Results 191 to 200 of about 603,627 (298)

MD simulation study for nuclear matter

MD simulation study for nuclear matter
identifier:oai:t2r2.star.titech.ac.jp ...
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Built‐In Interfacial Electric Field in Hydroxyl‐Terminated MXene/COF Heterostructures for Enhanced Solid‐State Supercapacitors

Advanced Functional Materials, EarlyView.
Hydroxyl‐terminated MXene is integrated with a redox‐active covalent organic framework through electrostatic self‐assembly followed by hydrothermal treatment to construct MXene/COF heterostructures with a built‐in interfacial electric field. Termination‐controlled interfacial electronic modulation induces charge redistribution and favorable band ...
Cheru Fekadu Molla, Birhanu Bayissa Gicha, Boka Fikadu Banti, Indra Memdi Khoris, Jaebeom Lee   +4 more
wiley   +1 more source

Effect of physical properties of liquid phase by MD simulation on NaCl separation behavior during the phase transition of molten salt chloride slag. [PDF]

Sci Rep
Guo Y, Wen Y, Chen F, Zheng Y, Wang S, Yang L, Zhang M.   +6 more
europepmc   +1 more source

High Pressure Densification Investigation of Li3PS4 and Li6PS5Cl Solid Electrolytes using Combine X‐Ray Diffraction, X‐Ray Absorption Tomography and Ionic Measurement

Advanced Functional Materials, EarlyView.
We used multiple analytical techniques at the Psiché beamline, Synchrotron Soleil, and at D20 instrument in Institut Laue Langevin, to study the densification of thiophosphate solid electrolytes Li3PS4 and Li6PS5Cl. Our combined X‐ray diffraction, absorption tomography, absorption density, neutron power diffraction, and ionic conductivity analyses ...
Oskar Thompson, Ove Korjus, Adrien Fauchier‐Magnan, Clément Albin, Sergio F. Mayer, Emmanuelle Suard, Thomas Hansen, Laura Henry, Nicolas Guignot, Vittoria Pischedda, Sylvie Le Floch, Claire Villevieille   +11 more
wiley   +1 more source

Repurposing terfenadine and domperidone for inhibition of apoptotic gene association in colorectal cancer: A system pharmacology approach integrated with molecular docking, MD simulations, and post-MD simulation analysis. [PDF]

Bioinform Biol Insights
C P, S H, Kurmi SPC, Patra BR, Esther VA, Yadav CK, Biradar MS, Thapa S.   +7 more
europepmc   +1 more source

Curvature‐Tuned Friction at Electrified Ionic Liquid Interfaces

Advanced Functional Materials, EarlyView.
Graphene curvature plays a key role in friction electrotunability at single‐asperity contacts lubricated by ionic liquids. A 9 nm radius yields stronger tunability than larger radii, with distinct friction coefficients at low and high loads indicating a shift in the slippage plane.
Wei Song, Md Ashiqur Rahman, Qianlu Zheng, Nathaniel Hawthorne, James D. Batteas, Rui Qiao, Rosa M. Espinosa‐Marzal   +6 more
wiley   +1 more source

3D‐Printed Hygroscopic Polymer Networks for High‐Humidity Triboelectric Nanogenerators to Wirelessly Power Implantable Electronic Devices‐ A Conceptual Pathway

Advanced Functional Materials, EarlyView.
This work develops 3D‐printable tribopolymer networks that can enhance triboelectric performance under high humidity environments. Polar hydrophilic functional groups and incorporation of zwitterionic monomers promote bound‐water–dominated interfacial polarization thereby increasing electrical outputs.
Linguangze Zhuo, Jiawang Zeng, Qian Chen, Valentin A. Bobrin, Deepak Mishra, Anthony Chun Yin Yuen, Yixia Zhang, Cyrille Boyer, Jin Zhang   +8 more
wiley   +1 more source

Study of 1,3-Dipolar Cycloaddition Between 4-Acyl-1H-pyrrole-2,3-diones Fused at the [e]-Side with a Heterocyclic Moiety and Diphenylnitrone: A Comprehensive MEDT, Docking Approach and MD Simulation. [PDF]

Molecules
Ameur S, Kącka-Zych A, Moussa Z, Alsantali RI, Zeroual A, Alluhaibi MS, Alsimaree AA, Ahmed SA.   +7 more
europepmc   +1 more source

Structural and Chemical Engineering of Sub‐Nanochannel Membranes Toward Ion Selectivity

Advanced Functional Materials, EarlyView.
This review summarizes recent advances in structural and chemical engineering of sub‐nanochannels for ion selectivity. We first introduce fundamental ion transport mechanisms within sub‐nanochannels, followed by strategies to tune pore size, geometry, and surface functionalities, categorized into charge‐based, ion‐recognition, hydrophilic bonding, and ...
Yuyu Su, Huacheng Zhang, Tamar L. Greaves, Qi Han, Weiwei Lei, Dan Liu   +5 more
wiley   +1 more source