetics, respectively, serving as benchmarks for catalyst comparison.
Can this dataset be used to predict HER performance of novel TMP compositions?
Yes, the dataset's structure and the validated machine learning models enable performance prediction for new catalyst formulations, accelerating the design of high-performance materials.
What is the scope of catalyst compositions covered in the dataset?
The dataset covers non-noble transition metal phosphides, including elements such as Ni, Co, Fe, P, Mo, W, and Zn, with mass fractions recorded for each.
Related Chinese Research & Cross-Citations
Recent Advances in Carbon-Based Materials for CO2 Capture and Utilization
CO2 capture and utilization (CCU) technologies are critical for mitigating global warming and promoting resource circularity. Carbon-based materials, with tunable pore structures, abundant active sites, high specific surface area, and excellent chemical stability, show significant potential for CO2 capture and conversion. This review systematically analyzes the adsorption behaviors and performance variations of activated carbon, porous carbon, graphene, and carbon nanotubes in CO2 capture. For utilization, recent advances in catalytic applications for methanation, reverse water-gas shift (RWGS), dry reforming of methane (DRM), and alcohol synthesis are emphasized. The benefits and drawbacks of carbon materials regarding adsorption capacity, catalytic activity, and stability are evaluated, and their potential in integrated CCU technologies is discussed. Key strategies for enhancing performance through structural modulation and surface modification are elucidated. This review provides theoretical guidance for future development and large-scale implementation of carbon-based materials in CCU.
Fabrication and Microwave Absorption Performance of FexOy/TiO2/C Composites Derived from Red Mud
Red mud, an industrial solid waste from alumina production, poses severe environmental challenges. This study presents a resource-efficient strategy to convert red mud into high-performance microwave absorbing materials. FexOy/TiO2/C composites were synthesized via a sol-gel method using starch as carbon source, followed by carbothermal reduction. The phase composition and microstructure were optimized by adjusting calcination temperature and raw material ratio. The optimal sample, RmCT-5.4-700, exhibited a minimum reflection loss (RLmin) of -30.2 dB at 14.0 GHz with an effective absorption bandwidth (EAB) of 5.3 GHz at a coating thickness of 2.0 mm. The superior absorption performance is attributed to the synergistic effects of dielectric components (TiO2, graphitized carbon) and magnetic components (Fe3O4/Fe). Carbothermal reduction introduces defects that induce dipole polarization, while the conductive network formed by graphitized carbon and Fe3O4/Fe particles enhances conductive loss. Heterogeneous interfaces between Fe3O4, Fe, TiO2, and the red mud matrix promote interfacial polarization. The magnetic loss of Fe3O4/Fe improves impedance matching, facilitating electromagnetic wave penetration and absorption. This work not only provides a novel route for red mud valorization but also contributes to the high-value utilization of solid wastes.
Damage Mechanism of High Chromia Refractory in the Slag Tapping Hole of Commercial Entrained-Flow Gasifiers
The service life of refractory bricks in the slag tapping hole of entrained-flow gasifiers is a critical bottleneck for long-term stable operation. This study investigated the damage mechanism of high chromia refractories in four commercial coal-water slurry gasifiers by analyzing gasification coal samples and corroded refractory bricks. Slag characteristics, including crystallization and viscosity-temperature behavior, were evaluated. Results revealed that low-viscosity slag induces more severe refractory damage. To mitigate slag crystallization risk, a safe slag tapping temperature range is recommended as tICT−t2.5 when tICT exceeds t25. Interior morphology of corroded bricks exhibited cracks, primarily attributed to molten slag penetration and subsequent reactions with refractory material. SEM-EDS analysis of slag-aggregate and slag-matrix interfaces identified reduction in Cr2O3 content as the earliest damage characteristic. XRD detected no zirconium-containing spinel in cracks, indicating that thermal expansion mismatch between newly formed phases and the refractory matrix drives crack propagation. A damage mechanism is proposed: initial Cr2O3 depletion compromises both matrix and aggregate, facilitating slag ingress and new phase formation, ultimately leading to structural failure. Early detection or prevention of Cr2O3 reduction is essential to prolong refractory service life.
