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Combinatorial and High-Throughput Technologies for the Discovery and Optimization of Catalysts

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

Deadline for manuscript submissions: closed (29 February 2020) | Viewed by 8961

Special Issue Editor

Prof. Dr. Klaus Stowe

E-Mail Website
Guest Editor
Chemical Technology, Institute for Chemistry, Natural Science Faculty, Chemnitz Technical University, Chemnitz, Germany
Interests: heterogeneous catalysis (combinatorial and high-throughput catalyst discovery and optimization; catalyst design; reaction kinetics; adsorption phenomena; SCR; automotive emissions control; electrocatalysts and fuel cells; CO2 utilization; microstructured reactors); materials synthesis by CC and HTE (energy storage materials; nanoscaled chalcogenides)
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Combinatorial and high-throughput (CHT) technologies for the discovery and optimization of catalysts have now become an indispensable tool for catalysis research. Including biosciences, the actual number of Scifinder entries on this topic is more than 11,000. CHT couples the capability for parallel production of arrays of catalyst libraries with different high-throughput measurement techniques for catalytic performance properties, followed by data mining in the collected data to identify “lead” materials. This also includes dynamic or reversible chemistry approaches, such as self-assembly, self-selection or self-evolving libraries. The presently generated set of tools for productivity acceleration is impressive and demonstrates the broad applicability of CHT experimentation technologies in catalysis. This is the foundation for continuing to make substantial improvements in the efficiency and economics of catalytic processes.

This Special Issue focuses on recent advances in catalyst discovery and optimization by combinatorial and high-throughput methods in homogeneous and heterogeneous catalysis, as well as biocatalysis. This also includes methodological and theoretical approaches and developments. The objectives of the issue are to further establish this matured field by monitoring recent developments in catalyst synthesis, characterization, and data mining. Additionally, industrial applications of catalyst developments are welcome, especially when they illustrate successful applications of high-throughput technologies.

You may choose our Joint Special Issue in High-Throughput.

Prof. Klaus Stowe
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

  • Heterogeneous and homogeneous catalysis or biocatalysis
  • Electrocatalysis
  • Combinatorial chemistry
  • High-throughput technologies
  • High-throughput experimentation
  • Catalyst discovery
  • Catalyst optimization
  • “Lead” identification
  • Efficiency improvements
  • Sustainability increase
  • Catalyst economics
  • Methodological approaches
  • Theoretical developments
  • Industrial applications

Published Papers (3 papers)

