Results 151 to 160 of about 1,722,857 (346)

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

open access: yesAdvanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu   +8 more
wiley   +1 more source

Preparação e atividade catalítica de agregados nanoestruturados de metais nobres estabilizados por surfactantes dipolares iônicos baseados no anel imidazol [PDF]

open access: yes, 2012
Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Programa de Pós-Graduação em Química.O presente trabalho descreve a aplicação de uma classe especial de surfactantes para a síntese de nanopartículas ...
Souza, Bruno Silveira de
core  

Palladium-Catalyzed Chemoselective Protodecarboxylation of Polyenoic Acids

open access: yes, 2018
Conditions for the first palladium-catalyzed chemoselective protodecarboxylation of polyenoic acids to give the desired polyenes in good yields are presented.
Matthew K. Garr (6014420)   +7 more
core   +1 more source

Synergy of Pd Clusters and TiO2 {101} for Photocatalytic Nonoxidative Coupling of Methane

open access: yesAdvanced Science, EarlyView.
This study presents photocatalytic nonoxidative coupling of methane over cal‐Pd0.05/TiO2{101}, achieving near 100% selectivity and long‐term stability under mild flow conditions through synergistic single atoms and clusters catalysis. ABSTRACT Photocatalytic nonoxidative coupling of methane (NOCM) offers a sustainable route to valorize CH4 into C2 ...
Jianlong Yang   +2 more
wiley   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

open access: yesAdvanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue   +6 more
wiley   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

open access: yesAdvanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan   +8 more
wiley   +1 more source

Bimetallic Iron-Palladium Catalyst System as a Lewis-Acid for the Synthesis of Novel Pharmacophores Based Indole Scaffold as Anticancer Agents. [PDF]

open access: yesMolecules, 2021
Islam MS   +7 more
europepmc   +1 more source

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