Advanced Catalysis for Sustainable Chemicals and Energy Conversion: Design, Synthesis and Mechanism
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Catalysis for Sustainable Energy".
Deadline for manuscript submissions: 31 December 2026 | Viewed by 254
Editors
Interests: catalytic materials; electrocatalysis; computational catalysis; catalytic mechanism
Special Issues, Collections and Topics in MDPI journals
Interests: petrochemical catalysts; computational catalysis
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
In recent years, advanced catalytic materials have played an increasingly pivotal role in enabling sustainable chemical synthesis and clean energy conversion, driving innovations in fields such as green chemical production, renewable energy utilization and CO2 conversion. The development of efficient catalysts—from single-atom and nano-structured systems to hierarchical porous materials—has been instrumental in pushing the boundaries of selectivity, activity and stability under realistic conditions. However, the intricate relationships among catalyst design, synthesis, performance and mechanism demand integrated experimental and theoretical approaches to fully understand and optimize these systems.
This Special Issue, titled “Advanced Catalysis for Sustainable Chemicals and Energy Conversion: Design, Synthesis and Mechanism,” seeks to highlight the latest advances in the creation, characterization and multi-scale understanding of catalytic materials for sustainable applications. We aim to bring together cutting-edge research that employs innovative synthesis strategies, in situ/operando characterization and state-of-the-art computational tools—including density functional theory (DFT), molecular dynamics, microkinetic modeling and machine learning—to elucidate catalytic behavior and guide rational material design.
We welcome contributions addressing the following topics:
- Rational design and controlled synthesis of porous, nano-, single-atom and cluster catalysts.
- Green and sustainable synthesis of fine chemicals and pharmaceuticals via homo-/heterogeneous, photo- and electrocatalysis.
- Catalytic processes for renewable energy conversion, including water splitting, CO2 reduction, N2 fixation and biomass upgrading.
- Mechanistic insights into catalytic reactions through combined experimental and computational studies.
- Multi-scale modeling, machine-learning and high-throughput approaches in catalyst discovery and optimization.
This Special Issue will serve as a platform for disseminating groundbreaking research and fostering interdisciplinary collaboration among chemists, materials scientists and engineers working in catalysis. By sharing your work, you will contribute to the advancement of knowledge in this vital field and help shape the future of sustainable industrial and energy processes.
We look forward to receiving your contributions, which may include original research articles, review papers and perspectives.
Sincerely,
Dr. Lianming Zhao
Dr. Houyu Zhu
Guest Editors
Manuscript Submission Information
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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. Catalysts 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 2200 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
- catalyst design and synthesis
- green and sustainable catalysis
- photocatalysis and electrocatalysis
- CO2 conversion and utilization
- single-atom and nanocatalysts
- biomass valorization
- reaction mechanism studies
- multi-scale computational catalysis
- machine learning in catalysis
- renewable energy catalysis
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