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ACS Catalysis
Scopus
ISSN 2155-5435 · American Chemical Society · 43 artikel di indeks
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Artikel Jurnal Teks lengkap
Assessment of Four Engineered PET Degrading Enzymes Considering Large-Scale Industrial Applications
High Resolution Image Download MS PowerPoint Slide In recent years, enzymatic recycling of the widely used polyester polyethylene terephthalate (PET) has become a complementary solution to current thermomechanical recycling for colored, opaque, and mixed PET. A large set of promising hydrolases…
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The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts
The development of machine learning models for electrocatalysts requires a broad set of training data to enable their use across a wide variety of materials. One class of materials that currently lacks sufficient training data is oxides, which are critical for the development of Oxygen Evolution…
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Heterolytic Dissociation of H 2 in Heterogeneous Catalysis
H2 dissociation plays crucial roles in catalytic hydrogenation reactions and hydrogen storage. Metal-nanoparticle-based heterogeneous catalysts often dissociate H2 via a homolytic pathway. The heterolytic H2 dissociation pathway was identified in several heterogeneous catalytic systems, including…
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Mechanism-Based Design of Efficient PET Hydrolases
Polyethylene terephthalate (PET) is the most widespread synthetic polyester, having been utilized in textile fibers and packaging materials for beverages and food, contributing considerably to the global solid waste stream and environmental plastic pollution. While enzymatic PET recycling and…
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Insight on Reaction Pathways of Photocatalytic CO 2 Conversion
value-added products, taking into account the experimental evidence and theoretical calculation on the surface adsorption, proton and electron transfer, and products desorption. Finally, the remaining challenges in the field, including mechanistic understanding, reactor design, economic…
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Bismuth Redox Catalysis: An Emerging Main-Group Platform for Organic Synthesis
-block elements. Although it is not redox catalysis in nature, we also discuss a recent example of non-Lewis acid, redox-neutral Bi(III) catalysis proceeding through catalytic organometallic steps. We close by discussing opportunities and future directions in this emerging field of catalysis. We…
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Perovskite Oxide Based Electrodes for the Oxygen Reduction and Evolution Reactions: The Underlying Mechanism
One hindrance to the development of fuel cells and electrolyzers are the oxygen electrodes, which suffer from high overpotentials and slow kinetics. Perovskite oxides have been shown to be promising oxygen electrode catalysts because of their low cost, flexibility, and tailorable properties. In…
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Understanding Cation Trends for Hydrogen Evolution on Platinum and Gold Electrodes in Alkaline Media
High Resolution Image Download MS PowerPoint Slide In this work, we study how the cation identity and concentration alter the kinetics of the hydrogen evolution reaction (HER) on platinum and gold electrodes. A previous work suggested an inverted activity trend as a function of alkali metal cation…
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Open Catalyst 2020 (OC20) Dataset and Community Challenges
Catalyst discovery and optimization is key to solving many societal and energy challenges including solar fuel synthesis, long-term energy storage, and renewable fertilizer production. Despite considerable effort by the catalysis community to apply machine learning models to the computational…
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Revealing the CO Coverage-Driven C–C Coupling Mechanism for Electrochemical CO 2 Reduction on Cu 2 O Nanocubes via Operando Raman Spectroscopy
High Resolution Image Download MS PowerPoint Slide Electrochemical reduction of carbon dioxide (CO 2 RR) is an attractive route to close the carbon cycle and potentially turn CO 2 into valuable chemicals and fuels. However, the highly selective generation of multicarbon products remains a…
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Polypropylene Plastic Waste Conversion to Lubricants over Ru/TiO 2 Catalysts
Plastic recycling and upcycling are required to combat the environmental crisis from landfilling consumer products. Chemocatalytic technologies are the most promising approach to achieve this. Here, we show that ruthenium deposited on titania is an active and selective catalyst in polypropylene…
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Operando Methods in Electrocatalysis
Electrocatalysis has been the cornerstone for enhancing energy efficiency, minimizing environmental impacts and carbon emissions, and enabling a more sustainable way of meeting global energy needs. Elucidating the structure and reaction mechanisms of electrocatalysts at electrode–electrolyte…
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Challenges and Opportunities in Multicatalysis
Multicatalysis is an emerging field targeting the development of efficient catalytic transformations to quickly convert relatively simple starting materials into more complex value-added products. Within multicatalytic processes either multiple catalysts execute single reactions or precise…
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Co Single Atoms in ZrO2 with Inherent Oxygen Vacancies for Selective Hydrogenation of CO2 to CO
Controlling the selectivity of products among CO, methane, and methanol is a challenge in CO 2 hydrogenation. Catalysts with oxygen vacancies are helpful for CO 2 activation, but they exhibit poor CO selectivity as intermediates stabilized over oxygen vacancies undergo deep hydrogenation to…
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Elucidating the Facet-Dependent Selectivity for CO2 Electroreduction to Ethanol of Cu–Ag Tandem Catalysts
Despite being desirable high-value products of the electrochemical CO 2 reduction reaction (CO 2 RR), alcohols are still obtained with lower selectivity compared to hydrocarbons and the reaction pathways leading to their formation are still under debate. In this joint experimental–computational…
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Host, Suppressor, and Promoter—The Roles of Ni and Fe on Oxygen Evolution Reaction Activity and Stability of NiFe Alloy Thin Films in Alkaline Media
High Resolution Image Download MS PowerPoint Slide Understanding the oxygen evolution reaction (OER) activity and stability of the NiFe-based materials is important for achieving low-cost and highly efficient electrocatalysts for practical water splitting. Here, we report the roles of Ni and Fe on…
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Aromatics Production via Methanol-Mediated Transformation Routes
The methanol-to-aromatics (MTA) process is regarded as a promising route to produce aromatic commodities through non-petroleum carbon resources, such as biomass, waste, coal, natural gas, and CO2. In contrast with the industrially implemented methanol-to-olefin (MTO) process, most MTA studies are…
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Oxidative Dehydrogenation of Propane to Propylene with Soft Oxidants via Heterogeneous Catalysis
Oxidative dehydrogenation of propane to propylene can be achieved using conventional, oxygen-assisted dehydrogenation of propane (O 2 –ODHP) or via the use of soft oxidants, such as CO 2, N 2 O, S-containing compounds, and halogens/halides. The major roles of soft oxidants include inhibiting…
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Nickel-Catalyzed Dicarbofunctionalization of Alkenes
1,2-Dicarbofunctionalization of alkenes has emerged as an efficient synthetic strategy for preparing substituted molecules by coupling readily available alkenes with electrophiles and/or nucleophiles. Nickel complexes serve as effective catalysts owing to their tendency to undergo facile oxidative…
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Photocatalytic CO2 Reduction: A Review of Ab Initio Mechanism, Kinetics, and Multiscale Modeling Simulations
Abstract Climate change has prompted scientists to search for possible ways of reducing CO2 emissions or even capturing it from the atmosphere. Catalytic reduction of CO2 into value-added chemicals has been put forward as a viable strategy. While thermocatalytic routes of producing CO, methanol…