New Horizons in Metal–Organic Frameworks: Fundamentals, Characterization, and Molecular Modeling
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Organic Crystalline Materials".
Deadline for manuscript submissions: 20 April 2025 | Viewed by 120
Special Issue Editors
Interests: DSSC; DFT; Conceptual DFT; reactivity parameters; molecular modeling; computational chemistry; organic chemistry
Interests: coordination chemistry; coordination polymers; metal-organic frameworks; cluster complexes; supramolecular chemistry; crystalline materials
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Metal-Organic Frameworks (MOFs) have emerged as a revolutionary class of materials, captivating interest due to their versatile structures and tunable properties. This topic delves into the latest advancements in MOFs, emphasizing fundamental principles, characterization techniques, and the role of molecular modeling in their development. MOFs consist of metal ions or clusters coordinated with organic ligands, forming crystalline frameworks with immense surface areas and pore volumes. These characteristics enable applications in various fields, such as energy conversion, catalysis, and health applications. The synthesis of MOFs involves precise control over metal–ligand interactions, allowing for the customization of pore size and functionality. Characterization techniques such as X-ray diffraction (XRD), nuclear magnetic resonance (NMR) spectroscopy, and electron microscopy are pivotal in elucidating their structural and chemical properties. Molecular modeling, including density functional theory (DFT) and molecular dynamics (MD) simulations, plays a crucial role in predicting the behavior and stability of MOFs and guiding experimental efforts. Recent advances have focused on enhancing MOFs' stability, scalability, and functional diversity, addressing challenges related to their practical deployment. This Special Issue provides a comprehensive overview of the fundamental aspects, state-of-the-art characterization methods, and the transformative potential of molecular modeling in the innovative landscape of MOFs.
Prof. Dr. Jesus Baldenebro-López
Prof. Dr. Vladimir P. Fedin
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 100 words) can be sent to the Editorial Office for announcement on this website.
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-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly 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 2100 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
- metal–ligand interactions
- tunable properties
- advanced materials
- metal–organic frameworks
- molecular modeling
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.
Further information on MDPI's Special Issue polices can be found here.
