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Molecules
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New Metal Catalysts for Sustainable Chemistry
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New Metal Catalysts for Sustainable Chemistry

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

Deadline for manuscript submissions: 30 June 2024 | Viewed by 1457

Special Issue Editor

Dr. Wai Lun Man

E-Mail Website
Guest Editor
Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong SAR, China
Interests: anti-cancer drug; biomimetic enzymatic reactions; catalysis; mechanism; transition metal complexes

Special Issue Information

Dear Colleagues,

Developing new metal catalysts for efficiently converting natural resources into valuable products is necessary to meet the high energy demand of human beings. This Special Issue aims to gather global experts to develop highly versatile, robust, and sustainable catalysts that could utilize earth-abundant small molecules more efficiently. The catalytic reactions include but are not limited to ammonia oxidation; carbon dioxide reduction; hydrocarbon functionalization; and splitting of dinitrogen, dioxygen, and water.

We highly welcome original research articles, communications, and reviews covering the design of new metal catalysts, mechanistic study, and catalytic application for the above reactions. These results should provide valuable insights and contribute to the development of sustainable catalysts.

Dr. Wai Lun Man
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

  • metal complexes
  • catalysis
  • mechanism
  • water splitting
  • CO2 reduction
  • C–H activation
  • O2 reduction
  • NH3 oxidation

Published Papers (2 papers)

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Research

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13 pages, 5160 KiB  
Article
Phosphorus Modification of Iron: Mechanistic Insights into Ammonia Synthesis on Fe2P Catalyst
by Abdulrahman Almithn
Molecules 2024, 29(8), 1894; https://doi.org/10.3390/molecules29081894 - 22 Apr 2024
Viewed by 323
Abstract
Ammonia (NH3) is a critical chemical for fertilizer production and a potential future energy carrier within a sustainable hydrogen economy. The industrial Haber–Bosch process, though effective, operates under harsh conditions due to the high thermodynamic stability of the nitrogen molecule (N [...] Read more.
Ammonia (NH3) is a critical chemical for fertilizer production and a potential future energy carrier within a sustainable hydrogen economy. The industrial Haber–Bosch process, though effective, operates under harsh conditions due to the high thermodynamic stability of the nitrogen molecule (N2). This motivates the search for alternative catalysts that facilitate ammonia synthesis at milder temperatures and pressures. Theoretical and experimental studies suggest that circumventing the trade-off between N–N activation and subsequent NHx hydrogenation, governed by the Brønsted–Evans–Polanyi (BEP) relationship, is key to achieving this goal. Recent studies indicate metal phosphides as promising catalyst materials. In this work, a comprehensive density functional theory (DFT) study comparing the mechanisms and potential reaction pathways for ammonia synthesis on Fe(110) and Fe2P(001) is presented. The results reveal substantial differences in the adsorption strengths of NHx intermediates, with Fe2P(001) exhibiting weaker binding compared to Fe(110). For N–N bond cleavage, multiple competing pathways become viable on Fe2P(001), including routes involving the pre-hydrogenation of adsorbed N2 (e.g., through *NNH*). Analysis of DFT-derived turnover rates as a function of hydrogen pressure (H2) highlights the increased importance of these hydrogenated intermediates on Fe2P(001) compared to Fe(110) where direct N2 dissociation dominates. These findings suggest that phosphorus incorporation modifies the ammonia synthesis mechanism, offering alternative pathways that may circumvent the limitations of traditional transition metal catalysts. This work provides theoretical insights for the rational design of Fe-based catalysts and motivates further exploration of phosphide-based materials for sustainable ammonia production. Full article
(This article belongs to the Special Issue New Metal Catalysts for Sustainable Chemistry)
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Review

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22 pages, 9944 KiB  
Review
A Review of Mn-Based Catalysts for Abating NOx and CO in Low-Temperature Flue Gas: Performance and Mechanisms
by Xiaodi Li, Shan Ren, Zhichao Chen, Mingming Wang, Lin Chen, Hongsheng Chen and Xitao Yin
Molecules 2023, 28(19), 6885; https://doi.org/10.3390/molecules28196885 - 30 Sep 2023
Viewed by 916
Abstract
Mn-based catalysts have attracted significant attention in the field of catalytic research, particularly in NOx catalytic reductions and CO catalytic oxidation, owing to their good catalytic activity at low temperatures. In this review, we summarize the recent progress of Mn-based catalysts for [...] Read more.
Mn-based catalysts have attracted significant attention in the field of catalytic research, particularly in NOx catalytic reductions and CO catalytic oxidation, owing to their good catalytic activity at low temperatures. In this review, we summarize the recent progress of Mn-based catalysts for the removal of NOx and CO. The effects of crystallinity, valence states, morphology, and active component dispersion on the catalytic performance of Mn-based catalysts are thoroughly reviewed. This review delves into the reaction mechanisms of Mn-based catalysts for NOx reduction, CO oxidation, and the simultaneous removal of NOx and CO. Finally, according to the catalytic performance of Mn-based catalysts and the challenges faced, a possible perspective and direction for Mn-based catalysts for abating NOx and CO is proposed. And we expect that this review can serve as a reference for the catalytic treatment of NOx and CO in future studies and applications. Full article
(This article belongs to the Special Issue New Metal Catalysts for Sustainable Chemistry)
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