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Latest posts tagged with #Catalysis on Bluesky

Posts tagged #Catalysis

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Discover boron chemistry in #catalysis in our next Thieme #Cheminar with our speakers Hirohisa Ohmiya (Japan), Elena Fernández (Spain), and James Morken (USA). Chaired by Martin Oestreich.

📅 Apr 14 | 🕑 14:00 CET

👉 Sign up now to save your spot: bit.ly/4t2czfA
#ChemSky

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Substrate crystallinity governs the binding-activity trade-off in cellulases The enzymatic deconstruction of plant biomass might become vital to the sustainable production of fuels and materials, and cellulases are the most important enzymes for this purpose. The current work uses a large kinetic dataset to explore the nature of the transition state (TS) of cellulases. We report that the activation barrier reflects changes in non-covalent interactions during the association and dissociation steps and sketch the approximate structures of the associated TSs. These TSs depend strongly on substrate crystallinity.

Online Now: Substrate crystallinity governs the binding-activity trade-off in cellulases #catalysis

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Microenvironment engineering of electrocatalysts for high-performance Zn-CO2 batteries Aqueous rechargeable Zn-CO2 batteries (ZCBs) have emerged as a highly promising technology, offering a dual solution to the challenges of sustainable energy storage and CO2 conversion into value-added fuels and chemicals. In this review, Huang et al. present a comprehensive summary of recent progress in materials innovation for ZCB systems, with a particular focus on electrode materials design and engineering for enhancing #catalytic performance and overall device efficiency.

Online Now: Microenvironment engineering of electrocatalysts for high-performance Zn-CO2 batteries #catalysis

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🧪 Efficient Pd/C-catalyzed hydrogenation of diene carboxylates!

A catalyst from Pd₂(dba)₃ on activated carbon (5% Pd) delivers high yields of fully saturated products, including challenging 5-membered rings.

🔗 Read more: bit.ly/4mbFnQk

#ChemSky #Catalysis #OrganicChemistry

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Voc Catalysts Market Size, Share, and Industry Outlook 2026 www.marketresearchfuture.com/reports/voc-...
#VOCCatalysts #AirPurification #EnvironmentalTech #Catalysis #EmissionControl #Innovation #TechMarket

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Early transition metal Cu-based single-atom alloys for selective propane dehydrogenation to propylene This work reveals that incorporating early transition metals into Cu(111) forms highly promising catalysts for selective propane dehydrogenation. Not only are they more selective, but they are also more active than the conventional Pt catalysts. This superior reactivity stems from the depletion of anti-bonding orbitals between the active atom and the rate-limiting transition state, weakening unfavorable interactions. This unique electronic effect, combined with the inherent geometric constraints that inhibit undesired side reactions, makes them an excellent alternative for this reaction.

Online Now: Early transition metal Cu-based single-atom alloys for selective propane dehydrogenation to propylene #catalysis

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Substrate-induced redox reconstruction of nickel sites in organic oxidation #electrocatalysis We present Ni12P5 nanostructures as an efficient (pre)catalyst in alkaline media. They transform into Ni(III/IV) oxyhydroxides under OER conditions but revert to Ni(II) active states in the presence of HMF or AmTET. Quasi in situ XAS, along with in situ Raman, confirms this reversible redox shift, highlighting their robustness and adaptability.

Online Now: Substrate-induced redox reconstruction of nickel sites in organic oxidation #electrocatalysis #catalysis

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#catalytic strategies and mechanisms for enhancing MgH2 solid-state hydrogen storage MgH2 offers high hydrogen capacity but suffers from sluggish, surface-controlled dehydrogenation. This perspective highlights the “burst effect,” where the first surface dehydrogenation step is the main kinetic bottleneck, and uses it as a unifying framework to reinterpret #catalytic strategies, atomistic mechanisms, and theory-guided design. By linking surface chemistry to macroscopic kinetics, it outlines practical directions for catalyst development, descriptor discovery, and data-driven inverse design in solid-state hydrogen storage.

Online Now: #catalytic strategies and mechanisms for enhancing MgH2 solid-state hydrogen storage #catalysis

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#MaterialsScience #Catalysis #SurfaceEngineering #OpenAccess #ChemSky

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In a study published in Microsystems & Nanoengineering, researchers reported a spiral-microchannel platform for continuously producing morphology-tailored polystyrene microspheres loaded with Ag, Ag-Au, or Ag-Pt nanoparticles.
#catalysis
Details: doi.org/10.1038/s41378-026-01176-6

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Electrochemical ammonia oxidation reaction: Product selectivity, mechanisms, and catalyst strategies This review focuses on electrochemical ammonia oxidation product selectivity, covering assay methods and reaction mechanisms categorized by intermediates, mediating species, and #catalytic phase. Key determinants such as operating potential, electrolyte conditions, and catalyst surface are examined for tuning selectivity, while commercialization challenges and future improvements are also addressed.

