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Functional Photocatalysts: Material Design, Synthesis and Applications
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Functional Photocatalysts: Material Design, Synthesis and Applications

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

Deadline for manuscript submissions: closed (31 December 2023) | Viewed by 13773

Printed Edition Available!
A printed edition of this Special Issue is available here.

Special Issue Editor

Dr. Lin Ju

E-Mail Website
Guest Editor
School of Physics and Electrical Engineering, Anyang Normal University, Anyang 455000, China
Interests: photoelectrocatalysis; computational materials science; water-splitting; CO2 reduction reaction
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are pleased to welcome you to this innovative, exciting and encouraging new multidisciplinary topic on the "Functional Photocatalysts: Material Design, Synthesis and Applications". Sustainable green and efficient technologies are recognized as one of the greatest challenges in chemical engineering. It is reported that photocatalysis is one of the most promising eco-friendly technologies that can work under milder operating conditions than conventional processes when photon activation is performed using a cost-effective light source rather than thermal activation. Many studies have concentrated on some applications of heterogeneous photocatalysis, such as air and water cleaning, organic synthesis, and hydrogen production. However, the low efficiency of photocatalysts becomes the bottleneck for these applications. Moreover, the sustainability of these processes means implies high productivity with reduced costs in the synthesis of efficient photocatalysts, requiring high selectivity and kinetic rates. As a result, extensive research has been conducted on a range of topics including the design and synthesis of photocatalysts; photocatalytic-mechanism clarification; co-catalysts, single-atom catalysts, organic-inorganic hybrid materials, bio-inspired materials, and heterojunctions; photoreactor design and modeling; scale-up and commercialization for development on photocatalytic reactions. It is our expectation to receive your submissions (including original research papers and reviews) promptly, to display your excellent research results to a wide audience through an open-access publication, and to present the research community with fresh perspectives on the design and synthesis of functional materials for photocatalysis.

Dr. Lin Ju
Guest Editor

Manuscript Submission Information

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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

  • photocatalytic mechanism studies
  • photocatalyst design
  • single atom catalyst
  • artificial photosynthesis
  • water-splitting
  • N2 reduction reaction
  • NOx reduction reaction
  • CO2 reduction reaction
  • theoretical studies on photocatalysis
  • scale-up of photocatalytic systems
  • heterojunction
  • photoreactor design

Published Papers (11 papers)

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Editorial

Jump to: Research, Review

7 pages, 185 KiB  
Editorial
Functional Photocatalysts: Material Design, Synthesis and Applications
by Lin Ju
Molecules 2024, 29(5), 1146; https://doi.org/10.3390/molecules29051146 - 5 Mar 2024
Viewed by 660
Abstract
Rapid industrial and economic growth, experienced on a global scale, has been greatly facilitated by the extensive use and exploitation of traditional energy resources [...] Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)

