Green Solvents and Functional Materials: Experiments, Simulations, and Sustainable Applications
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Green Materials".
Deadline for manuscript submissions: 10 April 2027 | Viewed by 1
Editors
Interests: multiscale molecular modeling of complex materials; ionic liquids; deep eutectic solvents; 2D-related nanomaterials; battery binders; gas capture; removal of pollutants; extraction of bioactive compounds from natural sources; battery electrolytes
Special Issues, Collections and Topics in MDPI journals
Interests: deep eutectic solvents; ionic liquids; CO2 capture; thermodynamics; molecular modeling
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The growing demand for sustainable technologies has placed green chemistry and advanced functional materials at the forefront of scientific research. As global challenges related to climate change, resource depletion, environmental pollution, and the energy transition become increasingly urgent, the development of environmentally benign solvents and high-performance materials is essential to enabling cleaner and more efficient industrial processes. Green solvents, including deep eutectic solvents, ionic liquids, bio-based solvents, and other emerging alternatives, offer unprecedented opportunities to replace conventional hazardous solvents while maintaining or even enhancing process performance. In parallel, functional materials with tailored physicochemical properties are driving innovation across diverse fields, including energy storage and gas capture, catalysis, environmental remediation, and the recovery of valuable compounds from natural resources. The integration of experimental research with state-of-the-art computational methodologies—including Density Functional Theory (DFT), COnductor-like Screening MOdel for Real Solvents (COSMO-RS) thermodynamic modeling, classical Molecular Dynamics (MD) simulations, and machine learning—is transforming the way these systems are designed, understood, and optimized, enabling a more rational and efficient pathway towards sustainable solutions.
This Special Issue aims to provide a multidisciplinary forum for researchers working at the interface of green solvents and functional materials. We invite submissions of high-quality original research articles, communications, and comprehensive reviews that address the design, synthesis, characterization, modeling, and application of sustainable solvent systems and advanced functional materials. Topics of interest include, but are not limited to, the design, characterization, and application of green solvents and functional materials, advanced computational approaches for their rational development, and sustainable technologies for environmental remediation, energy storage, gas capture, catalysis, and bioresource valorization. Particular emphasis will be placed on studies that bridge experimental and theoretical approaches, providing molecular-level insights into structure–property relationships and accelerating the development of next-generation sustainable technologies. By bringing together contributions from chemistry, materials science, chemical engineering, computational science, and related disciplines, this Special Issue seeks to highlight emerging trends, foster interdisciplinary collaboration, and inspire innovative strategies for the design of greener processes and functional materials with real-world impact.
We look forward to receiving your valuable contributions and to showcasing the latest advances that will help shape the future of sustainable materials and green technologies.
Dr. Alberto Gutiérrez
Dr. Mert Atilhan
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. Materials 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 2600 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
- green solvents
- functional materials
- sustainable chemistry
- experimental characterization
- computational modeling
- molecular simulations
- artificial intelligence
- materials design
- sustainable applications
- environmental remediation
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.
- Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.
Further information on MDPI's Special Issue policies can be found here.
