Results 61 to 70 of about 17,905 (155)

Built‐In Electric Field Regulated Electron Transport Channels of FeP Supported Os for Ampere‐Level Seawater Electrolysis

Advanced Energy Materials, EarlyView.
This work presents an Os/FeP heterostructure catalyst with EMSI and successfully utilizes the BEF to further modulate electron transfer through Os‐P‐Fe channels, proving an effective approach of developing low‐cost electrocatalysts with remarkable HER activity in ampere‐level seawater electrolysis. ABSTRACT Developing cost‐effective and robust hydrogen
Qing Liu, Yukun Zhang, Zili Liu, Yu Wang, Hongdong Li, Weiping Xiao, Wenli Yu, Lingfeng Zhu, Tianyi Ma, Jun Xing, Wei Jin, Liqun Ye, Lei Wang, Zexing Wu   +13 more
wiley   +1 more source

Palladacarboxamide Capping Reagents for Carbon Isotope Labeling and Pharmaceutical Diversification

Angewandte Chemie, EarlyView.
Herein, we present a method for carbon isotope labeling of arylamides via the coupling of air‐stable palladium carboxamide complexes and boronic ester/acids. A wide variety of functionalized boronic esters and acids have been coupled with simple palladium carboxamides complexes.
Daniel V. Hoffmann, Anika Schick, Lasse Kjær, Vitus J. Enemærke, Clemens Kaussler, Jens Torp, Pablo Martínez‐Pardo, Charles S. Elmore, Troels Skrydstrup   +8 more
wiley   +2 more sources

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Formation of Gallium Monofluoride in the Coordination Sphere of Nickel

Angewandte Chemie, EarlyView.
The elusive gas‐phase species gallium monofluoride forms selectively in the coordination sphere of a nickel(II) centre as a product of C(sp3)–F bond activation, with a weakly coordinating anion as the fluorine source. The herein reported gallium monofluoride ligand acts as a very strong σ‐donor ligand at nickel and serves as a fluorine donor towards ...
Johannes Stephan, Samia Kahlal, Jean‐Yves Saillard, Marvin Mühlau, Lisa Gremmel, Christian Gemel, Roland A. Fischer   +6 more
wiley   +2 more sources

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

Inversed Cation Size Effects on Methanol Formations From CO2 Electroreduction by Immobilized Cobalt Phthalocyanine

Angewandte Chemie, EarlyView.
Multiscale simulations reveal an inversed cation size effect (Li+ > Na+ > K+ > Cs+) in immobilized cobalt phthalocyanine ‐catalyzed CO2 reduction to methanol. Smaller cations like Li+ effectively stabilize the rate‐limiting proton‐transfer transition state through intimate coordination, whereas their disruption of the local hydrogen‐bond network ...
Ke Ye, Min Hu, Guozhen Zhang, Mårten S. G. Ahlquist   +3 more
wiley   +2 more sources

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

CO2‐Induced Reverse Lattice Oxygen Spillover on Pt/CeO2 Enables Sulfur‐Resistant Dry Reforming of Methane

Angewandte Chemie, EarlyView.
A critical step, dry reforming of methane (DRM) converts biogas into useful syngas. Yet trace H2S in biogas rapidly poisons DRM catalysts, limiting practical use. We developed a robust Pt/CeO2 catalyst sustaining DRM activity via CO2‐induced reverse lattice oxygen spillover in H2S‐rich environments.
Jun Liu, Jiang Deng, Jiajia Zheng, Mohsen Beladi Mousavi, Chunning Sun, Jin Li, Xin Chen, Yongjie Shen, Haotian Huang, Ming Xie, Emiliano Cortés, Dengsong Zhang   +11 more
wiley   +2 more sources

Discovery and Biosynthesis of the Novel Glycotetrapeptide Antibiotic Biffamycin A

Angewandte Chemie, EarlyView.
Genetic de‐regulation of a silent biosynthetic pathway allowed isolation and characterisation of a novel glycopeptide antibiotic named biffamycin A, which harbours unprecedented 5‐chloro‐4‐methoxy tryptophan and 3R‐hydroxy(α‐D‐mannoysl)‐D‐lysine moieties and is bioactive against MRSA and VRSA.
Michael W. Brigham, Edward S. Hems, Daniel C. L. Van, Justin E. Clarke, Sergey Nepogodiev, Julius S. P. Adamson, Christian Bassi, Michael E. Webb, Glyn R. Hemsworth, Orde Q. Munro, Barrie Wilkinson, Ryan F. Seipke   +11 more
wiley   +2 more sources

Systematic Experimental Study on Quantum Sieving of Hydrogen Isotopes in Metal-Amide-Imidazolate Frameworks with narrow 1-D Channels. [PDF]

Chemphyschem, 2019
Mondal SS, Kreuzer A, Behrens K, Schütz G, Holdt HJ, Hirscher M.   +5 more
europepmc   +1 more source