Structure–Property Correlations in Electrocatalysis: Role of Chemistry, Phases, and Morphology
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".
Deadline for manuscript submissions: 28 February 2026 | Viewed by 17
Special Issue Editor
Interests: electrochemistry; electroplating; electrocatalysis; noble-metal alloys; semiconductors synthesis
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The development of efficient and durable electrocatalysts is essential for advancing sustainable energy technologies such as water splitting, fuel cells, and CO2 conversion. A key challenge is understanding how chemistry, crystal phases, and morphology control catalytic performance at the molecular level.
This Special Issue will focus on structure–property correlations in electrocatalysis, showcasing how strategies such as alloying (including high-entropy concepts), defect and interface engineering, and nanostructure/porosity design can optimize activity and stability. We also welcome studies that employ advanced characterization (in situ/operando methods, electrochemical analysis) and theoretical or data-driven approaches (DFT, CALPHAD, machine learning) to link structure with function.
The scope spans a wide range of materials—from noble-metal and transition-metal systems to oxides, carbides, nitrides, chalcogenides, semiconductors, and hybrids. Contributions may be fundamental or application-oriented, covering topics from mechanistic insights to electrodes for electrolyzers, fuel cells, CO₂ reduction, and related technologies.
We invite original research articles, reviews, and perspectives. Areas of interest include, but are not limited to, the following:
- Composition–phase–morphology–performance relationships;
- Alloy design and high-entropy electrocatalysts;
- Nanostructuring and porosity engineering;
- Defect and interface modification;
- Molten salt and electrodeposition synthesis;
- In situ/operando studies of active sites and stability;
- Theoretical modeling and machine learning in catalyst design.
Dr. Dawid Kutyła
Guest Editor
Manuscript Submission Information
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Keywords
- electrocatalysis
- structure–property correlations
- chemical composition
- phases
- morphology
- porous electrodes
- high-entropy alloys
- molten salts
- semiconductors
- nanostructures
- operando methods
- hydrogen/oxygen evolution
- CO2 reduction
- fuel cells
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