Topic Editors

Centro de Química Estrutural, Institute of Molecular Sciences, Departamento de Engenharia Química, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal
Departamento de Química Orgánica, Facultad de Ciencias and Instituto de Síntesis Orgánica (ISO), Universidad de Alicante, Apdo. 99, 03080 Alicante, Spain

Catalysis: Homogeneous and Heterogeneous, 2nd Edition

Abstract submission deadline
closed (31 August 2024)
Manuscript submission deadline
31 October 2024
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Topic Information

Dear Colleagues,

Chemistry has a remarkable ability to transform naturally occurring materials into new materials, with new properties and performances that would not otherwise exist. However, only chemical innovations conducted sustainably can allow progress towards achieving the United Nations Sustainable Development Goals. Catalysis (both homogeneous and heterogeneous) is a remarkably important tool to aid towards innovation for sustainable development, enabling reactions to be performed with the highest energy saving, in the most efficient, economical, and environmentally responsible way. This Topic is devoted to the fundamental and applied aspects of catalysis, with the aim of providing a comprehensive perspective on the current status of the research field. It is expected that this will help to provide a bridge between the most fundamental knowledge on homo- and heterogeneous catalytic systems and the development of new applications based on this knowledge.

Prof. Dr. Luísa Margarida Martins
Dr. Isidro M. Pastor
Topic Editors

Keywords

  • homogeneous catalysis
  • heterogeneous catalysis
  • biocatalysis
  • electrocatalysis
  • nanocatalysis
  • catalyst selectivity
  • catalyst activity
  • catalysis in green chemistry
  • organocatalysis

Participating Journals

Journal Name Impact Factor CiteScore Launched Year First Decision (median) APC
Catalysts
catalysts
3.8 6.8 2011 12.9 Days CHF 2700 Submit
Chemistry
chemistry
2.4 3.2 2019 13.4 Days CHF 1800 Submit
Materials
materials
3.1 5.8 2008 15.5 Days CHF 2600 Submit
Molbank
molbank
0.6 0.7 1997 13.9 Days CHF 500 Submit
Molecules
molecules
4.2 7.4 1996 15.1 Days CHF 2700 Submit

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Published Papers (5 papers)

