Results 121 to 130 of about 145,232 (261)
Advanced Materials, EarlyView.We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano +5 more
wiley +1 more source
Experimentally-based Fe-catalyzed ethene oligomerization machine learning model provides highly accurate prediction of propagation/termination selectivity. [PDF]
Chem SciYang B +6 more
europepmc +1 more source
Ultra‐High‐Throughput Discovery of Multifunctional Polyphenolic Coatings on Droplet Microarrays
Advanced Materials, EarlyView.An ultra‐high‐throughput (UHT) combinatorial strategy enables the miniaturized synthesis and screening of ≈30 000 polyamine‐polyphenolic (PaPp) coatings using droplet microarrays (DMA). This approach reveals hundreds of previously unknown fluorescent, redox‐active, and antibacterial materials, including multifunctional, cell‐compatible surfaces ...
Vania Tanda Widyaya +11 more
wiley +1 more source
Advanced Materials, EarlyView.Atomically precise functionalization by N‐heterocyclic carbenes enhances the catalytic efficiency of macroscopically defined step edges toward electrochemical CO2${\rm CO}_2$ reduction. Sub‐molecular imaging reveals conformational differences between specific NHCs, which can be correlated with their catalytic performance. Photoelectron spectroscopy and
Philipp Wiesener +9 more
wiley +1 more source
Advanced Materials, EarlyView.A titania‐supported Co1/Ru single‐atom alloy catalyst enables efficient polypropylene hydrogenolysis. Ru─Co─Ru motifs maintain Ru activity while suppressing excessive chain scission to gaseous products. Both virgin and waste plastics achieve high, environmentally and economically optimal C11+ liquid yields, supporting sustainable chemical recycling ...
Yuzhen Ge +6 more
wiley +1 more source
Advanced Materials, EarlyView.We developed a new series of monomeric (MY) and dimeric acceptors incorporating unfused (DY1) and fused (DY2) linkers, which establish a controlled self‐aggregation trend of MY > DY2 > DY1. The DY2‐based system yields a bulk‐heterojunction nanoparticle morphology that appears to balance phase separation and interfacial accessibility, consistent with ...
Jin‐Woo Lee +11 more
wiley +1 more source
Interpreting terminal selectivity in undirected C(sp<sup>3</sup>)-H functionalization: kinetic insights and mechanistic implications. [PDF]
Chem SciTu JL, Guo L, Huang B, Xia W.
europepmc +1 more source
Advanced Materials, EarlyView.A dual‐additive electrolyte strategy is developed to address the hydrolysis of I+ in the aqueous electrolytes. The steric‐hindrance effect of TES− effectively shields I+ from nucleophilic attacks by hydroxyl groups, facilitating the reversible I−/I0/I+ conversion with four‐electron transfer.
Shuai Wang +8 more
wiley +1 more source
Recent Advances in Coordination-Insertion Copolymerization of Ethylene with Polar Monomers Catalyzed with Pd and Ni Complexes. [PDF]
Polymers (Basel)Hu S, Zhou Y, Hu H, Mao G, Xin S.
europepmc +1 more source
Advanced Materials, EarlyView.Oppositely charged single enzyme nanogels (SENs) phase‐separate into bi‐enzymatic coacervate microdroplets, acting as both scaffold and functional units. By tuning SEN ratios, these coacervates create specific microenvironments that enable selective small‐molecule enrichment and efficient intermediate diffusion.
Andoni Rodriguez‐Abetxuko +11 more
wiley +1 more source