Results 121 to 130 of about 45,379 (303)
Advanced Science, EarlyView.Lanthanide‐doped polyurea microspheres are prepared via a facile one‐step precipitation polymerization. They exhibit strong hydrogen‐bonding and coordination interactions with excellent properties, including multicolor emission, high quantum yield (75.3%), remarkable stability, redispersibility, and biocompatibility.
Guiyu Zhang +9 more
wiley +1 more source
Machine‐Learning Framework for Designing Stable Interfaces in All‐Solid‐State Lithium‐Ion Batteries
Advanced Science, EarlyView.A data‐driven strategy is developed to discover coating materials for all‐solid‐state lithium batteries. Using calculations of interfacial reactivity, unsupervised pattern recognition, and machine‐learning prediction, the study identifies low‐reactivity compositional patterns and screens new lithium‐based oxide and polyanion candidates, extending ...
Sehyeok Park +4 more
wiley +1 more source
Chemoselective phospho-anion binding studies [PDF]
, 2005 An investigation has been carried out, studying the interaction of various bioactive anions, particularly phosphorylated species, with well-defined chiral lanthanide complexes.
Atkinson, Paul
core
Emerging Materials and Future Strategies for Solid Oxide Electrochemical Cells
Advanced Energy Materials, EarlyView.Solid oxide electrochemical cells operate under strongly coupled electrochemical and thermodynamic conditions, where performance is constrained by interactions among crystal structure, defect chemistry, and interfacial evolution. This review, based on a structure‐defect‐property‐durability framework, reveals the roles of lattice symmetry and defect ...
Qiuchun Lu +4 more
wiley +1 more source
Advanced Energy Materials, EarlyView.A Gd‐doped Cu2O electrocatalyst disrupts rigid interfacial hydrogen‐bonding networks, creating a free‐water‐rich microenvironment. This accelerates proton‐coupled electron transfer, enabling selective high‐rate CO2‐to‐ethanol conversion with 48.5% Faradaic efficiency at industrially relevant current densities.
Hyunwoo Kim +11 more
wiley +1 more source
Advanced Energy Materials, EarlyView.Ir‐based double perovskites restructure during acidic oxygen evolution electrocatalysis through dissolution of non‐Ir cations and convergence toward IrOx active‐site motifs with similar structure and intrinsic activity across compositions. The identity of the dissolving cations controls dissolution and surface reconstruction kinetics, clarifying how ...
Harrison H. Lippie +5 more
wiley +1 more source
A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons
Advanced Intelligent Discovery, EarlyView.We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam +5 more
wiley +1 more source
Angewandte Chemie, EarlyView.Operando luminescence thermometry shows that the local catalyst temperature can exceed the set oven temperature by almost 250°C during the exothermic oxidative coupling of methane process. We demonstrate how the reactor dimensions, catalyst grain size, and reactant feed mixture affect the local temperature.
Daniël W. Groefsema +5 more
wiley +2 more sources
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
Advanced Intelligent Discovery, EarlyView.We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
, 2018 Two series of lanthanide metal–organic frameworks (MOFs) formulated as {Ln2(TBrTA)3(H2O)8·2H2O}n [Ln = La (1), Ce (2), Pr (3), Nd (4), Sm (5), Eu (6), Gd (7), Tb (8), Dy (9)] series 1, {[Ln3(TBrTA)6][Ln(H2O)8]·6H2O}n [Ln = Ho (10), Er (11), Tm (12),
Korey P. Carter (2399845) +4 more
core +1 more source