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Smarter search for fuel-cell catalysts using machine learning

Researchers have developed a new computational workflow combining generative AI with atomistic simulations to identify promising platinum alloy catalyst structures for hydrogen fuel cells. The method produces high-performing candidates from several material combinations, addressing a longstanding challenge in catalyst design.

SourceInstitute of Science Tokyo·Journalnpj Computational Materials·TypeExperimental study·DateMay 11, 2026

Researchers suggest new design principle for lithium conversion battery catalysts

Researchers challenged thermodynamic-based framework for catalyst design and proposed new principle focusing on declining efficiency of solid-phase electron transport. They designed homonuclear cobalt-cobalt dual-atom catalyst DA-CoCo, significantly enhancing charge transport in solid intermediates, validating the new design principle.

SourceChinese Academy of Sciences Headquarters·JournalNature Catalysis·TypeExperimental study·DateMay 11, 2026

Computational tools offer new opportunities for understanding catalysis

Researchers from the University of Jyväskylä emphasize the importance of multiscale modeling in understanding and developing electrochemical processes. The study highlights the need for a thorough understanding of methods used and reactions studied, as computational tools can reliably model phenomena on different scales.

SourceUniversity of Jyväskylä - Jyväskylän yliopisto·JournalACS Catalysis·TypeComputational simulation/modeling·DateMay 5, 2026

Scientists unlock secret behind strong acidity in fluorinated aluminas

Researchers identify strong Brønsted acid site (BAS) in fluorinated γ-Al₂O₃ using advanced solid-state NMR techniques. The site is present only on fluorinated alumina and exhibits exceptional robustness, enhancing catalytic activity and aromatization performance.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalJournal of the American Chemical Society·TypeComputational simulation/modeling·DateApr 30, 2026

Spin regulation of Fe single site induced by adjacent mg site achieving excellent oxygen reduction catalysis

Researchers developed a Fe-Mg dual-atom catalyst that regulates spin states to optimize the oxygen reduction reaction, achieving exceptional electrocatalytic metrics and surpassing platinum benchmarks. The optimized catalyst delivers outstanding stability and viability for real-world applications.

SourceShanghai Jiao Tong University Journal Center·JournalNano-Micro Letters·TypeNews article·DateApr 28, 2026

A simple way of making hydrogen from alcohol by using iron and UV light

Scientists at Kyushu University have developed a simple method to produce hydrogen gas by mixing methanol with iron ions and irradiating it with UV light. The reaction produces a considerable amount of hydrogen gas comparable to that of previously reported systems, opening up new possibilities for sustainable hydrogen technologies.

SourceKyushu University·JournalCommunications Chemistry·TypeExperimental study·DateApr 17, 2026

Closing the carbon cycle: Unraveling the roles of light and heat in CO2 photocatalysis

Researchers at Chiba University have found that a balance between photocatalytic and photothermal processes is necessary for efficient CO2 conversion. The team achieved high rates of CO2-to-methane conversion by controlling temperature and light intensity, providing a pathway toward designing more efficient catalysts.

SourceChiba University·JournalJournal of the American Chemical Society·TypeExperimental study·DateApr 16, 2026

Researchers propose multiscale electrode design for high-efficiency hydrogen production

A team from Dalian Institute of Chemical Physics proposed an atomic-to-macro multiscale electrode design to achieve high-efficiency and long-life hydrogen production. The design features abundant atomic heterointerfaces and tri-scale porosity, enhancing water electrolysis and improving mass transfer efficiency.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalJournal of the American Chemical Society·TypeComputational simulation/modeling·DateApr 15, 2026

Researchers capture images of interface-controlled bulk oxygen spillover for the first time

Scientists have tracked oxygen spillover in catalysts using environmental transmission electron microscopy and observed bulk oxygen spillover for the first time in Ru/rutile-TiO2 catalysts. The research provides new approaches for utilizing catalyst bulk, enabling it to contribute to mass transfer during catalytic reactions.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalNature·TypeCommentary/editorial·DateApr 15, 2026

Bottled lightning makes a cleaner fuel

Researchers at Northwestern University have developed a single-step process to turn methane into methanol without high heat and pressures. The method harnesses tiny bursts of plasma to break the chemical bonds in methane, producing a cleaner-burning fuel for ships and industrial boilers.