Research

Jump to: Editorial, Review

8 pages, 2977 KiB  
Communication
Synthesis and Study of SrTiO3/TiO2 Hybrid Perovskite Nanotubes by Electrochemical Anodization
by Madina Bissenova, Arman Umirzakov, Konstantin Mit, Almaz Mereke, Yerlan Yerubayev, Aigerim Serik and Zhengisbek Kuspanov
Molecules 2024, 29(5), 1101; https://doi.org/10.3390/molecules29051101 - 29 Feb 2024
Viewed by 643
Abstract
Layers of TiO2 nanotubes formed by the anodization process represent an area of active research in the context of innovative energy conversion and storage systems. Titanium nanotubes (TNTs) have attracted attention because of their unique properties, especially their high surface-to-volume ratio, which [...] Read more.
Layers of TiO2 nanotubes formed by the anodization process represent an area of active research in the context of innovative energy conversion and storage systems. Titanium nanotubes (TNTs) have attracted attention because of their unique properties, especially their high surface-to-volume ratio, which makes them a desirable material for various technological applications. The anodization method is widely used to produce TNTs because of its simplicity and relative cheapness; the method enables precise control over the thickness of TiO2 nanotubes. Anodization can also be used to create decorative and colored coatings on titanium nanotubes. In this study, a combined structure including anodic TiO2 nanotubes and SrTiO3 particles was fabricated using chemical synthesis techniques. TiO2 nanotubes were prepared by anodizing them in ethylene glycol containing NH4F and H2O while applying a voltage of 30 volts. An anode nanotube array heat-treated at 450 °C was then placed in an autoclave filled with dilute SrTiO3 solution. Scanning electron microscopy (SEM) analysis showed that the TNTs were characterized by clear and open tube ends, with an average outer diameter of 1.01 μm and an inner diameter of 69 nm, and their length is 133 nm. The results confirm the successful formation of a structure that can be potentially applied in a variety of applications, including hydrogen production by the photocatalytic decomposition of water under sunlight. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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9 pages, 2492 KiB  
Communication
Synthesis, Structural Characterization, Hirschfeld Surface Analysis and Photocatalytic CO2 Reduction Activity of a New Dinuclear Gd(III) Complex with 6-Phenylpyridine-2-Carboxylic Acid and 1,10-Phenanthroline Ligands
by Li-Hua Wang and Xi-Shi Tai
Molecules 2023, 28(22), 7595; https://doi.org/10.3390/molecules28227595 - 14 Nov 2023
Cited by 4 | Viewed by 767
Abstract
A new dinuclear Gd(III) complex was synthesized and named [Gd2(L)4(Phen)2(H2O)2(DMF)2]·2H2O·2Cl (1). Here, L is the 6-phenylpyridine-2-carboxylate anion, Phen represents 1,10-phenanthroline, DMF is called N,N-dimethylformamide, and Cl [...] Read more.
A new dinuclear Gd(III) complex was synthesized and named [Gd2(L)4(Phen)2(H2O)2(DMF)2]·2H2O·2Cl (1). Here, L is the 6-phenylpyridine-2-carboxylate anion, Phen represents 1,10-phenanthroline, DMF is called N,N-dimethylformamide, and Cl− is the chloride anion, which is characterized by IR and single crystal X-ray diffraction analysis. The structural analysis reveals that complex (1) is a cation–anion complex, and each Gd(III) ion is eight-coordinated with four O atoms (O1, O5, O2a, O4a, or O1a, O2, O4, O5a) of four different bidentate L ligands, two O atoms (O6, or O6a) of DMF molecules, two N atoms (N1, N2, or N1a, N2a) of Phen ligands, and two O atoms (O3 or O3a) of coordinated water molecules. Complex (1) forms the three-dimensional π–π stacking network structure with cavities occupied by chloride anions and uncoordinated water molecules. The Hirschfeld surface of the complex (1) shows that the H···H contacts represented the largest contribution (48.5%) to the Hirschfeld surface, followed by C···H/H···C and O···H/H···O contacts with contributions of 27.2% and 6.0%, respectively. To understand the electronic structure of the complex (1), the DFT calculations have been performed. The photocatalytic CO2 reduction activity shows complex (1) has excellent catalytic activity with yields of 22.1 μmol/g (CO) and 6.0 μmol/g (CH4) after three hours. And the selectivity of CO can achieve 78.5%. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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14 pages, 4085 KiB  
Article
Optical and Photocatalytic Properties of Cobalt-Doped LuFeO3 Powders Prepared by Oxalic Acid Assistance
by Zhi Wang, Changmin Shi, Pengfei Li, Wenzhu Wang, Wenzhen Xiao, Ting Sun and Jing Zhang
