Nanomaterials for Energy Applications: From Scalable Synthesis to Devices, Theory, and AI-Driven Discovery

In the area of energy applications, precisely controlling the nanoscale composition, defects, and interfaces in materials has enabled breakthroughs in quantum, catalytic, and transport phenomena. These advances tackle critical energy challenges such as fast ion conduction, selective catalysis, light harvesting, heat–charge conversion, and the development of robust interphases. Over the past decade, material families like 2D materials, MXenes, perovskites, doped chalcogenides/oxides, and engineered carbons have demonstrated significant improvements in activity and capacity. However, persistent challenges include balancing high performance with long-term stability and ensuring scalable processing and sustainable supply chains. Recent progress in operando probes, multiscale modeling, and AI-assisted discovery now enables the connection from atomic-scale design to device-level functionality. This convergence facilitates the transition from materials research to clean energy device implementation.

The primary objective of this Research Topic is to address the challenge of developing high-performance, durable, and scalable nanomaterials that support carbon-neutral energy technologies. Despite remarkable nanoscale advances, performance gaps remain between laboratory accomplishments and real-world applications, often due to issues with stability, interfacial losses, ion/electron transport, and manufacturing barriers. We aim to clarify structure–property–function relationships, reveal active states and degradation pathways, integrate theory and data science with synthesis, and establish device-level metrics under standardized tests. By bringing together diverse studies encompassing design, processing, characterization, modeling, and prototyping, we plan to pave actionable routes from material discovery to manufacturable devices, while emphasizing sustainability, cost, and safety.

We welcome the submission of Original Research, Review/Mini-Review, Perspective, Brief Research Reports, Methods/Protocols, and Data/Resource papers on the following themes:

o Catalysis & solar fuels: HER/OER/ORR, CO₂/N₂ conversion; photo(electro)catalysis and photothermal processes.
o Storage & ionics: battery electrodes/electrolytes, supercapacitors, interphase engineering.
o Thermoelectrics & heat management: nanostructuring, alloying/doping, phonon engineering.
o Materials platforms: 2D materials, MXenes, perovskites, MOFs/COFs, nanoporous carbons, heterostructures, nanofluids.
o Cross-cutting methods: scalable/green synthesis, thin-film and printing, operando/in situ characterization, reliability, DFT/MD simulations, high-throughput/ML, lifecycle and safety protocols.

Submitted manuscripts should highlight novelty, provide rigorous benchmarking, include detailed methodologies for reproducibility, and ideally present device-relevant metrics and stability tests.