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Advances in Multicomponent Catalytic Materials
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Advances in Multicomponent Catalytic Materials

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

Deadline for manuscript submissions: closed (20 January 2025) | Viewed by 4478

Special Issue Editor

Dr. Pengcheng Chen

E-Mail Website
Guest Editor
Department of Materials Science, Fudan University, Shanghai 200438, China
Interests: polyelemental nanosystems; nanomaterials genome; catalysis

Special Issue Information

Dear Colleagues,

Multicomponent catalysts are promising catalytic materials that combine multiple elements, phases, or microstructures. The controlled combination of different components in a material can integrate the functionalities associated with each component, allowing the material to catalyze complex reactions that involve multiple steps. In addition, the synergistic electronic interaction between the constituent components has shown the potential to improve the catalyst activity as well as the reaction selectivity. All these characteristics provide rich avenues to tune the chemisorption behavior and catalytic properties of multicomponent materials. Notably, recent developments in the synthetic methodologies of multicomponent nanomaterials, such as phase-separated heterostructures and high-entropy alloys, have enabled tremendous new combinations as well as new possibilities, which have led to an outbreak in the study of multicomponent nanocatalysts.

In this Special Issue, we will bring together the latest advances related to multicomponent catalytic materials. The topics include, but are not limited to, the design, synthesis, characterization, and modeling of multicomponent materials and their applications in thermal catalysis, electrocatalysis, photocatalysis, and other catalytic processes. Original research articles and communications within the theme of this Special Issue are all welcome.

Dr. Pengcheng Chen
Guest Editor

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. Materials 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 2600 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

  • catalytic materials
  • multicomponent catalysts
  • nanocatalysts
  • thermal catalysis
  • photocatalysis
  • electrocatalysis
  • catalyst synthesis
  • catalyst characterization
  • catalyst modeling

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (5 papers)

