Design and Structure of Electrocatalytic Materials
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Materials for Energy Applications".
Deadline for manuscript submissions: 15 October 2025 | Viewed by 48
Special Issue Editor
Special Issue Information
Dear Colleagues,
Electrocatalytic materials are the cornerstone for advancing clean energy technologies, including water electrolysis for hydrogen production, CO2 reduction, and fuel cells. Their performance critically hinges on microscopic structure, electronic properties, and surface/interface chemistry. However, the rational design of electrocatalysts with high activity, durability, and cost-effectiveness remains a pivotal challenge in this field. This Special Issue, titled “Design and Structure of Electrocatalytic Materials”, aims to collate innovative research across material science, chemistry, and engineering, focusing on precise structural modulation strategies—from atomic-scale tailoring to macrostructural engineering—and elucidate fundamental structure–performance relationships.
Key topics of interest include the following: 1, Novel Material Design: emerging systems such as single-atom catalysts, 2D materials, alloys, and defect-engineered architectures; 2, Advanced Characterization and Simulation: applications of “in situ”/operando techniques, machine learning-guided design, and multiscale computational modeling; 3, Structure–Function Correlations: dynamic surface reconstruction, the evolution of active sites, and synergistic mass–charge transport mechanisms; and 4, Scalable Synthesis Strategies: industrial-scale catalyst fabrication and stability enhancement approaches.
We invite the submission of original research articles, reviews, and perspectives, particularly those integrating interdisciplinary methodologies and addressing real-world applications. By bringing together academia and industry, this Special Issue seeks to accelerate the translation of fundamental discoveries into scalable technologies, ultimately advancing sustainable energy systems.
Dr. Riming Hu
Guest Editor
Manuscript Submission Information
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Keywords
- electrocatalysts
- DFT
- structure–activity relationship
- structural regulation
- high-throughput screening and design
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