Results 181 to 190 of about 1,371,077 (290)

Structural basis for asymmetric bis-intercalator targeting of DNA triplex junctions enabling dual inhibition of topoisomerase I and oncogene transcription. [PDF]

open access: yesNucleic Acids Res
Wang SC   +11 more
europepmc   +1 more source

Degradation Pathways of Silicon‐Based Anodes in Lithium‐Ion Batteries

open access: yesAdvanced Energy Materials, EarlyView.
Silicon‐based anodes undergo degradation through five primary pathways: (1) mechanical and structural deterioration of the active material, (2) loss of electrode integrity and electrical contact, (3) mechanical instability of the solid electrolyte interphase (SEI), characterized by repetitive fracture and deformation, (4) chemical instability of the ...
Yoon Jeong Choi   +3 more
wiley   +1 more source

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes Through Deep Learning‐Assisted FIB‐SEM Characterization, Manufacturing and Electrochemical Modeling

open access: yesAdvanced Energy Materials, EarlyView.
A combination of discrete and finite element method models for the current collector deformation and electrochemical performance analysis, respectively. The models are calibrated and validated with electrochemical and imaging data of hard carbon electrodes. These electrodes were manufactured with different parameters (slurry solid contents of 35 and 40
Soorya Saravanan   +12 more
wiley   +1 more source

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen   +5 more
wiley   +1 more source

FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction

open access: yesAdvanced 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   +3 more
wiley   +1 more source

Solvent‐Induced Structural Modulation in Nanoscale Covalent Organic Frameworks Enables High‐Performance NO2 Sensing

open access: yesAngewandte Chemie, EarlyView.
Solvent intercalation disrupts the stacking order of protonated porphyrin‐based 2D COF nanoparticles, resulting in a less compactly packed structure with increased accessibility of porphyrin sites. This structural modulation leads to significantly enhanced chemiresistive NO2 sensing performance.
Yu Pan   +4 more
wiley   +2 more sources

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