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Advances in Metal/Oxide Interfacial Catalysts: Design, Properties, and Applications

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

Deadline for manuscript submissions: 31 October 2025 | Viewed by 1244

Special Issue Editor


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Guest Editor
The Department of Chemistry and Biochemistry, Loyola University Chicago, Chicago, IL, USA
Interests: metals; metal/oxide interface; catalyst characterization; chemical reactions on well-defined surfaces; density functional theory calculations

Special Issue Information

Dear Colleagues,

Industrial heterogeneous-phase catalysts typically consist of a support material that serves as the foundation for catalytically active components. This support not only interacts with the catalyst but also facilitates dispersion, increasing the number and fine-tuning the nature of active sites. Recent advancements in catalyst preparation techniques have enabled the creation of single atoms, clusters, and nanostructures on supported substrates. Metal supported on oxide substrates, or the inverse configuration where oxides are supported on metals (metal–oxide interfacial catalysts), are highly active and selective catalysts and demonstrate great potential for applications, including, but not limited to, clean energy, green chemistry, and the utilization of petrochemical derivatives. These systems exhibit special structural and catalytic properties due to the strong interaction between the oxide and metal phases. Using these systems, researchers have been able to explore fundamental properties of the metal–oxide interfaces, such as composition, structure, and electronic state—which directly influence catalytic performance.

This Special Issue on "Advances in Metal/Oxide Interfacial Catalysts: Design, Properties, and Applications" will comprehensively cover recent advances in this interdisciplinary research field. We invite contributors to submit both experimental and theoretical research aimed at deepening our understanding of the structure, electronic properties, and chemical behavior of metal/oxide interfacial catalysts. This includes studies on both model and powder catalysts.

Research topics to be explored in this Special Issue include, but are not limited to, the following:

  • Atomic-scale design and characterization of size- and shape-controlled model metal–oxide catalysts;
  • Stability and the dynamics of catalysts under reaction condition;
  • Use of promoters and organic ligands for the synthesis of functionalized oxide nanoparticles on metal surfaces or the reverse configuration;
  • Exploring metal–oxide catalysts for carbon one-molecule (C1) activation chemistry;
  • Metal–support interactions in metal–oxide interfacial catalysts.

Dr. Mausumi Mahapatra
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. 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

  • oxides
  • metal–oxide interface
  • catalysts
  • active sites
  • heterogeneous catalysis

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Published Papers (2 papers)

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Research

12 pages, 4602 KB  
Article
Structure–Activity Relationships in Ni-Al Mixed Oxides: The Critical Role of a Precursor Anion in the Oxidative Dehydrogenation of Ethane
by Qingzhu Meng, Dongxu Han, Dong Li, Yang Dong, Yanrong Wang, Lian Kong, Wanli Kang, Saule B. Aidarova and Zhen Zhao
Molecules 2025, 30(17), 3465; https://doi.org/10.3390/molecules30173465 - 22 Aug 2025
Viewed by 592
Abstract
The study employed a green, template-free ball milling method to construct a series of Ni-Al mixed oxide catalysts modulated by different nickel precursors (nitrate, acetate, carbonate, sulfate, and chlorate). Through multiscale characterization techniques (XRD, TEM, XPS, H2-TPR, etc.) and catalytic performance [...] Read more.
The study employed a green, template-free ball milling method to construct a series of Ni-Al mixed oxide catalysts modulated by different nickel precursors (nitrate, acetate, carbonate, sulfate, and chlorate). Through multiscale characterization techniques (XRD, TEM, XPS, H2-TPR, etc.) and catalytic performance evaluations, we systematically elucidated the regulatory mechanism of precursor types on the structure-performance relationship. The NiAlOx-CO32− catalyst derived from nickel carbonate exhibited a unique structure, an optimal Ni/Al ratio, and well-tuned active oxygen species, thereby demonstrating exceptional catalytic performance in the oxidative dehydrogenation of ethane (ODHE) at 475 °C with 53.2% ethane conversion, 72.6% ethylene selectivity, and maintained stability over 40 h of continuous operation. Beyond developing high-performance ODHE catalysts, this work establishes a “precursor chemistry–material structure–catalytic performance” relationship model, offering new insights for the rational design of efficient catalysts for light alkane conversion. Full article
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24 pages, 8010 KB  
Article
Mono-(Ni, Au) and Bimetallic (Ni-Au) Nanoparticles-Loaded ZnAlO Mixed Oxides as Sunlight-Driven Photocatalysts for Environmental Remediation
by Monica Pavel, Liubovi Cretu, Catalin Negrila, Daniela C. Culita, Anca Vasile, Razvan State, Ioan Balint and Florica Papa
Molecules 2025, 30(15), 3249; https://doi.org/10.3390/molecules30153249 - 2 Aug 2025
Viewed by 488
Abstract
A facile and versatile strategy to obtain NPs@ZnAlO nanocomposite materials, comprising controlled-size nanoparticles (NPs) within a ZnAlO matrix is reported. The mono-(Au, Ni) and bimetallic (Ni-Au) NPs serving as an active phase were prepared by the polyol-alkaline method, while the ZnAlO support was [...] Read more.
A facile and versatile strategy to obtain NPs@ZnAlO nanocomposite materials, comprising controlled-size nanoparticles (NPs) within a ZnAlO matrix is reported. The mono-(Au, Ni) and bimetallic (Ni-Au) NPs serving as an active phase were prepared by the polyol-alkaline method, while the ZnAlO support was obtained via the thermal decomposition of its corresponding layered double hydroxide (LDH) precursors. X-ray diffraction (XRD) patterns confirmed the successful fabrication of the nanocomposites, including the synthesis of the metallic NPs, the formation of LDH-like structure, and the subsequent transformation to ZnO phase upon LDH calcination. The obtained nanostructures confirmed the nanoplate-like morphology inherited from the original LDH precursors, which tended to aggregate after the addition of gold NPs. According to the UV-Vis spectroscopy, loading NPs onto the ZnAlO support enhanced the light absorption and reduced the band gap energy. ATR-DRIFT spectroscopy, H2-TPR measurements, and XPS analysis provided information about the functional groups, surface composition, and reducibility of the materials. The catalytic performance of the developed nanostructures was evaluated by the photodegradation of bisphenol A (BPA), under simulated solar irradiation. The conversion of BPA over the bimetallic Ni-Au@ZnAlO reached up to 95% after 180 min of irradiation, exceeding the monometallic Ni@ZnAlO and Au@ZnAlO catalysts. Its enhanced activity was correlated with good dispersion of the bimetals, narrower band gap, and efficient charge carrier separation of the photo-induced e/h+ pairs. Full article
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