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Molecules
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Design and Mechanisms of Photo(electro)catalysts for Water Splitting
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Design and Mechanisms of Photo(electro)catalysts for Water Splitting

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".

Deadline for manuscript submissions: 30 June 2025 | Viewed by 5506

Special Issue Editors

Dr. Zhaohui Zhou

E-Mail Website
Guest Editor
Department of Chemical Engineering, School of Water and Environment, Chang'an University, Xi'an 710064, China
Interests: solar energy conversion; photocatalysis; water splitting; hydrogen; solar steam generation
Dr. Jiafeng Geng

E-Mail Website
Guest Editor
Department of Chemical Engineering, School of Water and Environment, Chang'an University, Xi'an 710064, China
Interests: solar energy conversion; photocatalysis; nanofluids electrocatalysis
Dr. Shichao Zong

E-Mail Website
Guest Editor
Department of Chemical Engineering, School of Water and Environment, Chang'an University, Xi'an 710064, China
Interests: solar energy conversion; photocatalysis; water splitting; hydrogen; solar steam generation
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Photo(electro)catalytic water splitting has been considered one of the most promising approaches to converting abundant solar energy into carbon free hydrogen energy, which is of great significance for realizing carbon neutrality. Accordingly, designing novel photo(electro)catalysts with the merits of high efficiency, low cost, and long-term stability and clarifying their mechanisms are pivotal to this specific research field and have become hot research topics.

This Special Issue on “Design and Mechanisms of Photo(electro)catalysts for Water Splitting” will cover the most recent progress in the design, synthesis, and mechanism investigation of novel photo(electro)catalysts and photocatalytic systems in water splitting. Review and original research papers within the scope of this Special Issue are welcomed, aiming to inspire more work for further development in this growing and prospering research field.

Dr. Zhaohui Zhou
Dr. Jiafeng Geng
Dr. Shichao Zong
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 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

  • photocatalysis
  • electrocatalysis
  • photoelectrocatalysis
  • photo(electro)catalysts synthesis
  • water splitting
  • hydrogen production
  • renewable fuels

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Published Papers (3 papers)

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12 pages, 5202 KiB  
Article
Reduced Graphene Oxide-Coated Iridium Oxide as a Catalyst for the Oxygen Evolution Reaction in Alkaline Water Electrolysis
by Shengyin Luo, Ziqing Zuo and Hongbin Sun
Molecules 2025, 30(9), 2069; https://doi.org/10.3390/molecules30092069 - 7 May 2025
Abstract
Producing hydrogen by water electrolysis has attracted significant attention as a potential renewable energy solution. In this work, a catalyst with reduced graphene oxide (rGO) loaded on IrO2/TiO2 (called rGO/IrO2/TiO2) was designed for the catalytic oxygen [...] Read more.
Producing hydrogen by water electrolysis has attracted significant attention as a potential renewable energy solution. In this work, a catalyst with reduced graphene oxide (rGO) loaded on IrO2/TiO2 (called rGO/IrO2/TiO2) was designed for the catalytic oxygen evolution reaction (OER). The catalyst was synthesized by coating graphene oxide onto a pretreated IrO2/TiO2 precursor, followed by thermal treatment at 450 °C to achieve reduction and the adhesion of graphene to the substrate. The graphene support retained its intact sp2 carbon framework with minor oxygen-containing functional groups, which enhanced electrical conductivity and hydrophilicity. Benefiting from the synergistic effect of an rGO, IrO2, and TiO2 matrix, the rGO/IrO2/TiO2 catalyst only needed overpotentials of 240 mV and 320 mV to reach 10 mA cm−2 and 100 mA cm−2 in the OER, along with excellent stability over 50 h. Its morphology and crystalline structure were characterized by SEM and XRD spectroscopy, and its electrochemical performance was tested by LSV analysis, EIS impedance spectrum, and double-layer capacitance (Cdl) measurements. This work introduces an innovative and eco-friendly strategy for constructing a high-performance, functionalized Ir-based catalyst. Full article
(This article belongs to the Special Issue Design and Mechanisms of Photo(electro)catalysts for Water Splitting)
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Review

