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Hierarchically Structured Materials for Photocatalysis, Electrocatalysis and Photoelectrocatalysis

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Catalytic Materials".

Deadline for manuscript submissions: 20 September 2025 | Viewed by 437

Special Issue Editors


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Guest Editor
School of Environment and Safety Engineering, Jiangsu University, Zhenjiang, China
Interests: photocatalysis; photoelectrocatalysis; water splitting; CO2 reduction; VOC degradation
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Chemical and Biomolecular Engineering, Yonsei University, Seoul, Republic of Korea
Interests: photocatalysis; photoelectrocatalysis; H2 production; H2O2 synthesis; CO2 reduction; environment pollutant control; organic chemical synthesis
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

It is widely acknowledged that the environmental and energy crises are becoming the most serious challenges threatening human existence. Numerous studies have shown that photocatalytic and photoelectrocatalytic technologies are a promising approach to overcome the aforementioned challenges, especially in hydrogen production, air purification, carbon neutrality, and green chemical synthesis (such as CO2 reduction, H2O2 production, VOC adsorption and degradation, organic pollution degradation, C-H selective activation, etc.). With the advances in materials science, a range of new materials has been studied to improve catalytic performance. Among these materials, it has been proven that the design of hierarchically structured materials can enhance the mass transport of molecules and provide more active sites, resulting in better performance.

Thus, this Special Issue focuses on the recent developments in hierarchically structured materials, including inorganic nonmetallic materials, metal–organic frameworks (MOFs), polymer or organic supermolecules, covalent organic frameworks (COFs), Zeolite, homojunctions, heterojunctions, and nanocomposites. Hierarchically structured porous materials display a porous hierarchy, with the porosity and structure spanning multiple length scales ranging, from micro- to meso- and macropores. The distinctive electronic and pore structural attributes of hierarchically structured porous materials render them a versatile platform for the design of efficient and selective photocatalysts and photoelectrocatalysis.

This Special Issue is intended to offer a comprehensive summary of the recent progress in hierarchically structured porous-based materials, encompassing their fabrication, characterization, optical and electronic properties, and photochemical and photoelectrochemical applications. We welcome Original Research, Review, Mini Review, and Perspective articles on themes including, but not limited to the following:

  • Hierarchically structured materials for photochemical, electrochemical, and photoelectrochemical synthesis of H2O2, reduction of CO2, production of H2, and selective activation of C-H bonds, etc.
  • Hierarchically structured materials for environmental remediation, including but not limited to the photocatalytic, electrocatalytic, and photoelectrocatalytic removal of microplastics, VOCs, NOx, H2S, etc.

Dr. Jie Jin
Dr. Shipeng Wan
Guest Editors

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Keywords

  • hierarchical structure
  • photocatalysis
  • electrocatalysis
  • photoelectrocatalysis
  • nanocomposite
  • artificial photosynthesis

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Published Papers (1 paper)

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Research

17 pages, 3636 KiB  
Article
DFT Investigation of a Direct Z-Scheme Photocatalyst for Overall Water Splitting: Janus Ga2SSe/Bi2O3 Van Der Waals Heterojunction
by Fan Yang, Pascal Boulet and Marie-Christine Record
Materials 2025, 18(7), 1648; https://doi.org/10.3390/ma18071648 - 3 Apr 2025
Viewed by 334
Abstract
Constructing van der Waals heterojunctions with excellent properties has attracted considerable attention in the field of photocatalytic water splitting. In this study, four patterns, coined A, B, C, and D of Janus Ga2SSe/Bi2O3 van der Waals (vdW) heterojunctions [...] Read more.
Constructing van der Waals heterojunctions with excellent properties has attracted considerable attention in the field of photocatalytic water splitting. In this study, four patterns, coined A, B, C, and D of Janus Ga2SSe/Bi2O3 van der Waals (vdW) heterojunctions with different stacking modes, were investigated using first-principles calculations. Their stability, electronic structure, and optical properties were analyzed in detail. Among these, patterns A and C heterojunctions demonstrate stable behavior and operate as direct Z-scheme photocatalysts, exhibiting band gaps of 1.83 eV and 1.62 eV. In addition, the suitable band edge positions make them effective for photocatalytic water decomposition. The built-in electric field across the heterojunction interface effectively inhibits electron-hole recombination, thereby improving the photocatalytic efficiency. The optical absorption coefficients show that patterns A and C heterojunctions exhibit higher light absorption intensity than Ga2SSe and Bi2O3 monolayers, spanning from the ultraviolet to visible range. Their corrected solar-to-hydrogen (STH) efficiencies are 13.60% and 12.08%, respectively. The application of hydrostatic pressure and biaxial tensile strain demonstrate distinct effects on photocatalytic performance: hydrostatic pressure preferentially enhances the hydrogen evolution reaction (HER), while biaxial tensile strain primarily improves the oxygen evolution reaction (OER). Furthermore, the heterojunctions exhibited enhanced optical absorption across the UV-visible spectrum with increasing hydrostatic pressure. Notably, a 1% tensile strain results in an improvement in visible light absorption efficiency. These results demonstrate that Ga2SSe/Bi2O3 heterojunctions hold great promise as direct Z-scheme photocatalysts for overall water splitting. Full article
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