Results 171 to 180 of about 49,998 (296)

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

Advanced 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, Enzo Raffaele Moretti, Jin Hyun Chang, Tejs Vegge   +3 more
wiley   +1 more source

Catalysis AI Agent Guides Discovering the Universal Design Principle of Cu‐Based Single‐Atom Alloy Catalysts for CO2 Electroreduction

Angewandte Chemie, EarlyView.
Artificial intelligence (AI) enables the systematic analysis and comparative evaluation of experimental and theoretical data, optimizes the catalytic reaction research workflow, and accelerates the discovery of high‐performance electrocatalysts. ABSTRACT Copper (Cu)‐based single‐atom alloys (SAAs) represent a promising strategy for optimizing the ...
Xuning Wang, Zhong Li, Di Zhang, Hao Li, Haoxiang Xu, Daojian Cheng   +5 more
wiley   +2 more sources

Active-Site Interactions in a Synergistic Porous Structured Fe Nanoparticle-Carbon Electrocatalyst for Enhanced Redox Reactions in Alkaline Zn-Air Batteries. [PDF]

Small Sci
Santhosh Kumar R, Mannu P, Srinivasadesikan V, Bhuvanendran N, Dong CL, Jin Yoo D.   +5 more
europepmc   +1 more source

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

Advanced 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, Tong Wu, Baian Chen, Zikang Li, Qiuyang Lu, Lu Lu, Hon Ho Wong, Cheuk Hei Chan, Bolong Huang   +8 more
wiley   +1 more source

Synergistic Effect of Nickel and Cobalt Nanoparticles Anchored on Boron-Doped Reduced Graphene Oxide for Enhanced Alkaline Hydrogen Evolution Reaction. [PDF]

ACS Omega
Arasan N, Akkurt F.
europepmc   +1 more source

Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows

Advanced Intelligent Systems, EarlyView.
This study provides an introduction to Bayesian optimisation targeted for experimentalists. It explains core concepts, surrogate modelling, and acquisition strategies, and addresses common real‐world challenges such as noise, constraints, mixed variables, scalability, and automation.
Chuan He, Martin Singull, T. Jesper Jacobsson   +2 more
wiley   +1 more source

Accelerated Discovery‐to‐Unveiling of High‐Performance and Affordable Ammonia Electrode Process by Human–Machine Collaboration Framework

Angewandte Chemie, EarlyView.
By employing dimensionally reduced reaction descriptors, a human–machine collaboration framework for efficient electrochemical nitrate reduction to NH3 electrocatalysts screening is established and drastically shorten the discovery timeframe. A new kinetic model is established in combination with a rotating ring‐disk electrode, unveiling the pivotal ...
Yingying Cheng, Masaki Takeguchi, Abraham Castro Garcia, Ken Sakaushi   +3 more
wiley   +2 more sources

The Intricate Sabatier Optimality of Anion Electroreduction and Its Consequences for Nitrate Reduction

Angewandte Chemie, EarlyView.
The Sabatier principle and volcano plots declare that optimal electrocatalysis is found in the middle between strong and weak binding of key intermediates. However, it is shown here that during anion electroreduction, strong and weak binding are potential‐dependent concepts and volcanoes are mobile.
Mattia Salomone, Ioannis Katsounaros, Federico Calle‐Vallejo   +2 more
wiley   +2 more sources

Correction: Huang et al. Constructing Molybdenum Phosphide@Cobalt Phosphide Heterostructure Nanoarrays on Nickel Foam as a Bifunctional Electrocatalyst for Enhanced Overall Water Splitting. <i>Molecules</i> 2023, <i>28</i>, 3647. [PDF]

Molecules
Huang Y, Chen H, Zhang B.
europepmc   +1 more source

Photocatalytic Transfer Hydrogenation Using Plastic Hydrolysates as Hydrogen Donor

Angewandte Chemie, EarlyView.
Plastic waste is transformed into functional amines via solar‐driven transfer hydrogenation. Soluble monomers from acid hydrolysis of waste polymers serve as a hydrogen (electron/proton)donors in the selective reduction of nitroarenes using a visible light active photocatalyst consisting of cobalt promoted molybdenum disulfide integrated in cyanamide ...
Papa K. Kwarteng, Afreen H. Naceruddin, Erwin Reisner   +2 more
wiley   +2 more sources