Results 281 to 290 of about 184,587 (385)

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

Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors

Angewandte Chemie, EarlyView.
A universal catalyst design framework integrating weighted atom‐centered symmetry function (wACSF) descriptors with machine learning accurately predicts adsorption energies for 2e− water oxidation reaction. Microkinetic modeling and experimental validation confirm the framework's universality, establishing a powerful paradigm for rational ...
Zhijian Liu, Yan Liu, Yuqi Zhang, Yeyu Deng, Zhong Zheng, Ruth Knibbe, Tianxiang Gao, Mingzhe Li, Ziye Wang, Bingqian Zhang, Xue Jia, Di Zhang, Heng Liu, Xuqiang Shao, Zhengyang Gao, Li Wei, Hao Li, Weijie Yang   +17 more
wiley   +2 more sources

Durable acidic water oxidation ruthenium based electrocatalyst by fluorination induced symmetry breaking. [PDF]

Nat Commun
Jin M, Chen J, Han X, Guo Y, Liu Y, Wang J, Li J, Yuan Y, Jin H, Wang S, Huang X.   +10 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

Toward Industrial Electrosynthesis of Ethylene: Energy‐Efficient and Stable Acetylene Semi‐Hydrogenation on a Copper Phosphide/MXene Electrocatalyst

Angewandte Chemie, EarlyView.
Cu3P nanoparticles anchored on MXene via Ti─O─P bonds exhibit enhanced stability and resist agglomeration during the electrochemical semi‐hydrogenation of C2H2 to C2H4. Ti3C2/Cu3P achieves a record energy efficiency of 23.0% at 0.2 A cm−2 and stable operation in a 4 cm2 MEA for over 100 h at 1.0 A.
Zeliang Wu, Qihui Guan, Tao Wang, Dongfang Li, Ming Lei, Wei Hong, Shixia Chen, Shijian Wang, Guoxiu Wang, Jun Wang   +9 more
wiley   +2 more sources

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

Combining ToF‐SIMS and Multivariate Analysis to Resolve Active Sites on Ni‐Based HER Catalysts

Angewandte Chemie, EarlyView.
Time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), combined with principal component analysis (PCA) and multivariate curve resolution (MCR), disentangles ultrathin mixtures of Ni, NiO, and Ni(OH)2 on model Ni electrodes. By revealing a hydroxide‐specific ion marker linked to hydrogen evolution reaction (HER) activity, the method offers a new ...
Matjaž Finšgar, Katja Andrina Varda, Dzevad K. Kozlica, Matej Huš, Milena Martins, Dušan Strmčnik   +5 more
wiley   +2 more sources

Nanocrystalline Ordered Mesoporous Co(OH)₂ and Co₃O₄ Thin Films: Oxygen Evolution Reaction Activity from a Structural Properties Perspective. [PDF]

Small Sci
Wu Q, Lauterbach S, Dietz C, Alkemper A, Wagner LQ, Schlaad H, Hofmann JP, Einert M.   +7 more
europepmc   +1 more source

Recent Advances in the Design and Structure-Activity Relationships of Oxygen Evolution Catalysts for Alkaline Water Electrolysis. [PDF]

Molecules
Wang L, Liu X, Lai C, Liu J, Wang W, Wang X, Bo X, Cheng T, Li J, Wang Z, Lu X.   +10 more
europepmc   +1 more source

Spin-Promotion Effect to Oxygen Evolution Reaction. [PDF]

Acc Chem Res
Yu A, Wu T, Ren X, Xu ZJ.
europepmc   +1 more source