Results 161 to 170 of about 31,150 (293)

Controlled Hydrogen Delivery by Single‐Atom Ru Accelerates Electrocatalytic Ammonia Synthesis

Angewandte Chemie, EarlyView.
Single Ru atoms anchored on Co3O4 guide reactants along a hydrogen‐rich surface pathway, enabling efficient and selective conversion of NO to NH3. By linking atomic design to catalytic performance, this strategy clarifies the reaction mechanism and offers a versatile platform for engineering oxide catalysts for electrochemical ammonia synthesis ...
Zheng Liu, Xingchi Li, Zhenggang Xue, Jiayi Liu, Zhenlin Wang, Evangelina Pensa, Donglin Han, Jialing Song, Haiyan Duan, Chaoqi Zhang, Lupeng Han, Ming Xie, Yongjie Shen, Wenqiang Qu, Emiliano Cortes, Dengsong Zhang   +15 more
wiley   +2 more sources

Mesoporous Anti-Perovskite CuNi₃N for Sustainable Formate Electrosynthesis from Complete Electrooxidation of Biomass Glucose. [PDF]

Angew Chem Int Ed Engl
Liu P, Tang D, Han S, Qiao ZA, Liu B.
europepmc   +1 more source

From Word2Vec to Transformers: Text‐Derived Composition Embeddings for Filtering Combinatorial Electrocatalysts

Advanced Intelligent Discovery, EarlyView.
With the downstream filter held fixed, text‐derived composition representations produce distinct screening outcomes across 14 electrocatalyst libraries. Embedding model and composition encoding control the trade‐off between candidate reduction and preservation of the best measured current.
Lei Zhang, Markus Stricker
wiley   +1 more source

Enantioselective C-H Activations by Metallaelectro-Catalysis. [PDF]

Acc Chem Res
Peters SE, Trienes S, Li Y, Ackermann L.
europepmc   +1 more source

The utilization of ions in seawater for electrocatalysis

Electrocatalysis in water offers a sustainable pathway for synthesizing hydrogen and hydrocarbons, leveraging water as a source of protons and hydroxides.
Jiang, Y., Regenauer-Lieb, K., Huang, L., Zheng, Y., Bao, D., Qiao, S.-Z.   +5 more
core   +1 more source

Particle Swarm Optimization as a Noise‐Tolerant Strategy for High‐Entropy Alloy Research

Advanced Intelligent Discovery, EarlyView.
A customized particle swarm optimization algorithm is benchmarked against batch Bayesian optimization across four high‐entropy alloy oxygen‐reduction landscapes. While both methods locate the global optimum comparably under noise‐free conditions, Bayesian optimization’s surrogate model tends to overfit noisy data.
Ahmad Tirmidzi, Matthias Arenz, Vladislav A. Mints   +2 more
wiley   +1 more source

From Atoms to Reactors: A Critical Review of a Decade of Machine Learning in Heterogeneous Catalysis (2017–2026)

Angewandte Chemie, EarlyView.
Machine learning has digitalized heterogeneous catalysis from the top of the length scale downward: prediction at the atom and the material is now mature, yet the reactor and the process remain the open frontier. This critical review traces a decade of progress across the full catalytic value chain and asks where the next decade of impact must be won ...
Rafael Larraz, Avelino Corma
wiley   +2 more sources

Correction to "Pyrite High-Entropy Sulfides for Bifunctional Oxygen Electrocatalysis and High-Performance Zinc-Air Batteries". [PDF]

ACS Omega
Erdil T, Uysal N, Yüceer ZI, Asci C, Ozgur C, Geyikci U, Toparli C.   +6 more
europepmc   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

Advanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica, Kostya S. Novoselov, Seongmin Kim, Yousung Jung, Silvana Botti, Miguel A. L. Marques, Tigany Zarrouk, Miguel A. Caro, Sanggyu Chong, Michele Ceriotti, Marivi Fernandez‐Serra, Sara Navarro‐Rodriguez, Aakash Ashok Naik, Janine George, Ömer Hasan Omar, Victor Trinquet, Gian‐Marco Rignanese, Andrey Ustyuzhanin, Sonia Conesa‐Boj, Juan Rojo, Minh‐Tuan Dau, Simon M.‐M. Dubois, Jean‐Christophe Charlier, Jose H. Garcia, Romain Gautier, Rachid Laref, Junfeng Qiao, Giovanni Pizzi, Nicola Marzari, Camilla Coletti, Antonio Rossi, Jan‐Lucas Uslu, Chiara Zanardi, Vincenzo Palermo, Wide Hogenhout, Natalia Konchakova, Peter Klein, Tejs Vegge, Stephan Roche   +38 more
wiley   +1 more source

Interfacial Water‐Networks Regulate the Anodic Stability of Carbon Electrodes

Angewandte Chemie, EarlyView.
The hydrogen‐bonding networks of interfacial water serve as active stability descriptors for carbon anodes: disrupted water‐networks accelerate anodic carbon corrosion, whereas strongly hydrogen‐bonded networks suppress it. This principle enables extension of the stable potential window of carbon electrodes through ionomer‐defined interfaces, as ...
Junsic Cho, David Hernández‐Castillo, Jinjong Kim, Tomohiko Utsunomiya, Haesol Kim, Taejung Lim, Young Yong Kim, Hyo Sang Jeon, Hyung‐Suk Oh, Yu Katayama, Sang Hoon Joo, Kai S. Exner, Chang Hyuck Choi   +12 more
wiley   +2 more sources