Molecules 2023, 28(15), 5730; https://doi.org/10.3390/molecules28155730 - 28 Jul 2023
Viewed by 895
Abstract
B-site cobalt (Co)-doped rare-earth orthoferrites ReFeO3 have shown considerable enhancement in physical properties compared to their parent counterparts, and Co-doped LuFeO3 has rarely been reported. In this work, LuFe1−xCoxO3 (x = 0, 0.05, 0.1, 0.15) powders [...] Read more.
B-site cobalt (Co)-doped rare-earth orthoferrites ReFeO3 have shown considerable enhancement in physical properties compared to their parent counterparts, and Co-doped LuFeO3 has rarely been reported. In this work, LuFe1−xCoxO3 (x = 0, 0.05, 0.1, 0.15) powders have been successfully prepared by a mechanochemical activation-assisted solid-state reaction (MAS) method at 1100 °C for 2 h. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy studies demonstrated that a shrinkage in lattice parameters emerges when B-site Fe ions are substituted by Co ions. The morphology and elemental distribution were investigated by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). The UV–visible absorbance spectra show that LuFe0.85Co0.15O3 powders have a narrower bandgap (1.75 eV) and higher absorbance than those of LuFeO3 (2.06 eV), obviously improving the light utilization efficiency. Additionally, LuFe0.85Co0.15O3 powders represent a higher photocatalytic capacity than LuFeO3 powders and can almost completely degrade MO in 5.5 h with the assistance of oxalic acid under visible irradiation. We believe that the present study will promote the application of orthorhombic LuFeO3 in photocatalysis. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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12 pages, 3129 KiB  
Article
Armchair Janus WSSe Nanotube Designed with Selenium Vacancy as a Promising Photocatalyst for CO2 Reduction
by Lin Ju, Xiao Tang, Jingli Li, Hao Dong, Shenbo Yang, Yajie Gao and Wenhao Liu
Molecules 2023, 28(12), 4602; https://doi.org/10.3390/molecules28124602 - 7 Jun 2023
Cited by 3 | Viewed by 1238
Abstract
Photocatalytic conversion of carbon dioxide into chemical fuels offers a promising way to not only settle growing environmental problems but also provide a renewable energy source. In this study, through first-principles calculation, we found that the Se vacancy introduction can lead to the [...] Read more.
Photocatalytic conversion of carbon dioxide into chemical fuels offers a promising way to not only settle growing environmental problems but also provide a renewable energy source. In this study, through first-principles calculation, we found that the Se vacancy introduction can lead to the transition of physical-to-chemical CO2 adsorption on Janus WSSe nanotube. Se vacancies work at the adsorption site, which significantly improves the amount of transferred electrons at the interface, resulting in the enhanced electron orbital hybridization between adsorbents and substrates, and promising the high activity and selectivity for carbon dioxide reduction reaction (CO2RR). Under the condition of illumination, due to the adequate driving forces of photoexcited holes and electrons, oxygen generation reaction (OER) and CO2RR can occur spontaneously on the S and Se sides of the defective WSSe nanotube, respectively. The CO2 could be reduced into CH4, meanwhile, the O2 is produced by the water oxidation, which also provides the hydrogen and electron source for the CO2RR. Our finding reveals a candidate photocatalyst for obtaining efficient photocatalytic CO2 conversion. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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11 pages, 2923 KiB  
Article
Achieving Boron–Carbon–Nitrogen Heterostructures by Collision Fusion of Carbon Nanotubes and Boron Nitride Nanotubes
by Chao Zhang, Jiangwei Xu, Huaizhi Song, Kai Ren, Zhi Gen Yu and Yong-Wei Zhang
Molecules 2023, 28(11), 4334; https://doi.org/10.3390/molecules28114334 - 25 May 2023
Cited by 3 | Viewed by 1250
Abstract
Heterostructures may exhibit completely new physical properties that may be otherwise absent in their individual component materials. However, how to precisely grow or assemble desired complex heterostructures is still a significant challenge. In this work, the collision dynamics of a carbon nanotube and [...] Read more.
