Results 181 to 190 of about 22,798 (266)

Multiscale Design of Anion Exchange Membrane‐Based Seawater Electrolysis for Sustainable Hydrogen Production

open access: yesAdvanced Energy Materials, EarlyView.
Direct seawater electrolysis using anion exchange membranes is emerging as a promising route for sustainable hydrogen production. This review summarizes multiscale design strategies from seawater chemistry and OER–ClER selectivity to catalysts, membranes, MEAs, cells, stacks, and system integration, providing a roadmap toward selective, durable, and ...
Chiho Kim   +7 more
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

open access: yesAIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim   +2 more
wiley   +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

Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water. [PDF]

open access: yesNat Commun
Díaz Mirón G   +6 more
europepmc   +1 more source

Formation of Gallium Monofluoride in the Coordination Sphere of Nickel

open access: yesAngewandte Chemie, EarlyView.
The elusive gas‐phase species gallium monofluoride forms selectively in the coordination sphere of a nickel(II) centre as a product of C(sp3)–F bond activation, with a weakly coordinating anion as the fluorine source. The herein reported gallium monofluoride ligand acts as a very strong σ‐donor ligand at nickel and serves as a fluorine donor towards ...
Johannes Stephan   +6 more
wiley   +1 more source

Satellite quantification of enhanced methane oxidation applied to the stratospheric plume following Hunga Tonga-Hunga Ha'apai eruption. [PDF]

open access: yesNat Commun
van Herpen MMJW   +6 more
europepmc   +1 more source

Incorporation of Organic Counter‐Cations Into Poly(Heptazine Imide) Networks for Promoting Proton‐Coupled Electron Transfer During Photocatalytic H2O2 Evolution

open access: yesAngewandte Chemie, EarlyView.
Incorporation of N‐based onium ions into the ionic framework of poly(heptazine imide) was obtained via protonation‐deprotonation of PHI frameworks arising from a parent Na‐containing analogue. Particularly, methylammonium moieties, through their small molecular size, hydrogen bonding capabilities and rotational mobility, appear to stabilize ...
Dingqiao Ji   +6 more
wiley   +1 more source

Peroxide‐Assisted Solvate Engineering Enables Record‐High Birefringence in a Solar‐Blind Transparent Crystal

open access: yesAngewandte Chemie, EarlyView.
H2O2‐directed solvate engineering reorganizes ∞[4HP] (4‐hydroxypyridine) chains from a crossed arrangement into a nearly parallel packing through strengthened hydrogen‐bonding interactions. The resulting peroxide‐containing crystal, 4HP·H2O2, exhibits a solar‐blind UV cutoff edge (278 nm) and giant birefringence (0.609 @ 546 nm). This work demonstrates
Yang Li, Congcong Jin, Kang Min Ok
wiley   +1 more source

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