Results 161 to 170 of about 66,037 (288)

Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion

Advanced Intelligent Discovery, EarlyView.
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley   +1 more source

Unifying Scaling Relations and Multiple Reaction Mechanisms for Screening Transition Metal‐Doped Co3O4 for Oxygen Evolution Reaction

Angewandte Chemie, EarlyView.
Doped Co3O4 climbs a mechanistic volcano: transition‐metal substitution reshapes the OER activity landscape, while multiple competing reaction mechanisms govern the volcano trends across different dopants. ABSTRACT Accelerating the discovery of oxygen‐evolution reaction (OER) catalysts requires high‐throughput screening strategies combining descriptor ...
Kapil Dhaka, Hatem M. A. Amin, Davide Beschi, Dana Schellenburg, Benjamin Mockenhaupt, Stephan Barcikowski, Stephan Schulz, Kai S. Exner   +7 more
wiley   +2 more sources

Efficient water electrolysis with Ce-WO₃@NiCo bifunctional catalysts. [PDF]

RSC Adv
Qin Y, Ding M, Ji W, Zhang Y, Zhao G.
europepmc   +1 more source

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

Multi-Metallic Organic Framework-Based Composites as Electrocatalysts. [PDF]

Small
Mazraeh M, Dhakshinamoorthy A, Morsali A, Garcia H.   +3 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

RETRACTED: Lobo et al. Hydrogen Uptake and Release in Carbon Nanotube Electrocatalysts. <i>Nanomaterials</i> 2021, <i>11</i>, 975. [PDF]

Nanomaterials (Basel)
Lobo R, Ribeiro J, Inok 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