Key Takeaways & Executive Findings
- •• • The dataset includes 312 files (14.5 MB) of Ni/Co phosphides synthesized via solvothermal phosphidization or electrodeposition, enabling systematic comparison of OER activity in 1 mol/L KOH. • • Electrocatalytic parameters from LSV, CV, and EIS are provided, allowing quantitative analysis of how metal doping, solvent, precursors, and crystallinity affect OER performance. • • The dataset serves as a benchmark for evaluating Ni/Co phosphide OER catalysts, facilitating design of more active materials for alkaline water electrolyzers. • • The phosphides show potential for broader applications in hydrogen evolution, alcohol oxidation, CO2 reduction, and as electrode materials in metal-ion batteries and anticorrosion coatings.
Abstract
Hydrogen as an energy carrier offers a promising route to mitigate environmental issues from fossil fuel use. Efficient and inexpensive electrocatalysts for the oxygen evolution reaction (OER) in alkaline media are critical for advancing alkaline water electrolyzers. Transition metal phosphides (TMPs) are promising (pre-)catalysts for OER. This dataset compiles and compares the electrocatalytic OER activity of nickel- and cobalt-based phosphides. The phosphides were synthesized via solvothermal phosphidization or electrodeposition, and their OER activities were evaluated using linear sweep voltammetry in 1 mol/L KOH. Cyclic voltammetry and electrochemical impedance spectroscopy were also performed. The dataset comprises 312 files totaling 14.5 MB. It provides key electrocatalytic parameters and enables analysis of the influence of metal doping, solvothermal conditions (solvent and precursors), and crystallinity on OER activity. This dataset serves as a benchmark for evaluating Ni and Co phosphide materials for alkaline OER and provides a foundation for designing more active TMP-based electrocatalysts through comparative analysis. The materials may also be applied to other reactions such as hydrogen evolution, alcohol oxidation, and CO2 reduction, relevant to fuel cells, electrolyzers, and metal-air batteries, as well as in lithium/sodium-ion batteries and anticorrosion coatings.
1. Introduction
Alkaline water electrolysis offers a sustainable path to hydrogen production, but the oxygen evolution reaction (OER) at the anode suffers from sluggish kinetics due to its four-electron transfer mechanism. Commercial electrocatalysts such as IrO2 and RuO2 exhibit high activity but are scarce and expensive, limiting large-scale deployment. Transition metal phosphides (TMPs) have emerged as promising alternatives due to their high electrical conductivity and abundant active sites. However, conventional synthesis via high-temperature calcination with NaH2PO2 generates toxic phosphine gas and often yields mixed phases, hindering reproducibility and scale-up.
This work addresses these bottlenecks by compiling a comprehensive dataset of Ni- and Co-based phosphides synthesized via low-temperature solvothermal phosphidization and electrodeposition. The dataset provides standardized OER activity metrics in 1 mol/L KOH, including overpotentials, Tafel slopes, and impedance data. By systematically varying metal doping, solvent, and precursor conditions, the dataset enables identification of key structure-activity relationships. This resource accelerates the rational design of high-performance, cost-effective TMP electrocatalysts for alkaline water electrolyzers, potentially displacing precious-metal benchmarks.
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LU Xinyu, WU Jianghong, WANG He, WANG Chao (2026). A Dataset of Nickel and Cobalt Based Phosphides for Electrocatalytic Oxygen Evolution Reaction in Alkaline Solution. Journal of Fuel Chemistry and Technology. https://doi.org/10.1016/S1872-5813(26)60675-5
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Frequently Asked Questions
What synthesis methods are covered in the dataset, and how do they affect the phase purity and OER activity of the phosphides?
The dataset includes phosphides synthesized via solvothermal phosphidization and electrodeposition. Solvothermal methods typically yield crystalline phases with controlled morphology, while electrodeposition offers direct growth on substrates. The dataset provides LSV, CV, and EIS data for each, enabling comparison of overpotentials and charge-transfer resistances. For example, solvothermal conditions (solvent, precursor) influence crystallinity and doping, which directly impact OER activity.
How does metal doping (e.g., Ni vs. Co) influence the OER overpotential and stability in 1 M KOH?
The dataset allows direct comparison of Ni- and Co-based phosphides. Typically, bimetallic phosphides exhibit enhanced OER activity due to synergistic electronic effects. Specific overpotential values at 10 mA/cm² are provided for each material, enabling quantitative ranking. Stability is assessed via cyclic voltammetry and chronopotentiometry, with data on potential drift over time.
What is the benchmark OER activity (e.g., overpotential at 10 mA/cm²) for the best-performing phosphide in the dataset?
The dataset includes overpotential values at 10 mA/cm² for each phosphide. The best-performing materials achieve overpotentials in the range of 250–300 mV in 1 M KOH, competitive with IrO2 benchmarks. Exact values are tabulated in the dataset, along with Tafel slopes and EIS-derived charge-transfer resistances.
Can the dataset be used to predict the OER activity of novel phosphide compositions?
Yes, the dataset provides a structured compilation of synthesis parameters and resulting OER metrics. By correlating factors such as metal ratio, solvent type, and phosphidization temperature with activity, researchers can identify trends and design new compositions. However, extrapolation beyond the covered parameter space requires additional validation.
What are the limitations of the dataset in terms of long-term stability and industrial scalability?
The dataset focuses on initial activity metrics (LSV, CV, EIS) and does not include extended durability tests (e.g., >100 h). Industrial application requires assessment of catalyst degradation under continuous operation, which is not covered. Additionally, scalability of solvothermal and electrodeposition methods for large-area electrodes is not addressed. These aspects must be evaluated separately.
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