Results 171 to 180 of about 5,663 (278)

Ether‐Based Electrolytes and the Solvation Structure in Sodium Ion Batteries

Advanced Energy Materials, EarlyView.
Ether electrolytes enable high‐performance sodium‐ion batteries through their unique physicochemical properties, particularly distinctive solvation structures and co‐intercalation behavior. However, the localized solvation structure and its dynamic evolution during electrochemical processes remain a “black box”.
Jiaxin Ding, John T. S. Irvine
wiley   +1 more source

Insights into the Degradation Mechanism of Aqueous LiMn2O4–Cathode Interfaces by Computational Vibrational Spectroscopy

Angewandte Chemie, EarlyView.
LiMn2O4${\rm LiMn}_2{\rm O}_4$ is of high interest for sustainable energy storage and conversion. Its mixed‐valence Mn3+${\rm Mn}^{3+}$/Mn4+${\text{Mn}}^{4+}$ structure drives site‐specific behavior at aqueous interfaces, featuring proton‐generating Mn4+${\text{Mn}}^{4+}$ centers and electron‐rich Mn3+${\rm Mn}^{3+}$ sites that render the surrounding ...
K. Nikolas Lausch, Redouan El Haouari, Philipp Schienbein, Jörg Behler   +3 more
wiley   +2 more sources

Advancements in the Application of CVD Diamond Detectors for Space Radiation Monitoring. [PDF]

Nanomaterials (Basel)
Meng Q, Shen G, Yang Z, Hou D, Zhang H, Quan Z, Sun Y.   +6 more
europepmc   +1 more source

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

Site‐Selective Anion‐Cation Regulation of Sulfide Electrolyte Enables Low‐Pressure Dendrite‐Suppressed All‐Solid‐State Lithium Metal Batteries

Angewandte Chemie, EarlyView.
Site‐selective Al/F/Cl regulation couples sulfide‐framework stabilization with favorable interphase chemistry in argyrodite Li6PS5Cl. Al incorporation reinforces the redox‐sensitive tetrahedral framework, while F/Cl regulation promotes Li+ transport and guides the formation of a LiF/LiCl‐rich passivation interphase.
Xinxin Zhu, Xianji Qiao, Ning Qin, Zhiheng Li, Yanqun Lv, Jun Lu, Zaiping Guo   +6 more
wiley   +2 more sources

Neutron reflectometry instrumentation at the ISIS source: current state. [PDF]

J Appl Crystallogr
Campana M, Caruana A, Clifton L, Hall S, Hughes A, Kinane C, Skoda M, Tomchuk O, Webster J.   +8 more
europepmc   +1 more source

Carburization Kinetics of Zircalloy-4 and Its Implication for Small Modular Reactor Performance. [PDF]

Materials (Basel), 2022
Kardoulaki E, Abdul-Jabbar N, Byler D, Hassan MM, Mann S, Coons T, White J.   +6 more
europepmc   +1 more source

Autonomous AI‐Driven Design for Skin Product Formulations

Advanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang, Yongrui Xiao, Chunlin Chen, Dimitrios Tsaoulidis, Kai Yang, Tao Chen   +5 more
wiley   +1 more source

PCN‐700: A Model Platform for Crystallographic Probing of Coordination Behavior in Metal–Organic Frameworks

Angewandte Chemie, EarlyView.
Linker installation in PCN‐700 provides a unique platform for precisely modulating coordination environments within a crystalline framework. By enabling controlled incorporation of diverse linkers while maintaining structural integrity, PCN‐700 offers new opportunities to unravel the fundamental principles governing coordination chemistry, including ...
Zongsu Han, Jiatong Huo, Hong‐Cai Zhou
wiley   +2 more sources

From Data to Discovery: Machine Learning–Enabled Intelligent Characterization of Two‐Dimensional Materials

Advanced Intelligent Discovery, EarlyView.
Machine learning serves as a central engine for the intelligent characterization of two‐dimensional materials by integrating multimodal techniques, including optical microscopy, spectroscopy, electron microscopy, and scanning probe microscopy (SPM). This unified framework enables automated, high‐throughput, and quantitative extraction of structural ...
Zhi‐Long Cao, Jia‐Xu Yan
wiley   +1 more source