Results 241 to 250 of about 72,633 (314)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

open access: yesAdvanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu   +5 more
wiley   +1 more source

Fundamentals of Thermal Transport and Energy Conversion in Ultra‐High Temperature Ceramics: From Microscale Mechanisms to Macroscopic Properties

open access: yesAdvanced Science, EarlyView.
This review critically examines thermal transport and radiative properties of ultra‐high temperature ceramics for hypersonic flight, advanced nuclear systems, and next‐generation energy conversion devices. It explores phonon–photon–electron interactions, microstructural engineering, thermoelectric conversion, and machine learning‐accelerated multiscale
Zhipeng Pei   +8 more
wiley   +1 more source

Simultaneous Wastewater‐to‐Hydrogen Upgrading via Mechanically Driven Piezocatalysis Over Ag‐ZnO Nanorods

open access: yesAdvanced Science, EarlyView.
A piezocatalytic strategy enables simultaneous wastewater purification and hydrogen generation by harnessing mechanical energy. Complementary piezo‐induced charges are selectively directed toward oxidation and reduction pathways, achieving efficient pollutant degradation and continuous H2 evolution.
Yiqing Wei   +8 more
wiley   +1 more source

Excitonic, Optical, and Photovoltaic Properties of the 1T-NiO<sub>2</sub> Monolayer. [PDF]

open access: yesACS Omega
Oliveira IDS   +6 more
europepmc   +1 more source

W‐N‐C Tandem Catalytic Centers Mediating Efficient Charge Transfer for the Enhanced Radical‐Path U(VI) Photoreduction

open access: yesAdvanced Science, EarlyView.
This work constructed a tandem W−N−C center to simultaneously achieve the regulation of reaction pathways and optimization of charge separation efficiency. The Lewis‐acidic W6+ sites activated O2 to generate O2−$O_2^ - $, with enhanced charge separation via electronic modulation, steering U(VI) reduction down an efficient radical pathway.
Zhiyao Wu   +11 more
wiley   +1 more source

SuryaBench: Benchmark Dataset for Advancing Machine Learning in Heliophysics and Space Weather Prediction. [PDF]

open access: yesSci Data
Roy S   +24 more
europepmc   +1 more source

V2CTx MXene as a Sacrificial Promoter for NiFe Catalyst for Anion Exchange Membrane Electrolyzers

open access: yesAdvanced Science, EarlyView.
These findings demonstrate that V2CTx functions beyond passive conductive support as an active electronic participant whose structural legacy sustains durable performance even after vanadium leaching in Anion Exchange Membrane (AEM) Electrolysers. ABSTRACT Nickel‐iron layered double hydroxides (NiFe‐LDH) show excellent activity, their poor conductivity
Bastian Schmiedecke   +12 more
wiley   +1 more source

Correction: Self-powered mechanoluminescent elastomer for solar-blind ultraviolet emission. [PDF]

open access: yesLight Sci Appl
Lv X   +10 more
europepmc   +1 more source

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