SourceNorthwestern University·JournalJournal of the American Chemical Society·TypeExperimental study·DateApr 15, 2026

Single-atom catalyst enables high-efficiency electrocatalytic ethylene epoxidation

A research team from the Dalian Institute of Chemical Physics has developed a novel strategy for direct electrocatalytic ethylene epoxidation using a platinum single-atom catalyst. The catalyst enhances EO production efficiency by stabilizing superoxo species, achieving a Faradaic efficiency of 74% and a partial current density of 71 m...

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalJournal of the American Chemical Society·TypeCommentary/editorial·DateApr 12, 2026

“Synthesizing only the desired mirror-image form”: DGIST develops precision assembly technology for key drug scaffolds

Researchers at DGIST have developed a novel catalytic technology that can easily assemble key structural frameworks of bioactive compounds exclusively in the desired mirror-image form. The technology uses an inexpensive nickel catalyst to synthesize β-methylene carbonyl derivatives, which are crucial for pharmaceuticals.

Precise construction of chiral cyclic imine esters by transient binary copper co-catalysis

Researchers developed a highly efficient dual-copper catalyzed asymmetric tandem reaction for synthesizing chiral N-unprotected cyclic imine esters, achieving excellent stereoselectivity and high substrate universality. The method demonstrates potential in medicinal chemistry and has shown significant antiviral activity.

SourceChinese Chemical Society·JournalCCS Chemistry·TypeExperimental study·DateApr 7, 2026

AI helps scientists design smarter biochar to remove antibiotics from water

Researchers developed an AI tool to predict how effectively biochar materials break down antibiotics, offering a faster and smarter way to design environmental cleanup technologies. The framework accurately estimates reaction rates and provides scientific insights into material characteristics that influence performance.

SourceBiochar Editorial Office, Shenyang Agricultural University·JournalBiochar·TypeExperimental study·DateApr 6, 2026

Agricultural waste-derived biochar dramatically boosts ozone treatment to remove persistent water pollutant

Researchers developed a nitrogen-doped biochar that enhances ozone-based water treatment efficiency by over 100 times, removing persistent pollutants like DEET. The catalyst also shows strong performance against pharmaceuticals and herbicides, offering a promising solution for tackling emerging contaminants.

SourceBiochar Editorial Office, Shenyang Agricultural University·JournalBiochar·TypeExperimental study·DateApr 6, 2026

Researchers develop solar-powered polystyrene upcycling technology

Researchers have developed a novel solar-driven co-upcycling strategy that enables the synergistic valorization of waste polystyrene and elemental sulfur. The approach integrates clean solar energy with the high-value utilization of industrial byproducts, resulting in the conversion of plastic waste into high-value chemicals.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalJournal of the American Chemical Society·TypeCommentary/editorial·DateMar 30, 2026

New biochar design enables stable and long-lasting oxygen release for environmental applications

Researchers developed a new type of engineered biochar that can deliver oxygen in a controlled and stable way, overcoming limitations of current materials. The phosphate-modified biochar demonstrated strong environmental adaptability, making it suitable for complex natural environments.

SourceBiochar Editorial Office, Shenyang Agricultural University·JournalBiochar·TypeExperimental study·DateMar 27, 2026

Researchers develop "self-transforming" catalyst to redefine CO₂ hydrogenation

A collaborative research team has developed a gas-induced structure evolution strategy to create a 'self-transforming' catalyst that selectively converts CO2 into carbon monoxide. The catalyst achieves a targeted shift in product selectivity, increasing the CO/CH4 ratio and enhancing CO selectivity.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalNature Communications·TypeCommentary/editorial·DateMar 25, 2026

Researchers develop high-performance catalyst for CO2-to-formate conversion

Scientists have developed a novel catalyst that enables efficient conversion of CO2 into formate, which is widely used across industries. The catalyst, comprising Co atoms confined within the MoS2 lattice, shows superior catalytic activity and selectivity compared to traditional materials.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalNature Communications·TypeCommentary/editorial·DateMar 25, 2026

Frustrated Lewis pair chemistry enables dual atom insertion to build bioactive molecules

Researchers from NUS developed a boron-catalysed method to transform oxetanes into larger, medicinally relevant 1,3-oxazinanes with selective insertion of two building blocks, carbon and nitrogen units. This approach harnesses frustrated Lewis pair activation to upgrade cheap starting materials into bioactive compounds.

