Results 171 to 180 of about 65,275 (275)

Covalent Organic Framework–Carbon Nanotube Core–Shell Nanohybrids for Enhanced Catalytic Site Utilization of Molecular Catalysts in CO2 Electroreduction

Angewandte Chemie, EarlyView.
Covalent organic framework–carbon nanotube (COF–CNT) core–shell nanohybrids are developed as an efficient platform to enhance the site utilization of molecular catalysts for electrochemical CO2 reduction. The well‐defined nanostructure promotes catalytic site accessibility, achieving CO turnover frequencies among the highest reported to date.
Liang Yao, Andrés Rodríguez‐Camargo, Roman Guntermann, Fabian Heck, Samuel Van Gele, Hugo Vignolo‐González, Viola Duppel, Thomas Bein, Bettina V. Lotsch   +8 more
wiley   +2 more sources

A Biopolymer System Based on Chitosan and an Anisotropic Network of Nickel Fibers in the Hydrogen Evolution Reaction. [PDF]

Molecules
Nizameeva GR, Lebedeva EM, Vorobieva VV, Soloviev EA, Sarimov RM, Nizameev IR.   +5 more
europepmc   +1 more source

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

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

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

Accelerating Catalyst Materials Discovery With Large Artificial Intelligence Models

Angewandte 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, Yuanzheng Chen, Chuanyu Liu, Yan Liu, Hongliang Xin, Jiayu Peng, Pengfei Ou, Hao Li   +7 more
wiley   +2 more sources

Dual-ligand surface engineering of Ni-based nanostructures for efficient urea electrooxidation <i>via</i> Ni³⁺ activation and charge-transfer modulation. [PDF]

RSC Adv
Yifei W, Jiayin L, An L, Yanxian J, Wei X, Dan C, Hua Y, Thitikornpong W, Binbin Y.   +8 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