Heterostructures may exhibit completely new physical properties that may be otherwise absent in their individual component materials. However, how to precisely grow or assemble desired complex heterostructures is still a significant challenge. In this work, the collision dynamics of a carbon nanotube and a boron nitride nanotube under different collision modes were investigated using the self-consistent-charge density-functional tight-binding molecular dynamics method. The energetic stability and electronic structures of the heterostructure after collision were calculated using the first-principles calculations. Five main collision outcomes are observed, that is, two nanotubes can (1) bounce back, (2) connect, (3) fuse into a defect-free BCN heteronanotube with a larger diameter, (4) form a heteronanoribbon of graphene and hexagonal boron nitride and (5) create serious damage after collision. It was found that both the BCN single-wall nanotube and the heteronanoribbon created by collision are the direct band-gap semiconductors with the band gaps of 0.808 eV and 0.544 eV, respectively. These results indicate that collision fusion is a viable method to create various complex heterostructures with new physical properties. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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10 pages, 1541 KiB  
Communication
Ultrahigh Carrier Mobility in Two-Dimensional IV–VI Semiconductors for Photocatalytic Water Splitting
by Zhaoming Huang, Kai Ren, Ruxin Zheng, Liangmo Wang and Li Wang
Molecules 2023, 28(10), 4126; https://doi.org/10.3390/molecules28104126 - 16 May 2023
Cited by 5 | Viewed by 1272
Abstract
Two-dimensional materials have been developed as novel photovoltaic and photocatalytic devices because of their excellent properties. In this work, four δ-IV–VI monolayers, GeS, GeSe, SiS and SiSe, are investigated as semiconductors with desirable bandgaps using the first-principles method. These δ-IV–VI monolayers exhibit exceptional [...] Read more.
Two-dimensional materials have been developed as novel photovoltaic and photocatalytic devices because of their excellent properties. In this work, four δ-IV–VI monolayers, GeS, GeSe, SiS and SiSe, are investigated as semiconductors with desirable bandgaps using the first-principles method. These δ-IV–VI monolayers exhibit exceptional toughness; in particular, the yield strength of the GeSe monolayer has no obvious deterioration at 30% strain. Interestingly, the GeSe monolayer also possesses ultrahigh electron mobility along the x direction of approximately 32,507 cm2·V−1·s−1, which is much higher than that of the other δ-IV–VI monolayers. Moreover, the calculated capacity for hydrogen evolution reaction of these δ-IV–VI monolayers further implies their potential for applications in photovoltaic and nano-devices. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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13 pages, 3352 KiB  
Article
Single Selenium Atomic Vacancy Enabled Efficient Visible-Light-Response Photocatalytic NO Reduction to NH3 on Janus WSSe Monolayer
by Lin Ju, Xiao Tang, Yixin Zhang, Xiaoxi Li, Xiangzhen Cui and Gui Yang
Molecules 2023, 28(7), 2959; https://doi.org/10.3390/molecules28072959 - 26 Mar 2023
Cited by 6 | Viewed by 1563
Abstract
The NO reduction reaction (NORR) toward NH3 is simultaneously emerging for both detrimental NO elimination and valuable NH3 synthesis. An efficient NORR generally requires a high degree of activation of the NO gas molecule from the catalyst, which calls for a [...] Read more.
The NO reduction reaction (NORR) toward NH3 is simultaneously emerging for both detrimental NO elimination and valuable NH3 synthesis. An efficient NORR generally requires a high degree of activation of the NO gas molecule from the catalyst, which calls for a powerful chemisorption. In this work, by means of first-principles calculations, we discovered that the NO gas molecule over the Janus WSSe monolayer might undergo a physical-to-chemical adsorption transition when Se vacancy is introduced. If the Se vacancy is able to work as the optimum adsorption site, then the interface’s transferred electron amounts are considerably increased, resulting in a clear electronic orbital hybridization between the adsorbate and substrate, promising excellent activity and selectivity for NORR. Additionally, the NN bond coupling and *N diffusion of NO molecules can be effectively suppressed by the confined space of Se vacancy defects, which enables the active site to have the superior NORR selectivity in the NH3 synthesis. Moreover, the photocatalytic NO-to-NH3 reaction is able to occur spontaneously under the potentials solely supplied by the photo-generated electrons. Our findings uncover a promising approach to derive high-efficiency photocatalysts for NO-to-NH3 conversion. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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Review

