Results 171 to 180 of about 124,365 (283)

Main‐Chain Ion‐Pair Polybenzimidazole Membranes Enabling Reduced‐Temperature HT‐PEMFC Operation (Down to 120°C)

open access: yesAdvanced Energy Materials, EarlyView.
Embedding imidazolium‐biphosphate ion pairs directly into the polybenzimidazole main chain simultaneously stabilizes phosphoric acid and preserves continuous proton transport pathways. Strong ion‐pair and hydrogen‐bond interactions suppress acid leaching while maintaining high conductivity, enabling stable and durable high‐temperature fuel cell ...
Huina Lin, Brian C. Benicewicz
wiley   +1 more source

Quantum algorithm for protein-ligand docking sites identification in the interaction space. [PDF]

open access: yesJ Comput Aided Mol Des
Liliopoulos I   +7 more
europepmc   +1 more source

Molecular Design and Interfacial Functions of Self‐Assembled Monolayers for Perovskite and Tandem Solar Cells

open access: yesAdvanced Energy Materials, EarlyView.
We identify two decisive levers for SAM interfaces: molecular design (carboxylic acid‐based, phosphonic acid, other anchoring chemistries, and polymeric SAMs) and mixing routes (co‐assembly, in situ assembly, pre‐ and post‐treatment). Coordinated tuning of headgroups and assembly pathways optimises energy alignment and film formation, suppresses ...
Jiaxu Zhang, Bochun Kang, Feng Yan
wiley   +1 more source

Application of Neural Networks for Advanced Ir Spectroscopy Characterization of Ceria Catalysts Surfaces

open access: yesAdvanced Intelligent Discovery, EarlyView.
A novel convolutional neural network architecture enables rapid, unsupervised analysis of IR spectroscopic data from DRIFTS and IRRAS. By combining synthetic data generation with parallel convolutional layers and advanced regularization, the model accurately resolves spectral features of adsorbed CO, offering real‐time insights into ceria surface ...
Mehrdad Jalali   +5 more
wiley   +1 more source

Structure and Spectroscopic Characterisation of Phenanthroline‐Based Iodobismuthate(III) Complexes Utilised for Raw Acoustic Signal Classification

open access: yesAdvanced Intelligent Discovery, EarlyView.
Memristors based on trimethylsulfonium (phenanthroline)tetraiodobismuthate have been utilised as a nonlinear node in a delayed feedback reservoir. This system allowed an efficient classification of acoustic signals, namely differentiation of vocalisation of the brushtail possum (Trichosurus vulpecula).
Ewelina Cechosz   +4 more
wiley   +1 more source

Quantum Negotiation Games: Toward Ethical Equilibria. [PDF]

open access: yesEntropy (Basel)
Smoliński R   +3 more
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia   +1 more
wiley   +1 more source

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