Catalysis: Homogeneous and Heterogeneous, 2nd Edition

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

Participating Journals

Journal Name	Impact Factor	CiteScore	Launched Year	First Decision (median)	APC
Catalysts catalysts	3.8	6.8	2011	12.9 Days	CHF 2200
Chemistry chemistry	2.4	3.2	2019	13.4 Days	CHF 1800
Materials materials	3.1	5.8	2008	15.5 Days	CHF 2600
Molbank molbank	0.6	0.7	1997	13.9 Days	CHF 500
Molecules molecules	4.2	7.4	1996	15.1 Days	CHF 2700

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Published Papers (5 papers)

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14 pages, 5879 KiB  

Open AccessArticle

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 1216

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  

Open AccessArticle

Restructuring and Hydrogen Evolution on Sub-Nanosized Pd_xB_y 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

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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 Pd_xB_y (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 Pd_xB_y (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 Pd_xB_y 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  

Open AccessFeature PaperArticle

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

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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  

Open AccessArticle

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

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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 g_MA+MP g_cat⁻¹ h⁻¹ for methyl acrylate (MA) and methyl propionate (MP) and 0.91 g_DMS g_cat⁻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  

Open AccessReview

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 3 | Viewed by 2300

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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