Research advances in the pyrolysis recycling of waste wind turbine blades
The global energy landscape is undergoing a profound transformation, with wind energy gaining increasing prominence due to its clean and renewable nature. However, as installed wind power capacity expands, disposal of waste wind turbine blades (WWTB) has emerged as a significant challenge. These blades are predominantly composed of epoxy resin (EP) polymers, carbon fibers (CFs), and glass fibers (GFs). Improper disposal exacerbates environmental concerns and leads to loss of valuable resources, particularly carbon-based materials. Pyrolysis technology, a versatile and environmentally sustainable method for resource recovery, has garnered considerable attention for WWTB disposal. This work presents a comprehensive review of pyrolytic recycling of WWTB, focusing on principles and classifications of pyrolysis technology, key factors influencing the pyrolysis process, as well as pyrolysis methods, equipment, products, and their applications. Through in-depth analysis of current research, this review identifies critical unresolved issues and provides a forward-looking perspective on emerging research trends. The review highlights that pyrolysis can effectively recover glass fibers and carbon fibers with mechanical property retention depending on process conditions, and that catalytic pyrolysis can enhance the quality of recovered products. Economic analysis indicates that collaborative disposal methods can improve cost-effectiveness. Future research should focus on optimizing process parameters for large-scale industrial application and developing more efficient catalysts to improve product selectivity and fiber quality.
Citric Acid-Modified HUSY Zeolite Catalyzes Alkylation of Phenol with Cyclohexanol for High-Density Aviation Fuel Precursors
Lignin-derived oxygenated aromatics, particularly phenols and aromatic ethers, are promising feedstocks for synthesizing high-density, high-heat-sink aviation fuels via alkylation-hydrogenation processes. This study systematically evaluates the catalytic performance of various zeolites (Hβ, HZSM-5, MCM-41, and HUSY) in the alkylation of phenol with cyclohexanol. Characterization demonstrates that HUSY zeolite exhibits superior catalytic activity due to its favorable pore architecture and well-balanced acid site distribution, which synergistically facilitate molecular diffusion and catalytic transformations. To further enhance catalytic properties, HUSY was modified with citric acid at various concentrations and compared with NaOH and oxalic acid treatments. Results reveal that citric acid treatment preserves crystallinity while modulating acidity and pore structure. All modified zeolites enhance phenol alkylation activity. Notably, HUSY-0.5M, exhibiting the highest medium-strong acid to total acid ratio, achieves superior performance: 80.4% phenol conversion and 99.6% selectivity for alkylation products. The catalyst also shows high activity for various lignin-derived compounds (p-cresol, anisole, guaiacol), demonstrating broad applicability. This work provides a new strategy for valorizing lignin-derived phenols into high-value fuel precursors through alkylation.
Hydrogen Production and Structure Evolution Mechanism during Thermochemical Conversion of Microalgae Pellet in Molten Hydroxide Salts
This study investigates the thermochemical conversion behavior of microalgae pellets in a molten hydroxide salt (80% NaOH-20% Na2CO3) system and its influence on hydrogen production. By comparing temperature evolution, gas release characteristics, and structural evolution of pellets with and without molten salt, and integrating char alkalization experiments, the regulatory mechanism of molten salt on reaction pathways and hydrogen production was systematically analyzed. Results indicate that molten salt significantly enhances internal heat transfer efficiency, achieving a central heating rate of 177 °C/s, effectively alleviating thermal hysteresis. Concurrently, molten salt promotes pore development through penetration, erosion, and catalytic effects, resulting in a porosity increase of 53.2%–104.3% after 10 s of reaction. Conversion efficiency is markedly improved, with the dominant reaction pathway shifting to char alkalization after only 70 s. Furthermore, when heating rate is increased above 600 °C, hydrogen yield from char alkalization improves more significantly, primarily attributed to the synergistic promotion of molten salt catalysis and rapid heating on volatiles reforming. This study provides a theoretical foundation for understanding efficient hydrogen production from biomass in molten hydroxide salts.