Results 211 to 220 of about 88,182 (323)

Tailoring Reconstruction of Co/Cu Mixed Oxide-Derived Tandem Electrocatalysts via <i>In Situ</i> Electrochemical Dissolution-Redeposition for Enhanced Nitrate-to-Ammonia Conversion. [PDF]

open access: yesJACS Au
G Winkler ME   +12 more
europepmc   +1 more source

FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning‐guided self‐driving laboratory screened over 500 nickel‐based layered double‐hydroxide catalysts for alkaline oxygen evolution. Out of the eight metals, the robot uncovered a quaternary Ni–Fe–Cr–Co catalysts requiring only 231 mV overpotential to reach 20 mA cm−2.
Nis Fisker‐Bødker   +3 more
wiley   +1 more source

AtomicExploration of the Fluorination-Driven StructuralRearrangement of Carbon Electrocatalysts toward Efficient Oxygen ReductionReactions

open access: green
Yang Li (7082)   +11 more
openalex   +1 more source

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

open access: yesAdvanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun   +8 more
wiley   +1 more source

Accelerating Catalyst Materials Discovery With Large Artificial Intelligence Models

open access: yesAngewandte Chemie, EarlyView.
AI‐empowered catalysis research via integrated database platform, universal machine learning interatomic potentials (MLIPs), and large language models (LLMs). ABSTRACT The integration of artificial intelligence (AI) into catalysis is fundamentally reshaping the research paradigm of catalyst discovery.
Di Zhang   +7 more
wiley   +2 more sources

Highly Selective Hydrogen Peroxide Production Using an AgPd-Based Electrocatalyst with Ultralow Pd Loading. [PDF]

open access: yesACS Omega
Oliveira ES   +10 more
europepmc   +1 more source

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