Results 301 to 310 of about 3,683,476 (381)

Bridging Theory and Experiment: Machine Learning Potential‐Driven Insights into pH‐Dependent CO₂ Reduction on Sn‐Based Catalysts

open access: yesAdvanced Functional Materials, EarlyView.
Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang   +9 more
wiley   +1 more source

Search Engine Technology and Digital Libraries

open access: gold, 2004
Friedrich Summann, Norbert Lossau
openalex   +1 more source

The Influence of Annealing on the Sb Layer in the Synthesis of [001]‐Oriented Sb2Se3 Film for Photoelectrochemical Hydrogen Gas Generation

open access: yesAdvanced Functional Materials, EarlyView.
[001]‐oriented Sb2Se3 film with improved crystallinity and adjusted composition is achieved via a new thermal treatment approach consisting of preliminary annealing of the Sb layer before its selenization. The findings of this work demonstrate enhanced charge carriers' transportation, a stable performance, and an improvement of H2 generation from ...
Magno B. Costa   +7 more
wiley   +1 more source

Quantifying Electron and Ion Transfers in Contact Electrification with Ionomers

open access: yesAdvanced Functional Materials, EarlyView.
The concurrent existence of both electron and ion transfers in solid‐ionomer contact electrification is reported. The ion transfer contributes significantly to the process of contact electrification, especially at high humidity, although only less than 2% of ions participate in the ion transfer, suggesting that there is room for further performance ...
Xiaoting Ma   +5 more
wiley   +1 more source

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

open access: yesAdvanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir   +4 more
wiley   +1 more source

Wood Reconfiguration Enables Broadband Blackbody in Large‐Area, Modular, Optically Welded Carbon Constructs

open access: yesAdvanced Functional Materials, EarlyView.
Wood‐based broadband blackbody is achieved by reconfiguration of wood with lignin nanoparticles prior carbonization. Neglectable reflectivity from the visible to infrared wavelengths is obtained by combining thin nanostructures originated from the wood cell walls with long‐range microcavities in the wood lumina.
Bin Zhao   +7 more
wiley   +1 more source

Selective Benzene Capture by Metal‐Organic Frameworks

open access: yesAdvanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han   +4 more
wiley   +1 more source

Covalent Adaptable Networks with Associative Siloxane Exchange Enabled by Amide‐Based Internal Catalysis: Designing for Reprocessability and Extrudability by Increasing the Cross‐Link Density

open access: yesAdvanced Functional Materials, EarlyView.
Internally catalyzed siloxane dynamic chemistry is demonstrated resulting from amides covalently linked through alkyl chains to siloxanes. The alkyl length in the siloxane‐containing monomer tunes the network cross‐link density. Siloxane exchange dynamics are faster with increasing cross‐link density, because associative exchange is second order in ...
Nathan S. Purwanto   +5 more
wiley   +1 more source

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