Computational and Experimental Advances in Photocatalysis
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Photocatalysis".
Deadline for manuscript submissions: 30 April 2026 | Viewed by 12
Special Issue Editor
2. Post-Graduation Program in Chemistry, State University of Londrina, Londrina 86057-970, PR, Brazil
Interests: nanomaterials; catalyst ; functional materials; characterization of nanostructured materials; computational chemistry
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
This Special Issue will focus on the powerful synergy between computational modeling and experimental research, which is accelerating the development of novel photocatalysts and deepening our understanding of reaction mechanisms. The goal is to highlight the advances driving photocatalysis as a key solution for global energy and environmental challenges.
Topics of interest include, but are not limited to:
- Design and Synthesis: Development of novel photocatalysts (heterostructures, quantum dots, MOFs) with enhanced efficiency.
- Mechanisms and Dynamics: Fundamental studies of charge dynamics and photocatalytic reaction mechanisms.
- Computational Modeling: Use of simulations to predict properties and guide material development.
- Advanced Characterization: Application of in-situ and operando techniques to investigate catalysts in action.
- Applications: Innovations in hydrogen (H₂) production, CO₂ reduction, N₂ fixation, and environmental remediation.
We look forward to your valuable contribution to advancing the frontiers of photocatalysis.
Dr. Felipe de Almeida La Porta
Guest Editor
Manuscript Submission Information
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Keywords
- photocatalysis
- photocatalyst design
- computational modeling
- charge carrier dynamics
- reaction mechanisms
- quantum dots
- hydrogen production
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