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14 pages, 5879 KiB  
Article
Effect of Pretreatment of Activated Carbon on Iron Oxide-Loaded Catalysts to Significantly Enhance Production of Sebacic Acid from Castor Oil
by Qingyun Zhang, Zhulin Wang, Zhichao Qin, Binglin Li and Zisheng Guo
Molecules 2024, 29(18), 4504; https://doi.org/10.3390/molecules29184504 - 23 Sep 2024
Viewed by 710
Abstract
This study explores the efficient conversion of castor oil to sebacic acid utilizing iron oxide (Fe2O3) loaded on activated carbons as catalysts. Through a combination of saponification, acidification, and catalytic cracking, sebacic acid was produced with a notable yield [...] Read more.
This study explores the efficient conversion of castor oil to sebacic acid utilizing iron oxide (Fe2O3) loaded on activated carbons as catalysts. Through a combination of saponification, acidification, and catalytic cracking, sebacic acid was produced with a notable yield improvement. The process involved using liquid paraffin as a thinning agent, overcoming the limitations of traditional toxic agents. The catalysts were prepared via adsorption-precipitation-calcination methods, with ultrasonication pretreatment to enhance iron adsorption on activated carbons. The chemical composition, structure, and morphology properties were investigated by different characterizations; such as scanning electron microscopy (SEM), thermogravimetric analysis (TG/DTG). Systematic investigations into the adsorption capacity, catalytic activity, and operational parameters like temperature, reaction time, and catalyst recycling were conducted. The optimized method achieved a sebacic acid yield of 83.4%, significantly higher than traditional methods (60.2%), with improved safety and environmental impact. The study provides valuable insights into sustainable and efficient sebacic acid production which is crucial for industrial applications in processing of castor oil. Full article
(This article belongs to the Topic Catalysis: Homogeneous and Heterogeneous, 2nd Edition)
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11 pages, 3808 KiB  
Article
Restructuring and Hydrogen Evolution on Sub-Nanosized PdxBy Clusters
by De Zhang, Ruijing Wang, Sijia Luo and Guangfeng Wei
Molecules 2024, 29(15), 3549; https://doi.org/10.3390/molecules29153549 - 28 Jul 2024
Viewed by 606
Abstract
As a Pt-group element, Pd has been regarded as one of the alternatives to Pt-based catalysts for the hydrogen evolution reaction (HER). Herein, we performed density functional theory (DFT) computations to explore the most stable structures of PdxBy (x [...] Read more.
As a Pt-group element, Pd has been regarded as one of the alternatives to Pt-based catalysts for the hydrogen evolution reaction (HER). Herein, we performed density functional theory (DFT) computations to explore the most stable structures of PdxBy (x = 6, 19, 44), revealed the in situ structural reconstruction of these clusters under acidic conditions, and evaluated their HER activity. We found that the presence of B can prevent underpotential hydrogen adsorption and activate the H atoms on the cluster surface for the HER. The theoretical calculations show that the reaction barrier for the HER on ~1 nm sized Pd44B4 can be as low as 0.36 eV, which is even lower than for the same-sized Pt and Pd2B nanoparticles. The ultra-high HER activity of sub-nanosized PdxBy clusters makes them a potential new and efficient HER electro-catalyst. This study provides new ideas for evaluating and designing novel nanocatalysts based on the structural reconstruction of small-sized nanoparticles in the future. Full article
(This article belongs to the Topic Catalysis: Homogeneous and Heterogeneous, 2nd Edition)
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18 pages, 3491 KiB  
Article
Ring-Opening Polymerization of Cyclohexene Oxide and Cycloaddition with CO2 Catalyzed by Amine Triphenolate Iron(III) Complexes
by Peng Li, Sixuan Li, Xin Dai, Shifeng Gao, Zhaozheng Song and Qingzhe Jiang
Molecules 2024, 29(9), 2139; https://doi.org/10.3390/molecules29092139 - 4 May 2024
Viewed by 1199
Abstract
A series of novel amine triphenolate iron complexes were synthesized and characterized using UV, IR, elemental analysis, and high-resolution mass spectrometry. These complexes were applied to the ring-opening polymerization (ROP) of cyclohexene oxide (CHO), demonstrating excellent activity (TOF > 11050 h−1) [...] Read more.