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Research

19 pages, 5177 KiB  
Article
Material Discovery and High Throughput Exploration of Ru Based Catalysts for Low Temperature Ammonia Decomposition
by Katherine McCullough, Pei-Hua Chiang, Juan D. Jimenez and Jochen A. Lauterbach
Materials 2020, 13(8), 1869; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13081869 - 16 Apr 2020
Cited by 25 | Viewed by 4480
Abstract
High throughput experimentation has the capability to generate massive, multidimensional datasets, allowing for the discovery of novel catalytic materials. Here, we show the synthesis and catalytic screening of over 100 unique Ru-Metal-K based bimetallic catalysts for low temperature ammonia decomposition, with a Ru [...] Read more.
High throughput experimentation has the capability to generate massive, multidimensional datasets, allowing for the discovery of novel catalytic materials. Here, we show the synthesis and catalytic screening of over 100 unique Ru-Metal-K based bimetallic catalysts for low temperature ammonia decomposition, with a Ru loading between 1–3 wt% Ru and a fixed K loading of 12 wt% K, supported on γ-Al2O3. Bimetallic catalysts containing Sc, Sr, Hf, Y, Mg, Zr, Ta, or Ca in addition to Ru were found to have excellent ammonia decomposition activity when compared to state-of-the-art catalysts in literature. Furthermore, the Ru content could be reduced to 1 wt% Ru, a factor of four decrease, with the addition of Sr, Y, Zr, or Hf, where these secondary metals have not been previously explored for ammonia decomposition. The bimetallic interactions between Ru and the secondary metal, specifically RuSrK and RuFeK, were investigated in detail to elucidate the reaction kinetics and surface properties of both high and low performing catalysts. The RuSrK catalyst had a turnover frequency of 1.78 s−1, while RuFeK had a turnover frequency of only 0.28 s−1 under identical operating conditions. Based on their apparent activation energies and number of surface sites, the RuSrK had a factor of two lower activation energy than the RuFeK, while also possessing an equivalent number of surface sites, which suggests that the Sr promotes ammonia decomposition in the presence of Ru by modifying the active sites of Ru. Full article
(This article belongs to the Special Issue Combinatorial and High-Throughput Technologies for the Discovery and Optimization of Catalysts)
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15 pages, 1779 KiB  
Article
Synthesis and Characterization of Bismuth-Cerium Oxides for the Catalytic Oxidation of Diesel Soot
by Sabrina C. Hebert and Klaus Stöwe
Materials 2020, 13(6), 1369; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13061369 - 18 Mar 2020
Cited by 9 | Viewed by 2042
Abstract
In this paper, the syntheses of a set of cerium-bismuth mixed oxides with the formula Ce1−xBixO2−x/2, where the range of x is 0.0 to 1.0 in 10 mol% steps, via co-precipitation methods is described. Two synthesis routes [...] Read more.
In this paper, the syntheses of a set of cerium-bismuth mixed oxides with the formula Ce1−xBixO2−x/2, where the range of x is 0.0 to 1.0 in 10 mol% steps, via co-precipitation methods is described. Two synthesis routes are tested: The “normal” and the so called “reverse strike” (RS) co-precipitation route. The syntheses are performed with an automated synthesis robot. The activity for Diesel soot oxidation is measured by temperature programmed oxidation with an automated, serial thermogravimetric and differential scanning calorimetry system (TGA/DSC). P90 is used as a model soot. An automated and reproducible tight contact between soot and catalyst is used. The synthesized catalysts are characterized in terms of the specific surface area according to Brunauer, Emmett and Teller (SBET), as well as the dynamic oxygen storage capacity (OSCdyn). The crystalline phases of the catalysts are analysed by powder X-ray diffraction (PXRD) and Raman spectroscopy. The elemental mass fraction of the synthesized catalysts is verified by X-ray fluorescence (XRF) analysis. A correlation between the T50 values, OSCdyn and SBET has been discovered. The best catalytic performance is exhibited by the catalyst with the formula RS-Ce0.8Bi0.2Ox which is synthesized by the reverse strike co-precipitation route. Here, a correlation between activity, OSCdyn, and SBET can be confirmed based on structural properties. Full article
(This article belongs to the Special Issue Combinatorial and High-Throughput Technologies for the Discovery and Optimization of Catalysts)
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17 pages, 2848 KiB  
Article
Development of A Novel High Throughput Photo-catalyst Screening Procedure: UV-A Degradation of 17α-Ethinylestradiol with Doped TiO2-Based Photo-catalysts
by Tony B. Engelhardt, Sabine Schmitz-Stöwe, Thomas Schwarz and Klaus Stöwe
Materials 2020, 13(6), 1365; https://0-doi-org.brum.beds.ac.uk/10.3390/ma13061365 - 18 Mar 2020
Cited by 5 | Viewed by 2146
Abstract
The rising pollution of surface water by endocrine disruptive chemicals (EDCS) could lead to the persistent harm of aquatic wildlife. Addressing this concern, advanced waste water treatment techniques should be established in addition to the present sewage treatment. Therefore, the promising advanced oxidation [...] Read more.
The rising pollution of surface water by endocrine disruptive chemicals (EDCS) could lead to the persistent harm of aquatic wildlife. Addressing this concern, advanced waste water treatment techniques should be established in addition to the present sewage treatment. Therefore, the promising advanced oxidation process of photocatalysis is discussed. With the aim of establishing a novel high throughput screening approach for photocatalysts, a workflow resting upon the use of a self-constructed 60-fold parallel stirring UV-A LED photoreactor, followed by parallel sample extraction by SPE and sequential automated analysis by GC-MS, was developed, and is presented in this article. With the described system, TiO2-based photocatalysts, doped with different amounts of zinc, and synthesised by a sol-gel-route, were tested regarding their activity in the photocatalytic degradation of the synthetic estrogen 17α-ethinylestradiol. Thereby, the functional behavior of the photoreactor system and its applicability in a high throughput process could be evaluated. As a result of the catalyst screening, TiO2 catalysts with low amounts of zinc were found with a significantly higher activity, compared to undoped TiO2. In conclusion, the presented system provides an easily accessible high throughput method for a variety of photocatalytic experiments. Full article
(This article belongs to the Special Issue Combinatorial and High-Throughput Technologies for the Discovery and Optimization of Catalysts)
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