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Research

14 pages, 2081 KiB  
Article
Theoretical Investigation of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on Two-Dimensional Tetragonal V2C2 and V3C3
by Bo Xue, Qingfeng Zeng, Shuyin Yu and Kehe Su
Materials 2025, 18(5), 931; https://doi.org/10.3390/ma18050931 - 20 Feb 2025
Viewed by 207
Abstract
Developing stable and effective catalysts for the hydrogen evolution reaction (HER) has been a long-standing pursuit. In this work, we propose a series of single-atom catalysts (SACs) by importing transition-metal atoms into the carbon and vanadium vacancies of tetragonal V2C2 [...] Read more.
Developing stable and effective catalysts for the hydrogen evolution reaction (HER) has been a long-standing pursuit. In this work, we propose a series of single-atom catalysts (SACs) by importing transition-metal atoms into the carbon and vanadium vacancies of tetragonal V2C2 and V3C3 slabs, where the transition-metal atoms refer to Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. By means of first-principles computations, the possibility of applying these SACs in HER catalysis was investigated. All the SACs are conductive, which is favorable to charge transfer during HER. The Gibbs free energy change (ΔGH*) during hydrogen adsorption was adopted to assess their catalytic ability. For the V2C2-based SACs with V, Cr, Mn, Fe, Ni, and Cu located at the carbon vacancy, excellent HER catalytic performance was achieved, with a |ΔGH*| smaller than 0.2 eV. Among the V3C3-based SACs, apart from the SAC with Mn located at the carbon vacancy, all the SACs can act as outstanding HER catalysts. According to the ΔGH*, these excellent V2C2- and V3C3-based SACs are comparable to the best-known Pt-based HER catalysts. However, it should be noted that the V2C2 and V3C3 slabs have not been successfully synthesized in the laboratory, leading to a pure investigation without practical application in this work. Full article
(This article belongs to the Special Issue Advances in Multicomponent Catalytic Materials)
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17 pages, 3137 KiB  
Article
Efficient Photoelectrochemical Reduction of CO2 in Seawater with Cheap and Abundant Cu2O/Al2O3/TiO2 Electrode
by Aleksandra Parzuch, Katarzyna Kuder, Kostiantyn Nikiforow, Piotr Wróbel, Grzegorz Kaproń, Krzysztof Bieńkowski and Renata Solarska
Materials 2025, 18(3), 620; https://doi.org/10.3390/ma18030620 - 29 Jan 2025
Viewed by 617
Abstract
The photoelectrochemical (PEC) reduction of carbon dioxide to environmentally friendly fuels is a promising strategy to address the challenge of clean energy demand. Semiconductor photocathodes such as Cu2O enable the reduction of carbon dioxide, but their main drawback is their instability [...] Read more.
The photoelectrochemical (PEC) reduction of carbon dioxide to environmentally friendly fuels is a promising strategy to address the challenge of clean energy demand. Semiconductor photocathodes such as Cu2O enable the reduction of carbon dioxide, but their main drawback is their instability and susceptibility to photocorrosion. In this work, Al2O3 and TiO2 were utilized to enhance stability, photoelectrochemical activity, and charge transport facilitation, resulting in a 2.8-fold increase in generated photocurrent density (1.4 mA/cm2 at −0.2 V vs. RHE). The experiments were conducted in a 0.5 M NaCl solution, simulating seawater conditions, to evaluate the performance and stability of the system in an environment closer to real-world applications Full article
(This article belongs to the Special Issue Advances in Multicomponent Catalytic Materials)
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11 pages, 1686 KiB  
Article
Theoretical Investigation of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on Two-Dimensional Tetragonal Mo3C2
by Bo Xue, Qingfeng Zeng, Shuyin Yu and Kehe Su
Materials 2024, 17(24), 6134; https://doi.org/10.3390/ma17246134 - 15 Dec 2024
Cited by 1 | Viewed by 624
Abstract
Developing highly efficient and cost-competitive electrocatalysts for the hydrogen evolution reaction (HER), which can be applied to hydrogen production by water splitting, is of great significance in the future of the zero-carbon economy. Here, by means of first-principles calculations, we have scrutinized the [...] Read more.
Developing highly efficient and cost-competitive electrocatalysts for the hydrogen evolution reaction (HER), which can be applied to hydrogen production by water splitting, is of great significance in the future of the zero-carbon economy. Here, by means of first-principles calculations, we have scrutinized the HER catalytic capacity of single-atom catalysts (SACs) by embedding transition-metal atoms in the C and Mo vacancies of a tetragonal Mo3C2 slab, where the transition-metal atoms refer to Ti, V, Cr, Mn, Fe, Co, Ni and Cu. All the Mo3C2-based SACs exhibit excellent electrical conductivity, which is favorable to charge transfer during HER. An effective descriptor, Gibbs free energy difference (ΔGH*) of hydrogen adsorption, is adopted to evaluate catalytic ability. Apart from SACs with Cr, Mn and Fe located at C vacancies, all the other SACs can act as excellent catalysts for HER. Full article
(This article belongs to the Special Issue Advances in Multicomponent Catalytic Materials)
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22 pages, 5089 KiB  
Article
Co and Co3O4 in the Hydrolysis of Boron-Containing Hydrides: H2O Activation on the Metal and Oxide Active Centers
by Vladislav R. Butenko, Oksana V. Komova, Valentina I. Simagina, Inna L. Lipatnikova, Anna M. Ozerova, Natalya A. Danilova, Vladimir A. Rogov, Galina V. Odegova, Olga A. Bulavchenko, Yuriy A. Chesalov and Olga V. Netskina
Materials 2024, 17(8), 1794; https://doi.org/10.3390/ma17081794 - 13 Apr 2024
Cited by 5 | Viewed by 1251
Abstract
This work focuses on the comparison of H2 evolution in the hydrolysis of boron-containing hydrides (NaBH4, NH3BH3, and (CH2NH2BH3)2) over the Co metal catalyst and the Co3 [...] Read more.
This work focuses on the comparison of H2 evolution in the hydrolysis of boron-containing hydrides (NaBH4, NH3BH3, and (CH2NH2BH3)2) over the Co metal catalyst and the Co3O4-based catalysts. The Co3O4 catalysts were activated in the reaction medium, and a small amount of CuO was added to activate Co3O4 under the action of weaker reducers (NH3BH3, (CH2NH2BH3)2). The high activity of Co3O4 has been previously associated with its reduced states (nanosized CoBn). The performed DFT modeling shows that activating water on the metal-like surface requires overcoming a higher energy barrier compared to hydride activation. The novelty of this study lies in its focus on understanding the impact of the remaining cobalt oxide phase. The XRD, TPR H2, TEM, Raman, and ATR FTIR confirm the formation of oxygen vacancies in the Co3O4 structure in the reaction medium, which increases the amount of adsorbed water. The kinetic isotopic effect measurements in D2O, as well as DFT modeling, reveal differences in water activation between Co and Co3O4-based catalysts. It can be assumed that the oxide phase serves not only as a precursor and support for the reduced nanosized cobalt active component but also as a key catalyst component that improves water activation. Full article
(This article belongs to the Special Issue Advances in Multicomponent Catalytic Materials)
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11 pages, 1786 KiB  
Article
Rapid Plasma Electrolytic Oxidation Synthesis of Intermetallic PtBi/MgO/Mg Monolithic Catalyst for Efficient Removal of Organic Pollutants
by Jiayi Rong, Mengyang Li, Feng Cao, Qianwei Wang, Mingran Wang, Yang Cao, Jun Zhou and Gaowu Qin
Materials 2024, 17(3), 605; https://doi.org/10.3390/ma17030605 - 26 Jan 2024
Cited by 1 | Viewed by 1272
Abstract
The intermetallic PtBi/MgO/Mg monolithic catalyst was first prepared using non-equilibrium plasma electrolytic oxidation (PEO) technology. Spherical aberration-corrected transmission electron microscope (ACTEM) observation confirms the successful synthesis of the PtBi intermetallic structure. The efficiency of PtBi/Mg/MgO catalysts in catalyzing the reduction of 4-nitrophenol (4-NP) [...] Read more.
The intermetallic PtBi/MgO/Mg monolithic catalyst was first prepared using non-equilibrium plasma electrolytic oxidation (PEO) technology. Spherical aberration-corrected transmission electron microscope (ACTEM) observation confirms the successful synthesis of the PtBi intermetallic structure. The efficiency of PtBi/Mg/MgO catalysts in catalyzing the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) in the presence of NaBH4 was demonstrated. The activity factor for the catalyst is 31.8 s−1 g−1, which is much higher than reported values. In addition, the resultant catalyst also exhibits excellent catalytic activity in the organic pollutant reaction of p-nitrobenzoic acid (p-NBA) and methyl orange (MO). Moreover, benefiting from ordered atomic structures and the half-embedded PtBi nanoparticles (NPs), the catalyst demonstrates excellent stability and reproducibility in the degradation of 4-NP. This study provides an example of a simple method for the preparation of intermetallic structures as catalysts for organic pollutant degradation. Full article
(This article belongs to the Special Issue Advances in Multicomponent Catalytic Materials)
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