Molecular Simulation and Applied Catalysis in CO2 Utilization
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".
Deadline for manuscript submissions: closed (31 October 2024) | Viewed by 1533
Special Issue Editor
Special Issue Information
Dear Colleagues,
The issue of extreme climate caused by greenhouse gas emissions, particularly CO2, has become a global challenge that requires concerted efforts to address. One effective strategy to mitigate excessive CO2 emissions is through the capture and utilization of CO2 resources. Metal–organic frameworks (MOFs), covalent–organic frameworks (COFs), and two-dimensional (2D) materials, such as graphene, are excellent candidates for CO2 capture and utilization. While significant progress has been made in academic research to enable efficient CO2 capture and utilization, industrial applications have yet to catch up. In the current uncertain climate regarding material modification, molecular simulation techniques based on density functional theory have opened new avenues for research in the development of innovative CO2-capture and -utilization materials. These techniques provide an effective way to identify the catalytic limitations of existing materials and to create new materials through experimental investigations that overcome these limitations. This Special Issue focuses on articles that employ a combined approach of molecular simulation and experimental development to design new CO2-capture and -utilization materials and explore their applications. Both original research papers and review articles are welcome.
Dr. Ning Ai
Guest Editor
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. 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
- CO2 capture
- CO2 utilization
- molecular simulation
- applied catalysis
- catalyst design
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 policies can be found here.
