Multifunctional Carbon Nanostructures For Sustainable Electrochemical Energy Systems

Carbon-based materials constitute one of the most dynamic areas of research in materials science, representing the foundation for next-generation electrochemical energy storage and conversion technologies. Their exceptional versatility arises from a diverse set of nanostructures, including porous carbons, graphene, carbon nanotubes, MOF-derived carbon frameworks, and heteroatom-doped carbons, each providing distinct electronic, structural, and surface properties. The abundance of carbon sources, scalable synthesis routes, and the adaptability of functionalization techniques have positioned nanocarbons as low-cost, environmentally sustainable, and high-performance materials suitable for batteries, supercapacitors, and electrocatalytic systems. In recent years, substantial progress has been made in tailoring their architectures and surface chemistries to optimize conductivity, energy density, and catalytic activity. However, major challenges remain in correlating structure–function relationships, achieving consistent large-scale production, and extending performance longevity under practical conditions.

This Research Topic aims to consolidate emerging research and provide a platform for advancing the understanding and application of carbon nanomaterials in electrochemical energy systems. It seeks to explore how atomic and molecular-scale engineering can unlock unprecedented electrochemical properties, with specific emphasis on identifying pathways for sustainable synthesis and implementation. Key objectives include elucidating reaction mechanisms through in-situ and operando characterization, enhancing catalytic and storage efficiency through heteroatom doping or defect engineering, and developing multifunctional platforms that bridge fundamental theory with practical device applications. Questions surrounding scalability, interface stability, and durability under high operational loads equally represent focal points of investigation.

Recent years have also seen the emergence of artificial intelligence and machine learning as powerful tools for accelerating the discovery and optimization of carbon-based nanostructures for electrochemical energy applications. Data-driven approaches are increasingly used to predict structure-property relationships, guide high-throughput screening of dopants, morphologies, and heteroatom configurations, and optimize electrode-electrolyte interfaces beyond what trial-and-error synthesis allows. AI-assisted models are also proving valuable for forecasting degradation mechanisms and long-term device performance, supporting more sustainable and resource-efficient materials design. This Research Topic therefore welcomes contributions that integrate machine learning, high-throughput computation, or data-driven materials informatics with experimental or theoretical studies of carbon nanostructures for energy storage and conversion.

To gather further insights into advanced material design and energy storage integration, we welcome contributions addressing, but not limited to, the following themes:

- Novel synthetic methodologies for carbon-based nanostructures

- Atomic-level design and control of single-atom catalysts on carbon supports

- In-situ and operando techniques for mechanistic understanding of electrochemical processes

- Interface engineering between carbon frameworks and active species

- Integration of carbon nanomaterials in emerging energy technologies (e.g., CO₂ reduction, metal–air and multivalent batteries)

- Simulation and data-driven modeling for property prediction

- Strategies for sustainable material fabrication and lifecycle assessment

We encourage interested authors to send contributions to bridge the gap between materials innovation and real-world energy storage applications.

Article types and fees

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Editorial
• FAIR² Data
• Mini Review
• Original Research
• Perspective
• Review

Articles that are accepted for publication by our external editors following rigorous peer review incur a publishing fee charged to Authors, institutions, or funders.

Article types

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Editorial
• FAIR² Data
• Mini Review
• Original Research
• Perspective
• Review

Keywords: carbon nanostructures, energy storage, novel material synthesis, system-level integration, single-atom catalysts

Important note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.