Online Now: Electrochemical ammonia oxidation reaction: Product selectivity, mechanisms, and catalyst strategies #catalysis

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Electrolyte Organization Leads to Potential-Dependence in Thermochemical Catalysis of Nonpolar Reactions Electrochemical polarization is now known to play a key role in thermochemical catalysis at solid–liquid interfaces. However, existing frameworks cannot account for why even nonpolar, nonfaradaic reac...

pubs.acs.org/doi/10.1021/... #echemsky #chemistry #catalysis @mitchemistry.bsky.social @mit.edu @acs.org

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Halide-induced Cu+ sites for efficient CO electroreduction to n-propanol By introducing halide ions into the electrolyte, the interface microenvironment between the electrode and the electrolyte was optimized, achieving a maximum Faradaic efficiency of 44.7% for n-propanol. This provides fundamental insights into the efficient electrochemical synthesis of propanol through the regulation of the electrolyte and further advances electrochemical technology for the conversion of CO into fuels.

Online Now: Halide-induced Cu+ sites for efficient CO electroreduction to n-propanol #catalysis

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⚛️ Single atom catalysis (SAC) delivers higher efficiency and reciclability, especially in reactions such as CO₂ conversion and green ammonia synthesis. #IUPACTop2025
🔗 www.degruyterbrill.com/document/doi...
#SingleAtomCatalysis #GreenChemistry #Catalysis #Sustainability #IUPACTop2025

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Solvent tuning regulates proton flux to extend stability in reactive CO2 capture and electrolysis Integrated CO2 capture and electrochemical conversion offer energy-efficient chemical production, though commercial viability is currently limited by low electrolysis stability. This work demonstrates that solvent tuning effectively regulates interfacial proton flux, significantly extending cell durability in a closed-loop system to advance practical carbon utilization.

Online Now: Solvent tuning regulates proton flux to extend stability in reactive CO2 capture and electrolysis #catalysis

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Molecular trick to reverse SN2 step in a haloalkane dehalogenase Haloalkane dehalogenases catalyze an SN2 nucleophilic substitution to erase halogen substituents in organohalogen compounds. The acid-base-nucleophile triad secures irreversible SN2 displacement of the halogen for the hydroxyl derived from the water. In this report, we elucidate a molecular basis for how this originally irreversible SN2 process becomes fully reversible in a histidine-to-phenylalanine mutant, favoring a transhalogenation chemistry. This offers a greener alternative for industrial transhalogenation processes, applicable in the recycling of environmentally harmful halogenated compounds.

Online Now: Molecular trick to reverse SN2 step in a haloalkane dehalogenase #catalysis

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Oscillatory redox behavior in oxides: Cyclic surface reconstruction and reactivity modulation via the Mars–van Krevelen mechanism | PNAS The breaking of translational symmetry at oxide surfaces gives rise to coordinatively unsaturated cations/anions and surface restructuring—key fact...

Research: doi.org/10.1073/pnas...
@pnas.org

#ScienceMatters #Catalysis #MaterialsScience #Nanotechnology #HydrogenEnergy #PNAS #SurfaceChemistry #CleanEnergy #AtomicScale #ResearchBreakthrough

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Coenzyme-Mediated Enantioselective Carboligation via Cross-β Amyloid Microphases Stereoselective carbon–carbon (C–C) bond formation is a fundamental transformation in metabolism, enabling the generation of chiral molecules essential for life’s chemical complexity. While modern enz...

Just out @jacs.acspublications.org
We show that short peptide-based assemblies can promote enantioselective carboligation! #SystemsChem #suprachem #catalysis Grateful to @ANRFIndia & @DBTIndia
@iiserkol @dcsiiserkol
pubs.acs.org/doi/10.1021/... Check out our latest works ddaslab.com

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BIDMaP Seminar | April 2

Join Tibor Szilvasi on using machine learning to model heterogeneous catalysts at the atomic level and reveal how they function in realistic environments.

🗓 Thursday, April 2
⏰ 12:00 PM
📍 Cory Hall 373

🔗 Learn more: https://bit.ly/4lWuYrh
#BIDMaP #Catalysis #AIforScience

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Bayesian optimization guides the discovery of high-performance catalysts for direct CO2-to-jet-fuel conversion Bayesian optimization was used to guide the discovery of an unconventional CO2 Fischer-Tropsch catalyst selective to jet-fuel-range hydrocarbons. The Fe1Cu1.8K0.01 catalyst achieved the highest C5+ yield reported for CO2-FT, with more than 70% of the liquid product in the jet-fuel range and stable composition over extended operation. After upgrading, the CO2-derived liquid shows strong potential for blending into conventional jet fuel.

Online Now: Bayesian optimization guides the discovery of high-performance catalysts for direct CO2-to-jet-fuel conversion #catalysis

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Frontiers in atomic-level manufacturing: atomic-scale electrochemical deposition

Frontiers in atomic-level manufacturing: atomic-scale electrochemical deposition

Researchers evaluate atomic-scale electrochemical deposition, addressing the technical challenges of single-atom precision to enable next-generation applications in #MolecularElectronics and high-efficiency #Catalysis.

#OpenAccess: doi.org/10.1088/2631...

