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   Articles with "catalyst design" as a keyword



Machine learning for heterogeneous catalyst design and discovery

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recommendations! Published in 2018 at "Aiche Journal"

DOI: 10.1002/aic.16198

Abstract: Advances in machine learning (ML) are making a large impact in many fields, including: artificial intelligence, materials science, and chemical engineering. Generally, ML tools learn from data to find insights or make fast predictions of… read more here.

Keywords: catalyst; heterogeneous catalyst; machine learning; catalyst design ... See more keywords

Electrooxidation of Glycerol to Formic Acid: from Catalyst Design Strategies to Key Coupled Systems.

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recommendations! Published in 2025 at "ChemSusChem"

DOI: 10.1002/cssc.202500220

Abstract: As a major by-product of biodiesel production, glycerol offers significant economic potential when effectively utilized. The electrooxidation of glycerol to formic acid in couped systems has attracted considerable attentions due to its environmental friendliness, cost-effectiveness,… read more here.

Keywords: electrooxidation glycerol; electrooxidation; formic acid; coupled systems ... See more keywords
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Conversion of CO2 to C1 chemicals: Catalyst design, kinetics and mechanism aspects of the reactions

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recommendations! Published in 2020 at "Catalysis Today"

DOI: 10.1016/j.cattod.2019.08.049

Abstract: Abstract The conversion of carbon dioxide, an abundant and inexpensive feedstock to valuable chemicals is a contemporary challenge with multiple facets. There is a need to elucidate the process of utilizing CO2 to gain a… read more here.

Keywords: aspects reactions; co2 chemicals; chemicals catalyst; conversion co2 ... See more keywords

Roads less traveled: Nitrogen reduction reaction catalyst design strategies for improved selectivity

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recommendations! Published in 2021 at "Current Opinion in Electrochemistry"

DOI: 10.1016/j.coelec.2021.100723

Abstract: Abstract Direct electrochemical nitrogen reduction for ammonia production is necessary to reduce the use of fossil fuels from conventional Haber-Bosch methods. Applications of nitrogen reduction electrocatalysts remain inhibited by slow reaction kinetics and low faradaic… read more here.

Keywords: reduction; reaction; nitrogen reduction; catalyst design ... See more keywords
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Zeolite catalyst design for the conversion of glucose to furans and other renewable fuels

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recommendations! Published in 2019 at "Fuel"

DOI: 10.1016/j.fuel.2019.115851

Abstract: Abstract The abundance of biomass resources for glucose production coupled with feasibilities for its valorization into furans and other value-added fuels and chemicals undoubtedly infer good opportunities for the industry. We have documented herein a… read more here.

Keywords: glucose furans; catalyst design; conversion glucose; zeolite catalyst ... See more keywords

Oxidative coupling of benzoic acids with alkynes: Catalyst design and selectivity

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recommendations! Published in 2017 at "Journal of Organometallic Chemistry"

DOI: 10.1016/j.jorganchem.2017.11.013

Abstract: Abstract The review covers the mechanism insights and recent achievements in catalyst design for oxidative coupling of benzoic acids and alkynes. This reaction is a straightforward effective approach to synthesis of isocoumarins or naphthalenes. The… read more here.

Keywords: acids alkynes; catalyst design; oxidative coupling; coupling benzoic ... See more keywords
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Space-confined catalyst design toward ultrafine Pt nanoparticles with enhanced oxygen reduction activity and durability

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recommendations! Published in 2020 at "Journal of Power Sources"

DOI: 10.1016/j.jpowsour.2020.228607

Abstract: Abstract Carbon supported platinum nanoparticles have been widely used to catalyze oxygen reduction reaction (ORR), however, their real-world applications in polymer electrolyte membrane fuel cells (PEMFCs) is mainly bottlenecked by insufficient catalytic activity and durability… read more here.

Keywords: catalyst design; durability; catalyst; activity ... See more keywords
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Computational Ligand Descriptors for Catalyst Design.

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recommendations! Published in 2019 at "Chemical reviews"

DOI: 10.1021/acs.chemrev.8b00588

Abstract: Ligands, especially phosphines and carbenes, can play a key role in modifying and controlling homogeneous organometallic catalysts, and they often provide a convenient approach to fine-tuning the performance of known catalysts. The measurable outcomes of… read more here.

Keywords: catalyst design; ligand descriptors; descriptors catalyst; computational ligand ... See more keywords

Catalyst Design for Selective Hydrodeoxygenation of Glycerol to 1,3-Propanediol

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recommendations! Published in 2020 at "ACS Catalysis"

DOI: 10.1021/acscatal.0c04167

Abstract: Biomass-derived glycerol is an ideal feedstock for replacing fossil resources in manufacturing propanediols (PDOs) via selective hydrodeoxygenation (HDO) because of the high atomic economy. However... read more here.

Keywords: design selective; catalyst design; glycerol propanediol; hydrodeoxygenation glycerol ... See more keywords

Bioinspired, Multidisciplinary, Iterative Catalyst Design Creates the Highest Performance Peroxidase Mimics and the Field of Sustainable Ultradilute Oxidation Catalysis (SUDOC)

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recommendations! Published in 2019 at "ACS Catalysis"

DOI: 10.1021/acscatal.9b01409

Abstract: Oxidation catalysts called NewTAMLs, macrocyclic complexes with TAML carbonamido-N donors replaced by more nucleophile-resistant binders, sulfonamido-N, for example, [Fe{4-NO2C6H3-1,2-(NCOCMe2NSO2)... read more here.

Keywords: catalyst design; oxidation; iterative catalyst; multidisciplinary iterative ... See more keywords

Leveraging Heterogeneous Catalyst Design Principles for Volatile PFAS Destruction through the Thermal Decomposition of CF4

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recommendations! Published in 2025 at "ACS Omega"

DOI: 10.1021/acsomega.5c07477

Abstract: The mineralization of per- and polyfluoroalkyl substances could be enhanced with the use of catalysts to circumvent the large energy inputs needed to reach the high temperatures theoretically required for destruction of CF4, the most… read more here.

Keywords: catalyst; cf4; catalyst design; heterogeneous catalyst ... See more keywords