Catalysts for Photoredox Processes

Dear Colleagues,

Photoredox catalysis has emerged as a transformative tool in modern chemistry, enabling diverse chemical transformations under mild and sustainable conditions using visible light. Central to this field is the development of efficient catalysts that can mediate electron transfer, activate substrates, and control reaction pathways with high precision. Recent advances in single-atom and single-molecule techniques have unprecedented insights into the mechanistic understanding of photoredox processes at the sub-nanometer level, while the integration of artificial intelligence for science (AI4S) is accelerating catalyst discovery, reaction prediction, and mechanistic modeling.

We are pleased to invite you to contribute to this Special Issue, “Catalysts for Photoredox Processes”, which aims to bring together innovative research across multiple scales of catalysis, from bulk materials to atomically precise systems, while embracing computational and data-driven approaches. This topic aligns with the journal’s scope by promoting interdisciplinary advances in catalysis, materials chemistry, and sustainable reaction engineering.

This Special Issue aims to provide a platform for showcasing novel catalysts, mechanistic insights, and computational strategies that advance the field of photoredox chemistry. We particularly encourage submissions that explore how AI tools—such as machine learning, neural networks, and data-driven modeling—can be leveraged to design, optimize, and understand photoredox systems. Studies focusing on single-molecule reaction analysis, including fluorescence-based tracking, scanning probe techniques, and stochastic modeling, are also highly welcome.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following:

• Design and synthesis of photoredox catalysts;
• AI-assisted catalyst screening and reaction prediction (AI4S);
• Single-molecule studies of photoredox reaction mechanisms;
• Dual catalysis involving photoredox systems;
• Organic and pharmaceutical transformations via photoredox catalysis;
• Semiconductor and nanomaterial-based photocatalysts;
• Data-driven approaches to reaction optimization;
• Photoredox catalysis in environmental and energy applications;
• Hybrid systems combining photoredox and enzymatic catalysis;
• Green chemistry and sustainable photoredox protocols.

We look forward to receiving your contributions and building a dynamic collection of articles that push the boundaries of photoredox catalysis through molecular precision and computational innovation.

Dr. Saisai Yuan
Dr. Qitao Zhang
Dr. Zhichao Pan
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-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.