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Self-Assembly in Supramolecular Chemistry: From Fundamentals to Applications

A Special Issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: 31 May 2027 | Viewed by 1140

Editors

Department of Chemistry, College of Sciences, Northeastern University, Shenyang 110819, China
Interests: supramolecular chemistry; responsive self-assembly; supramolecular coordination complexes and functional materials based on host–guest chemistry
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Guest Editor
School of Materials Science and Engineering, Jilin University, Changchun 130022, China
Interests: molecular recognition; macrocyclic chemistry; macrocyclic cocrystals; functional host-guest system; responsive and adaptive supramolecular materials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Supramolecular chemistry is the chemistry of molecular aggregates based on non-covalent interactions. Self-assembly is the key to supramolecular chemistry. Among the various building blocks, macrocyclic host compounds—such as crown ethers, cyclodextrins, calixarenes, cucurbiturils, pillararenes, and their derivatives—play a pivotal role. The emergence of each new generation of macrocycles profoundly enriches the field and accelerates the development of sophisticated functional materials.

This Special Issue focuses on molecular self-assembly, bridging fundamental principles with practical applications in supramolecular chemistry. We invite contributions exploring diverse aspects, including molecular recognition mechanisms, dynamic self-assembly processes, and the design of functional supramolecular architectures. The scope includes innovative research on macrocyclic compounds, supramolecular coordination complexes, and stimuli-responsive systems, with potential applications in biomedicine, environmental science, energy storage, and smart materials.

Given your distinguished contributions to this field, we cordially invite you to submit your work. Research papers, communications, and review articles are all welcome.

Dr. Jiong Zhou
Dr. Jiarui Wu
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • supramolecular self-assembly
  • macrocyclic hosts
  • stimuli-responsive systems
  • host–guest chemistry
  • functional materials
  • supramolecular chemistry

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Published Papers (1 paper)

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Research

14 pages, 6533 KB  
Article
Supramolecular Engineering of a Homo[2]catenane Filler Enables Polymer Composites with Exceptional High-Temperature Capacitive Energy Storage
by Qiao Su, Yan Sun, Jinfeng Li, Benteng Ma, Xiao Zhang, Haifeng Tian, Yuheng Ju, Saiwen Gao, Zhigang Liu, Tian Zhang and Lin Wu
Molecules 2026, 31(10), 1691; https://doi.org/10.3390/molecules31101691 - 16 May 2026
Cited by 12 | Viewed by 629
Abstract
The escalating demand for high-performance dielectric energy storage materials in pulse-power systems and portable electronics calls for polymer film capacitors with high discharged energy density and breakdown strength. Conventional polymers, however, suffer severe performance degradation under concurrent thermal and electrical stress, and existing [...] Read more.
The escalating demand for high-performance dielectric energy storage materials in pulse-power systems and portable electronics calls for polymer film capacitors with high discharged energy density and breakdown strength. Conventional polymers, however, suffer severe performance degradation under concurrent thermal and electrical stress, and existing reinforcement strategies—involving inorganic nanofillers or chemical crosslinking—often compromise flexibility, introduce interfacial defects, or involve complex processing. Herein, we demonstrate that incorporating a rigid mechanically interlocked molecule, specifically an octacationic homo[2]catenane, into a polyimide matrix yields robust, crosslink-like networks through strong [π∙∙∙π] electrostatic interaction between electron-rich aromatic units of polyimide and electron-deficient homo[2]catenane. This supramolecular network simultaneously enhances breakdown strength via densified chain packing and suppresses conduction loss by forming deep electron traps derived from the high electron affinity of homo[2]catenane. The optimized PI–HC8+ composite achieves a high discharged energy density of 7.86 J/cm3 with an efficiency > 80% and sustains stable performance over 105 charge–discharge cycles at 150 °C. This research establishes mechanically interlocked molecules as a new class of functional fillers for high-performance polymer dielectrics, opening an unexplored avenue in the design of next-generation capacitive energy-storage materials. Full article
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