SourceNational University of Singapore·JournalNature Synthesis·TypeExperimental study·DateMar 23, 2026

Comprehensive digital materials ecosystem streamlines material design

Researchers at Tohoku University have developed a comprehensive digital materials ecosystem that integrates AI tools to streamline materials design, enabling faster and more accurate discovery of new materials. The ecosystem uses databases, AI, and scientific workflows to predict material properties and optimize design processes.

Researchers achieve efficient bicarbonate-mediated integrated capture and electrolysis of carbon dioxide

A team of researchers achieved efficient bicarbonate-mediated integrated carbon dioxide capture and electrolysis to produce CO, reducing energy consumption and improving process performance. The new process couples CO2 capture with electrocatalytic conversion, enabling a closed-loop cycle.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalAngewandte Chemie International Edition·TypeCommentary/editorial·DateMar 9, 2026

Researchers enhance photocatalytic hydrogen evolution performance of covalent organic frameworks by constitutional isomer strategy

The study introduces a conformational isomer strategy to precisely tune nitrogen atom positions in covalent organic frameworks, enhancing photocatalytic hydrogen evolution performance. The imine-linked COF-I2 exhibits superior performance due to the synergistic effect between Pt clusters and single atoms.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalAngewandte Chemie International Edition·TypeCommentary/editorial·DateMar 5, 2026

Atomic precision unlocks smarter oxygen reduction catalysts

Researchers at Tohoku University discovered that subtle variations in coordination symmetry significantly alter reaction energetics and product selectivity in single-atom electrocatalysts. Asymmetric Co-N3 sites exhibited enhanced overall ORR activity, while lower-symmetry Co-N5 centers achieved the highest selectivity toward hydrogen ...

SourceAdvanced Institute for Materials Research (AIMR), Tohoku University·JournalJournal of the American Chemical Society·DateFeb 26, 2026

Coffee waste turned into clean air solution: researchers develop sustainable catalyst to remove toxic hydrogen sulfide

A team of environmental chemists developed a new catalyst made from discarded coffee grounds that efficiently removes hydrogen sulfide, a highly toxic industrial gas, while producing elemental sulfur. The material was produced through a two-step process and demonstrated outstanding performance during laboratory testing.

SourceBiochar Editorial Office, Shenyang Agricultural University·JournalBiochar·TypeExperimental study·DateFeb 25, 2026

Study: New class of catalysts could dramatically change playing field in nickel catalysis

Researchers at the University of Illinois Urbana-Champaign have developed a new method for synthesizing thermally stable Ni(I) compounds that opens new avenues for building complex molecules. The new catalysts exhibit rapid ligand substitution, exceptional performance in key reactions, and chemo-selectivity.

How topological surfaces boost clean energy catalysts

Researchers discovered that topological surface states can survive and be optimized by electrochemical reconstruction, leading to near-peak ORR activity. The study reveals the importance of considering quantum topology and electrochemical surface chemistry together for next-generation electrocatalysts.

SourceAdvanced Institute for Materials Research (AIMR), Tohoku University·JournalThe Journal of Physical Chemistry Letters·DateJan 29, 2026

A visible light-catalyzed delayed aryl migration strategy for precise ipso-, para-difunctionalization of aromatic amines

Researchers developed a novel photoredox catalytic radical-polar cross-reaction to achieve precise bifunctionalization of inert C–N bonds and para-C–H bonds in olefin-substituted aniline derivatives. The strategy utilizes sulfur dioxide to capture Meisenheimer intermediates, suppressing the classical free radical aryl migration pathway.

SourceChinese Chemical Society·JournalCCS Chemistry·TypeExperimental study·DateJan 14, 2026