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Microenvironment control strategies for stable single-atom catalysts in Fenton water treatment This review focuses on single-atom catalysts in Fenton-like systems, establishing links between coordination microenvironments and atomic structures while tracking their dynamic evolution. A multi-level strategy is proposed to tune these microenvironments, involving interactions between metal atoms, support materials, and non-covalent forces. To address efficient control of dynamic microenvironments, the potential of machine-learning-assisted strategies and large-scale catalyst applications in complex reaction environments is emphasized. Lastly, the challenges and prospects faced by the coordination microenvironment are summarized.

Online Now: Microenvironment control strategies for stable single-atom catalysts in Fenton water treatment #catalysis

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Electricity-driven plasma-thermocatalytic cascade for direct nitrogen fertilizer production from air and water To address the environmental challenges of conventional nitrogen fertilizer production, a fully electricity-driven plasma-thermal #catalytic cascade is proposed for NH4NO3 synthesis from air and water. N2 (from air) and water vapor are activated in a plasma discharge to generate NOx and H2, with a portion of NO converted to NH3 via thermocatalytic hydrogenation. The remaining NOx and the generated NH3 are co-absorbed in the presence of O2 to form an aqueous NH4NO3 solution, enabling nitrogen fertilizer production without fossil fuels.

Online Now: Electricity-driven plasma-thermocatalytic cascade for direct nitrogen fertilizer production from air and water #catalysis

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In situ and operando characterization of photo/photothermocatalytic CO2 reduction Real-time operando and in situ tools uncover how photocatalysts evolve and activate during solar-driven CO2 reduction, while integrated techniques reveal structural, electronic, and mechanistic dynamics under reaction conditions. Multimodal approaches provide a holistic view of catalyst behavior and intermediate formation, enabling deeper mechanistic clarity. Building on these insights, AI-accelerated analysis and next-generation platforms enhance data interpretation and predictive capabilities. Together, these advancements guide the rational design of efficient catalysts and advance sustainable CO2 conversion technologies.

Online Now: In situ and operando characterization of photo/photothermocatalytic CO2 reduction #catalysis

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✨ ICMS #SciTalks returns on April 14!

The researcher Juan Pedro Holgado will present results from his work on TiO₂‑modified bentonite for improved Ni catalysts in methane dry reforming.

🔗 Article: link.springer.com/article/10.1...
#Catalysis #DRM #CleanEnergy

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Sonia's cartoon impression of our talk at the Syngasconvention5 this March in Cape Town.

Sonia's cartoon impression of our talk at the Syngasconvention5 this March in Cape Town.

Malte Behrens presenting our latest results at the Syngasconvention5 this March in Cape Town

Malte Behrens presenting our latest results at the Syngasconvention5 this March in Cape Town

👉 Syngas at its best: This week in Cape Town, the international catalysis community has discussed progress and new approaches to create and convert syngas in a sustainable manner.

📊 From our group, recent results from Yannick, Jihao and Shilong on the […]

[Original post on fediscience.org]

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Spin effects in CO methanation over promoted Ni catalysts Magnetism can directly influence how catalysts work. In CO methanation on Ni catalysts, promoter metals enhance activity by suppressing the surface magnetic moment, strengthening key intermediate binding and lowering bond-breaking barriers. The binding enhancement scales with spin reduction, and new reaction pathways become accessible. This study introduces spin-state engineering as a practical strategy for tuning the activity and mechanism in magnetic metal catalysts.

Online Now: Spin effects in CO methanation over promoted Ni catalysts #catalysis

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Dynamic reconstruction and solvation effects in CO2 reduction catalysts Understanding the coupling between dynamic surface reconstruction and solvation is crucial for CO2RR catalyst design. This perspective highlights how molecular dynamics (MD) simulations uncover reconstruction-induced active sites and the regulatory role of interfacial water through cavity formation energy. Emerging links between surface restructuring and hydrogen-bond networks are discussed, and machine-learning-accelerated MD is showcased as a bridge between static models and realistic operando electrochemical interfaces.

Online Now: Dynamic reconstruction and solvation effects in CO2 reduction catalysts #catalysis

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Dynamic interfacial microenvironments in electrochemical CO2 reduction The selectivity of multi-carbon (C2+) products in electrochemical CO2 reduction is determined by dynamically coupled interfacial states under operating conditions. Mass transport, local microenvironments, and catalyst reconstruction evolve concurrently during reaction and collectively shape the accessibility of sustained C–C coupling pathways. Identifying and regulating these dynamic interfacial states could provide a pathway toward rational CO2-to-C2+ electrosynthesis and guide the design of #catalytic interfaces under realistic electrochemical conditions.

Online Now: Dynamic interfacial microenvironments in electrochemical CO2 reduction #catalysis

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Cross-tuning Co0.85Se nanoparticles and Co single-atom sites for efficient and stable rechargeable zinc-air batteries Rechargeable zinc-air batteries are limited by the insufficient activity and stability of catalysts at the air cathode. This work introduces a catalyst design that simultaneously improves oxygen reaction performance and durability, enabling record energy density and long cycle life for next-generation energy storage.

Online Now: Cross-tuning Co0.85Se nanoparticles and Co single-atom sites for efficient and stable rechargeable zinc-air batteries #catalysis

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