Call for Papers: Atomic Dispersion and Active-Site Engineering in Electrocatalysis

The rapidly advancing field of electrocatalysis is increasingly shaped by the ability to design, isolate, and control active sites at the atomic scale. From single‑atom catalysts to precisely engineered coordination environments, atomic‑level structural control has opened new directions for enhancing catalytic activity, selectivity, and durability across energy‑relevant reactions. This Special Issue invites cutting‑edge research and critical perspectives that advance fundamental understanding and practical implementation of atomic dispersion and active‑site engineering in electrocatalytic systems.

This Special Issue at ACS Materials Letters aims to showcase innovative approaches to the design and engineering of atomically dispersed electrocatalysts, uncover mechanistic insights into active site behavior, and bridge the gap between model studies and device‑relevant conditions. Both experimental and theoretical contributions are encouraged.

Topics include, but are not limited to:

1. Synthesis and Structural Design

• Methods for preparing single‑atom, dual‑atom, and few‑atom catalysts
• Stabilization of atomic sites via defect engineering, heteroatom doping, and metal–support interactions
• Design of tailored coordination environments using carbon materials, oxides, nitrides, MOFs, and COFs
• Scalable routes for atomically dispersed catalyst fabrication

2. Advanced Characterization and Mechanistic Insights

• In‑situ and operando spectroscopies and microscopies (XAS, XPS, TEM, IR, Raman, STM/AFM)
• Tracking active site evolution and structural dynamics under operating conditions
• Identification of true active sites vs. spectator species
• Quantitative analysis of coordination structures and oxidation states

3. Theory, Modelling, and Data‑Driven Discovery

• DFT and multiscale modelling of atomic sites and reaction pathways
• Machine learning, AI‑guided design, and high‑throughput screening
• Structure–property relationships and reaction mechanism exploration
• Modelling catalyst stability, poisoning, and degradation

4. Electrocatalytic Applications

• HER, OER, and ORR using atomically dispersed catalysts
• CO₂ reduction pathways tuned by coordination environment design
• Nitrogen reduction with controlled atomic‑scale active centres
• Biomass and organic electro‑oxidation
• Hybrid electrochemical processes and tandem reactions

5. Multi‑Functionality and Emerging Frontiers

• Dual‑atom and heterometallic site synergy
• Atomic‑scale control of charge state, spin state, and geometric distortion
• Electrolyte and interface engineering at atomically defined sites
• Chiral and asymmetric electrocatalysis at engineered centres
• Coupling photothermal, photochemical, or mechanical stimuli with atomic catalysts

6. Stability, Durability, and Practical Integration

• Degradation mechanisms and long‑term performance of atomically dispersed catalysts
• Strategies for improving operational robustness under industrial conditions
• Device‑level implementation in electrolyzers, fuel cells, and flow reactors

Submit your manuscript by March 1, 2027.

Organizing Editors

Prof. Sara Skrabalak, Editor-in-Chief, ACS Materials Letters
Indiana University Bloomington, United States
 
Prof. Bin Liu, Associate Editor, ACS Materials Letters
City University of Hong Kong, China

Submission Information

We welcome submissions for this Special Issue through March 1, 2027. For more information on submission requirements, please visit the journal’s Author Guidelines page.

Accepted manuscripts for consideration in this Special Issue will include Letters, perspectives, Reviews, and Viewpoints. Papers accepted for publication for this Special Issue will be available ASAP (as soon as publishable) online. After all submissions have been published, they will then be compiled online on a dedicated landing page to form the Special Issue. Manuscripts submitted for consideration will undergo the full rigorous peer review process expected from ACS journals.

How to Submit

• Log in to the ACS Publishing Center.
• Select your manuscript type and upload your manuscript and related files.
• Review the title and abstract fields to ensure any pre-populated information has uploaded correctly.
• Under "Special Issue Selection," select “Atomic Dispersion and Active-Site Engineering in Electrocatalysis."
• Confirm all other information has uploaded correctly.
• Submit your article.

If you have any general questions regarding submission to this Special Issue, please contact Prof. Bin Liu (liu-office@materialslett.acs.org).