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48 pages, 14355 KiB  
Review
Photo(electro)catalytic Water Splitting for Hydrogen Production: Mechanism, Design, Optimization, and Economy
by Xingpeng Li, Chenxi Zhang, Jiafeng Geng, Shichao Zong and Pengqian Wang
Molecules 2025, 30(3), 630; https://doi.org/10.3390/molecules30030630 - 31 Jan 2025
Viewed by 1898
Abstract
As an energy carrier characterized by its high energy density and eco-friendliness, hydrogen holds a pivotal position in energy transition. This paper elaborates on the scientific foundations and recent progress of photo- and electro-catalytic water splitting, including the corresponding mechanism, material design and [...] Read more.
As an energy carrier characterized by its high energy density and eco-friendliness, hydrogen holds a pivotal position in energy transition. This paper elaborates on the scientific foundations and recent progress of photo- and electro-catalytic water splitting, including the corresponding mechanism, material design and optimization, and the economy of hydrogen production. It systematically reviews the research progress in photo(electro)catalytic materials, including oxides, sulfides, nitrides, noble metals, non-noble metal, and some novel photocatalysts and provides an in-depth analysis of strategies for optimizing these materials through material design, component adjustment, and surface modification. In particular, it is pointed out that nanostructure regulation, dimensional engineering, defect introduction, doping, alloying, and surface functionalization can remarkably improve the catalyst performance. The importance of adjusting reaction conditions, such as pH and the addition of sacrificial agents, to boost catalytic efficiency is also discussed, along with a comparison of the cost-effectiveness of different hydrogen production technologies. Despite the significant scientific advancements made in photo(electro)catalytic water splitting technology, this paper also highlights the challenges faced by this field, including the development of more efficient and stable photo(electro)catalysts, the improvement of system energy conversion efficiency, cost reduction, the promotion of technology industrialization, and addressing environmental issues. Full article
(This article belongs to the Special Issue Design and Mechanisms of Photo(electro)catalysts for Water Splitting)
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28 pages, 16270 KiB  
Review
Exploring the Dynamics of Charge Transfer in Photocatalysis: Applications of Femtosecond Transient Absorption Spectroscopy
by Na Li, Yanlong Ma and Wanjun Sun
Molecules 2024, 29(17), 3995; https://doi.org/10.3390/molecules29173995 - 23 Aug 2024
Cited by 3 | Viewed by 2924
Abstract
Artificial photocatalytic energy conversion is a very interesting strategy to solve energy crises and environmental problems by directly collecting solar energy, but low photocatalytic conversion efficiency is a bottleneck that restricts the practical application of photocatalytic reactions. The key issue is that the [...] Read more.
Artificial photocatalytic energy conversion is a very interesting strategy to solve energy crises and environmental problems by directly collecting solar energy, but low photocatalytic conversion efficiency is a bottleneck that restricts the practical application of photocatalytic reactions. The key issue is that the photo-generated charge separation process spans a huge spatio-temporal scale from femtoseconds to seconds, and involves complex physical processes from microscopic atoms to macroscopic materials. Femtosecond transient absorption (fs-TA) spectroscopy is a powerful tool for studying electron transfer paths in photogenerated carrier dynamics of photocatalysts. By extracting the attenuation characteristics of the spectra, the quenching path and lifetimes of carriers can be simulated on femtosecond and picosecond time scales. This paper introduces the principle of transient absorption, typical dynamic processes and the application of femtosecond transient absorption spectroscopy in photocatalysis, and summarizes the bottlenecks faced by ultrafast spectroscopy in photocatalytic applications, as well as future research directions and solutions. This will provide inspiration for understanding the charge transfer mechanism of photocatalytic processes. Full article
(This article belongs to the Special Issue Design and Mechanisms of Photo(electro)catalysts for Water Splitting)
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