A series of novel amine triphenolate iron complexes were synthesized and characterized using UV, IR, elemental analysis, and high-resolution mass spectrometry. These complexes were applied to the ring-opening polymerization (ROP) of cyclohexene oxide (CHO), demonstrating excellent activity (TOF > 11050 h−1) in the absence of a co-catalyst. In addition, complex C1 maintained the dimer in the presence of the reaction substrate CHO, catalyzing the ring-opening polymerization of CHO to PCHO through bimetallic synergy. Furthermore, a two-component system consisting of iron complexes and TBAB displayed the ability to catalyze the reaction of CHO with CO2, resulting in the formation of cis-cyclic carbonate with high selectivity. Complex C4 exhibited the highest catalytic activity, achieving 80% conversion of CHO at a CHO/C4/TBAB molar ratio of 2000/1/8 and a CO2 pressure of 3 MPa for 16 h at 100 °C, while maintaining >99% selectivity of cis-cyclic carbonates, which demonstrated good conversion and selectivity. Full article
(This article belongs to the Topic Catalysis: Homogeneous and Heterogeneous, 2nd Edition)
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11 pages, 4560 KiB  
Article
Co/SiO2 Catalyst for Methoxycarbonylation of Acetylene: On Catalytic Performance and Active Species
by An Wang, Hongchen Cao, Leilei Zhang and Aiqin Wang
Molecules 2024, 29(9), 1987; https://doi.org/10.3390/molecules29091987 - 26 Apr 2024
Viewed by 925
Abstract
Reppe carbonylation of acetylene is an atom-economic and non-petroleum approach to synthesize acrylic acid and acrylate esters, which are key intermediates in the textile, leather finishing, and polymer industries. In the present work, a noble metal-free Co@SiO2 catalyst was prepared and evaluated [...] Read more.
Reppe carbonylation of acetylene is an atom-economic and non-petroleum approach to synthesize acrylic acid and acrylate esters, which are key intermediates in the textile, leather finishing, and polymer industries. In the present work, a noble metal-free Co@SiO2 catalyst was prepared and evaluated in the methoxycarbonylation reaction of acetylene. It was discovered that pretreatment of the catalyst by different reductants (i.e., C2H2, CO, H2, and syngas) greatly improved the catalytic activity, of which Co/SiO2-H2 demonstrated the best performance under conditions of 160 °C, 0.05 MPa C2H2, 4 MPa CO, and 1 h, affording a production rate of 4.38 gMA+MP gcat−1 h−1 for methyl acrylate (MA) and methyl propionate (MP) and 0.91 gDMS gcat−1 h−1 for dimethyl succinate (DMS), respectively. Transmission electron microscopy (TEM), X-ray diffraction (XRD), and diffuse reflectance infrared Fourier transform spectra of CO adsorption (CO-DRIFTS) measurements revealed that an H2 reduction decreased the size of the Co nanoparticles and promoted the formation of hollow architectures, leading to an increase in the metal surface area and CO adsorption on the catalyst. The hot filtration experiment confirmed that Co2(CO)8 was generated in situ during the reaction or at the pre-activation stage, which served as the genuine active species. Our work provides a facile and convenient approach to the in situ synthetization of Co2(CO)8 for a Reppe carbonylation reaction. Full article
(This article belongs to the Topic Catalysis: Homogeneous and Heterogeneous, 2nd Edition)
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26 pages, 9040 KiB  
Review
Research Progress on Atomically Dispersed Fe-N-C Catalysts for the Oxygen Reduction Reaction
by Yuebin Lian, Jinnan Xu, Wangkai Zhou, Yao Lin and Jirong Bai
Molecules 2024, 29(4), 771; https://doi.org/10.3390/molecules29040771 - 7 Feb 2024
Cited by 2 | Viewed by 1893
Abstract
The efficiency and performance of proton exchange membrane fuel cells (PEMFCs) are primarily influenced by ORR electrocatalysts. In recent years, atomically dispersed metal–nitrogen–carbon (M-N-C) catalysts have gained significant attention due to their high active center density, high atomic utilization, and high activity. These [...] Read more.
The efficiency and performance of proton exchange membrane fuel cells (PEMFCs) are primarily influenced by ORR electrocatalysts. In recent years, atomically dispersed metal–nitrogen–carbon (M-N-C) catalysts have gained significant attention due to their high active center density, high atomic utilization, and high activity. These catalysts are now considered the preferred alternative to traditional noble metal electrocatalysts. The unique properties of M-N-C catalysts are anticipated to enhance the energy conversion efficiency and lower the manufacturing cost of the entire system, thereby facilitating the commercialization and widespread application of fuel cell technology. This article initially delves into the origin of performance and degradation mechanisms of Fe-N-C catalysts from both experimental and theoretical perspectives. Building on this foundation, the focus shifts to strategies aimed at enhancing the activity and durability of atomically dispersed Fe-N-C catalysts. These strategies encompass the use of bimetallic atoms, atomic clusters, heteroatoms (B, S, and P), and morphology regulation to optimize catalytic active sites. This article concludes by detailing the current challenges and future prospects of atomically dispersed Fe-N-C catalysts. Full article
(This article belongs to the Topic Catalysis: Homogeneous and Heterogeneous, 2nd Edition)
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