Functional Materials: Cross-Scale Innovations from Molecular Design to Macroscopic Applications

Topic Information

Dear Colleagues,

Functional materials consist of a class of material systems engineered mainly to carry targeted physical, chemical, or biological functionalities, with applications in energy conversion, information storage, environmental remediation, catalysis, and biomedicine. The convergence of nanotechnology, molecular engineering, and computational science has expanded functional materials research from single-scale approaches (e.g., molecular or bulk materials) to cross-scale collaborative design, forming a tripartite "molecule–nano–macro" paradigm. This Topic explores recent advances in molecular-based, nanoscale, macrostructural, and catalytic functional materials, focusing on design strategies, performance optimization, and interdisciplinary applications. The above-mentioned main themes can involve, but are not limited to, the following sub-themes:

1. Molecular-Scale Functional Materials

• Molecular design and dynamic response;
• Metal–organic frameworks (MOFs) and covalent organic frameworks (COFs);
• Dynamic covalent chemical networks.

2. Nanoscale Functional Materials

• Surface/interface engineering of nanocatalysts;
• Low-dimensional nanomaterials and quantum effects;
• Nano–bio interfaces and delivery systems.

3. Macroscale Structural Functional Materials

• Bioinspired multiscale architectures;
• Smart materials and active response systems;
• Metamaterials and artificial microstructures.

4. Catalytic Functional Materials

• Mechanisms and activity regulation in heterogeneous catalysis;
• Photo-/electrocatalytic energy conversion materials;
• Single-atom and cluster catalysis.

5. Cross-Scale Integration and Synergy

• Molecular–nano–macro multiscale manufacturing;
• Multiphysics coupling and intelligent control.

We particularly encourage explorations in emerging interdisciplinary frontiers, such as the following:

• Computational Paradigm-Driven Innovation: Integration of machine learning, quantum computing, and materials genome engineering;
• Sustainability and Circular Design: Bio-based materials, degradable systems, and low-carbon manufacturing;
• Extreme Environment Adaptability: Ultra-stable functional materials for aerospace, deep-sea, and nuclear applications;
• Convergence with Life Sciences: Life-like materials, synthetic organelles, and bio–non-bio interface engineering.

This Topic aims to foster open, inclusive academic exchange, advancing functional materials innovation from fundamental research to industrial transformation.

Dr. Hongda Li
Dr. Shaonan Gu
Dr. Xintong Liu
Dr. Yanjun Zhao
Dr. Fangzhi Wang
Dr. Zhanglei Ning
Dr. Xiong He
Topic Editors

Keywords

Participating Journals

Journal Name	Impact Factor	CiteScore	Launched Year	First Decision (median)	APC
Catalysts catalysts	3.8	6.8	2011	13.9 Days	CHF 2200	Submit
Materials materials	3.1	5.8	2008	13.9 Days	CHF 2600	Submit
Nanomaterials nanomaterials	4.4	8.5	2010	14.1 Days	CHF 2400	Submit
Chemistry chemistry	2.4	3.2	2019	17.2 Days	CHF 1800	Submit
Molecules molecules	4.2	7.4	1996	15.1 Days	CHF 2700	Submit

Preprints.org is a multidisciplinary platform offering a preprint service designed to facilitate the early sharing of your research. It supports and empowers your research journey from the very beginning.

MDPI Topics is collaborating with Preprints.org and has established a direct connection between MDPI journals and the platform. Authors are encouraged to take advantage of this opportunity by posting their preprints at Preprints.org prior to publication:

1. Share your research immediately: disseminate your ideas prior to publication and establish priority for your work.
2. Safeguard your intellectual contribution: Protect your ideas with a time-stamped preprint that serves as proof of your research timeline.
3. Boost visibility and impact: Increase the reach and influence of your research by making it accessible to a global audience.
4. Gain early feedback: Receive valuable input and insights from peers before submitting to a journal.
5. Ensure broad indexing: Web of Science (Preprint Citation Index), Google Scholar, Crossref, SHARE, PrePubMed, Scilit and Europe PMC.

Published Papers