Advances in Functional Materials for Heterogeneous Electrocatalysis
A special issue of Molecules (ISSN 1420-3049).
Deadline for manuscript submissions: 31 March 2026 | Viewed by 14
Special Issue Editor
Special Issue Information
Dear Colleagues,
Heterogeneous electrocatalysis plays an important role in achieving sustainability in energy and water systems. Recent years have seen numerous exciting findings and fast developments in a variety of processes, including but not limited to CO2 reduction, nitrogen reduction, water splitting, H2O2 production, wastewater treatment, and methane oxidation.
The advances in heterogeneous electrocatalysis are closely related to the development of functional materials, as well as the establishment of the relationships among their structures, properties, and catalytic performances. Various experimental and computational tools, such as in situ characterization (e.g., X-ray absorption spectroscopy), density functional theory, microkinetic modeling, ab initio molecular dynamics, machine learning, and pair distribution function analysis, have been adopted to obtain mechanistic insights into electrode–electrolyte interfaces, which offer critical guidance on controlling the activity and selectivity of many different reactions.
This Special Issue invites the scientific community to share exciting results and unique perspectives on heterogeneous electrocatalysis with advanced functional materials, including but not limited to metal–organic frameworks, 2D materials, single-atom catalysts, transition metal chalcogenides, and layered double hydroxides. We welcome research articles that report new insights based on experimental results and/or computational analysis, and we also welcome review articles on this topic.
Dr. Xiang He
Guest Editor
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- interfacial interactions
- environmental sustainability
- energy conversion
- water remediation
- in situ characterization
- first-principles calculations
- machine learning
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.
Further information on MDPI's Special Issue policies can be found here.
