Results 141 to 150 of about 2,547,318 (305)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

open access: yesAdvanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray   +3 more
wiley   +1 more source

Unifying Composition and Process Design: A Heterogeneous Graph Neural Network for Discovering High‐Performance Cu Alloys

open access: yesAdvanced Science, EarlyView.
By overcoming the fixed‐path limitations of conventional machine learning, a heterogeneous graph neural network fundamentally reconstructs material data representation. Integrating variable processing sequences with intrinsic elemental features, this framework enables exploratory optimization across high‐dimensional spaces.
Jie Yin   +12 more
wiley   +1 more source

Near‐Unity Selectivity Inversion Between CO2 Electroreduction and H2 Evolution via Atomic Coordination Editing

open access: yesAdvanced Science, EarlyView.
Atomic coordination editing functions as an on/off switch that toggles single‐atom catalysts between CO2 electroreduction and hydrogen evolution. ABSTRACT Precise atomic coordination editing of single‐atom catalysts (SACs) provides an effective strategy to tune their electronic structures and catalytic selectivity. Yet, achieving near‐unity selectivity
Yukun Zhao   +11 more
wiley   +1 more source

Machine Learning‐Assisted KCl‐CaCl2‐LiCl Electrolyte Design for Low‐Temperature, High‐Performance Calcium‐Based Liquid Metal Batteries

open access: yesAdvanced Science, EarlyView.
A machine learning‐assisted framework optimizes the KCl‐CaCl2‐LiCl ternary electrolyte. The optimized 13:35:52 mol% composition enables Ca‐based liquid metal batteries to operate stably at 480 °C, with >99.5% coulombic efficiency, ultralow self‐discharge, and excellent cycling stability, advancing low‐temperature large‐scale energy storage.
Xinglin Zhou   +3 more
wiley   +1 more source

Front‐Loading Zn2+ via Lattice‐Breathing‐Enabled Early‐Stage Co‐Intercalation for Ultrastable Zn‐Ion Batteries

open access: yesAdvanced Science, EarlyView.
This study introduces In3+ into δ‐MnO2 to create a lattice breathing effect via a dynamic strain field, which establishes efficient ″ polaronic superhighways″ for charge transport. We uncover an unconventional two‐stage (Zn2+/H+ co‐insertion followed by Zn2+‐dominant) mechanism that enables reversible structural adjustment. This approach simultaneously
Haitao Li   +15 more
wiley   +1 more source

inductively-coupled plasma robustness

open access: yes
Citation: 'inductively-coupled plasma robustness' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.08492 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for ...
openaire   +1 more source

Ultra‐Radiostable Covalent Conformationally Interlocked Networks Enabling a Universal Radiometal‐Labeling Platform for Cancer Radioembolization

open access: yesAdvanced Science, EarlyView.
Conjugated poly(imide dioxime)‐based microspheres establish a radiometal coordination‐driven conformational interlocked network with ultra‐high radiostability. This platform enables low‐temperature, multi‐radionuclide labeling for SPECT/PET/MRI imaging and radionuclide therapy. Mechanistic insights from EXAFS and DFT reveal enhanced stability, while in
Xiao Xu   +10 more
wiley   +1 more source

Two‐Dimensional Conjugated Metal Organic Frameworks with Dual Metal Catalytic Active Sites Enhance POD Activity for Antibacterial Treatment

open access: yesAdvanced Science, EarlyView.
A new class of Cu, Ni bimetallic 2D cMOF (CuNi‐HHTP 2D cMOF) featuring dual catalytic sites and high delocalized electronic structure for boosting POD performance. The CuNi‐HHTP 2D‐cMOF enhances the conversion kinetics of H2O2 to ROS, which subsequently enhances antibacterial activity and accelerates the healing of oral ulcers, with macroscopic wound ...
Yixuan Lu   +9 more
wiley   +1 more source

Vanadium Cation Exchange‐Driven Reconstruction of MOF‐Derived Cobalt Hydroxide Electrodes for Electrocatalysis and Energy Storage

open access: yesAdvanced Science, EarlyView.
A room‐temperature vanadium cation exchange strategy is developed to achieve simultaneous structural reconstruction and electronic/defect modulation of ZIF‐67 on nickel foam. The resulting mesoporous V20–Co(OH)2 electrode exhibits superior OER activity with low overpotentials and enhanced lattice oxygen participation.
Yongbeen Kim, Seungwoo Han, Wonyoung Lee
wiley   +1 more source

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