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17 pages, 2179 KiB  
Review
Research Progress in Composite Materials for Photocatalytic Nitrogen Fixation
by Cheng Zuo, Qian Su and Lei Yu
Molecules 2023, 28(21), 7277; https://doi.org/10.3390/molecules28217277 - 26 Oct 2023
Cited by 2 | Viewed by 1281
Abstract
Ammonia is an essential component of modern chemical products and the building unit of natural life molecules. The Haber–Bosch (H-B) process is mainly used in the ammonia synthesis process in the industry. In this process, nitrogen and hydrogen react to produce ammonia with [...] Read more.
Ammonia is an essential component of modern chemical products and the building unit of natural life molecules. The Haber–Bosch (H-B) process is mainly used in the ammonia synthesis process in the industry. In this process, nitrogen and hydrogen react to produce ammonia with metal catalysts under high temperatures and pressure. However, the H-B process consumes a lot of energy and simultaneously emits greenhouse gases. In the “double carbon” effect, to promote the combination of photocatalytic technology and artificial nitrogen fixation, the development of green synthetic reactions has been widely discussed. Using an inexhaustible supply of sunlight as a power source, researchers have used photocatalysts to reduce nitrogen to ammonia, which is energy-dense and easy to store and transport. This process completes the conversion from light energy to chemical energy. At the same time, it achieves zero carbon emissions, reducing energy consumption and environmental pollution in industrial ammonia synthesis from the source. The application of photocatalytic technology in the nitrogen cycle has become one of the research hotspots in the new energy field. This article provides a classification of and an introduction to nitrogen-fixing photocatalysts reported in recent years and prospects the future development trends in this field. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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15 pages, 5311 KiB  
Review
Recent Advances of Constructing Metal/Semiconductor Catalysts Designing for Photocatalytic CO2 Hydrogenation
by Zhimin Yuan, Xianglin Zhu and Zaiyong Jiang
Molecules 2023, 28(15), 5693; https://doi.org/10.3390/molecules28155693 - 27 Jul 2023
Cited by 2 | Viewed by 905
Abstract
With the development of the world economy and the rapid advancement of global industrialization, the demand for energy continues to grow. The significant consumption of fossil fuels, such as oil, coal, and natural gas, has led to excessive carbon dioxide emissions, causing global [...] Read more.
With the development of the world economy and the rapid advancement of global industrialization, the demand for energy continues to grow. The significant consumption of fossil fuels, such as oil, coal, and natural gas, has led to excessive carbon dioxide emissions, causing global ecological problems. CO2 hydrogenation technology can convert CO2 into high-value chemicals and is considered one of the potential ways to solve the problem of CO2 emissions. Metal/semiconductor catalysts have shown good activity in carbon dioxide hydrogenation reactions and have attracted widespread attention. Therefore, we summarize the recent research on metal/semiconductor catalysts for photocatalytic CO2 hydrogenation from the design of catalysts to the structure of active sites and mechanistic investigations, and the internal mechanism of the enhanced activity is elaborated to give guidance for the design of highly active catalysts. Finally, based on a good understanding of the above issues, this review looks forward to the development of future CO2 hydrogenation catalysts. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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25 pages, 3638 KiB  
Review
A Review on Cu2O-Based Composites in Photocatalysis: Synthesis, Modification, and Applications
by Qian Su, Cheng Zuo, Meifang Liu and Xishi Tai
Molecules 2023, 28(14), 5576; https://doi.org/10.3390/molecules28145576 - 22 Jul 2023
Cited by 13 | Viewed by 2445
Abstract
Photocatalysis technology has the advantages of being green, clean, and environmentally friendly, and has been widely used in CO2 reduction, hydrolytic hydrogen production, and the degradation of pollutants in water. Cu2O has the advantages of abundant reserves, a low cost, [...] Read more.
Photocatalysis technology has the advantages of being green, clean, and environmentally friendly, and has been widely used in CO2 reduction, hydrolytic hydrogen production, and the degradation of pollutants in water. Cu2O has the advantages of abundant reserves, a low cost, and environmental friendliness. Based on the narrow bandgap and strong visible light absorption ability of Cu2O, Cu2O-based composite materials show infinite development potential in photocatalysis. However, in practical large-scale applications, Cu2O-based composites still pose some urgent problems that need to be solved, such as the high composite rate of photogenerated carriers, and poor photocatalytic activity. This paper introduces a series of Cu2O-based composites, based on recent reports, including pure Cu2O and Cu2O hybrid materials. The modification strategies of photocatalysts, critical physical and chemical parameters of photocatalytic reactions, and the mechanism for the synergistic improvement of photocatalytic performance are investigated and explored. In addition, the application and photocatalytic performance of Cu2O-based photocatalysts in CO2 photoreduction, hydrogen production, and water pollution treatment are discussed and evaluated. Finally, the current challenges and development prospects are pointed out, to provide guidance in applying Cu2O-based catalysts in renewable energy utilization and environmental protection. Full article
(This article belongs to the Special Issue Functional Photocatalysts: Material Design, Synthesis and Applications)
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