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	4.0	7.6	2011	16.6 Days	CHF 2200	Submit
Materials materials	3.2	6.4	2008	15.2 Days	CHF 2600	Submit
Nanomaterials nanomaterials	4.3	9.2	2010	15.4 Days	CHF 2400	Submit
Chemistry chemistry	2.4	3.9	2019	18.5 Days	CHF 1800	Submit
Molecules molecules	4.6	8.6	1996	16.1 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 (2 papers)

Order results

Content type Publication Date

Result details

Normal Extended Compact

Journals

All Catalysts Materials Nanomaterials Chemistry Molecules

Show export options expand_more Show export options expand_less

Select all

Export citation of selected articles as:

Plain Text BibTeX BibTeX (without abstracts) Endnote Endnote (without abstracts) Tab-delimited RIS

Error

Oops... you haven't selected anything for export.

Ok

clear

19 pages, 4395 KiB  

Open AccessArticle

New 3D Spiral Microfluidic Platform Tested for Fe₃O₄@SA Nanoparticle Synthesis

by Elena-Theodora Moldoveanu, Adelina-Gabriela Niculescu, Dana-Ionela Tudorache (Trifa), Alina Moroșan, Alexandra-Cătălina Bîrcă, Bogdan-Ștefan Vasile, Ariana Hudita, Dan-Eduard Mihaiescu, Tony Hadibarata and Alexandru-Mihai Grumezescu

Molecules 2025, 30(14), 2896; https://doi.org/10.3390/molecules30142896 - 8 Jul 2025

Abstract

Due to the need for reproducible, scalable, and environmentally friendly nanomaterial synthesis methods, an increasing amount of scientific interest revolves around microfluidic technologies. In this context, the present paper proposes a new three-dimensional (3D) spiral microfluidic platform designed and tested for the simultaneous [...] Read more.

Due to the need for reproducible, scalable, and environmentally friendly nanomaterial synthesis methods, an increasing amount of scientific interest revolves around microfluidic technologies. In this context, the present paper proposes a new three-dimensional (3D) spiral microfluidic platform designed and tested for the simultaneous synthesis and surface functionalization of magnetite (Fe₃O₄) nanoparticles with salicylic acid (SA). The microreactor was fabricated from overlaid polymethylmethacrylate (PMMA) sheets and assembled into a compact, reusable chip architecture, allowing continuous reagent mixing and enhanced hydrodynamic control. The performed physicochemical analyses confirmed that on-chip synthesized Fe₃O₄@SA NPs exhibit crystallinity, a uniform spherical morphology, a narrow size distribution, excellent colloidal stability, and successful surface functionalization. In vitro cytotoxicity assays using MRC-5 lung fibroblasts and HaCaT keratinocytes revealed a concentration-dependent response, identifying a safe dose range below 610 µg/mL. The integrated design, efficient synthesis, and favorable biocompatibility profile position this 3D microfluidic platform as a promising tool for scalable nanomaterial production in biomedical and environmental applications. Full article

(This article belongs to the Topic Functional Materials: Cross-Scale Innovations from Molecular Design to Macroscopic Applications)

►▼ Show Figures

Graphical abstract

attachment

Supplementary material:
Supplementary File 1 (ZIP, 842 KiB)

14 pages, 6740 KiB  

Open AccessArticle

High-Entropy Sulfide Nanoarchitectures with Triple-Shelled Hollow Design for Durable Sodium–Ion Batteries

by Mingyang Chen, Yan Liu, Zhenchun Fang, Yinan Wang, Shaonan Gu and Guowei Zhou

Nanomaterials 2025, 15(12), 881; https://doi.org/10.3390/nano15120881 - 7 Jun 2025

Viewed by 458

Abstract

Metal sulfides are promising anode candidates for sodium–ion batteries (SIBs) due to their high theoretical capacities. However, their practical application is limited by significant volume extension and sluggish Na⁺ diffusion during cycling, which lead to rapid capacity degradation and poor long-term stability. [...] Read more.

Metal sulfides are promising anode candidates for sodium–ion batteries (SIBs) due to their high theoretical capacities. However, their practical application is limited by significant volume extension and sluggish Na⁺ diffusion during cycling, which lead to rapid capacity degradation and poor long-term stability. In this work, we report the rational design of a hollow triple-shelled high-entropy sulfide (NaFeZnCoNiMn)₉S₈, synthesized through sequential templating method under hydrothermal conditions. Transmission electron microscopy confirms its well-defined three-shelled architecture. The inter-shell voids effectively buffer Na⁺ insertion/desertion-induced volume extension, while the tailored high-entropy matrix enhances electronic conductivity and accelerates Na⁺ transport. This synergistic design yields outstanding performance, including a high initial Coulombic efficiency (ICE) of 94.1% at 0.1 A g⁻¹, low charge-transfer resistance (0.32~2.54 Ω), fast Na⁺ diffusion efficiency (10^−8.5–10^−10.5 cm² s⁻¹), and reversible capacity of 582.6 mAh g⁻¹ after 1600 cycles at 1 A g⁻¹ with 91.2% capacity retention. These results demonstrate the potential of high-entropy, multi-shelled architectures as a robust platform for next-generation durable SIB anodes. Full article

(This article belongs to the Topic Functional Materials: Cross-Scale Innovations from Molecular Design to Macroscopic Applications)

►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less

Select all

Export citation of selected articles as:

Plain Text BibTeX BibTeX (without abstracts) Endnote Endnote (without abstracts) Tab-delimited RIS

 

Error

Oops... you haven't selected anything for export.

Ok

clear

Displaying articles 1-2