Results 241 to 250 of about 2,718,980 (303)
Atomic Tuning of Metal‐Support Interactions for Pathway‐Selective CO2 Photoreduction on TiO2
Advanced Science, EarlyView.Single‐atom Fe and Cu catalysts anchored on TiO2 steer photocatalytic CO2 reduction toward distinct pathways. Fe sites favor rapid *CO desorption and selective CO formation, whereas Cu sites stabilize *CHO intermediates, enabling deep reduction and C─C coupling. Combined spectroscopy and DFT calculations reveal how metal–support interactions and oxygen
Dongyun Kim +13 more
wiley +1 more source
Advanced Science, EarlyView.High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren +8 more
wiley +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced 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
Advanced 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
Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks
Advanced Science, EarlyView.Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley +1 more source
Photonic‐Enabled Energy‐Efficient Transparent Neuromorphic Computing Devices: A Review
Advanced Science, EarlyView.Transparent photonic neuromorphic computing devices merge optics and brain‐inspired computing to overcome von Neumann bottlenecks with ultrafast, low‐energy processing. By exploiting transparent oxides, 2D materials, phase‐change materials, and hybrid heterostructures, these platforms enable photonic synapses, memory, and logic for see‐through edge ...
Shuvaraj Ghosh +8 more
wiley +1 more source
Recent Advances in Carbon Cathode Materials toward High‐Performing Zinc‐Ion Hybrid Supercapacitors
Advanced Science, EarlyView.Aqueous zinc‐ion hybrid supercapacitors (ZHSCs) have emerged as promising next‐generation electrochemical energy‐storage devices. Porous carbon materials have been extensively studied as cathodes, with advances in tailoring pore structures and material properties to enhance performance.
Take Hirooka +3 more
wiley +1 more source
Deep generative modeling for AI-guided inverse design of perovskite photovoltaic devices. [PDF]
Front Artif IntellKhan PA +4 more
europepmc +1 more source