Results 161 to 170 of about 9,130,676 (246)

Graphene Oxide-Modified Hydroxy-Terminated Polybutadiene Liner for Suppressing Plasticizer Migration: Molecular Dynamics Simulation and Experimental Study. [PDF]

Polymers (Basel)
Feng J, Cheng W, Xu L, Meng Y, Liu C, Ding T, Hu Y, Zhou J, Chen F, Lu Z.   +9 more
europepmc   +1 more source

Proximity‐Tuned Magnetic and Transport Anomalies in All‐Epitaxial Fe5−xGeTe2/WSe2 Van der Waals Heterostructures

Advanced Functional Materials, EarlyView.
All‐epitaxial and scalable ferromagnetic/non‐magnetic Fe5−xGeTe2/WSe2 van der Waals (vdW) heterostructures exhibiting room‐temperature magnetism and perpendicular magnetic anisotropy (PMA) are realized. The system displays proximity‐tuned magnetic anisotropy, thickness‐dependent unconventional Hall effects, and temperature‐dependent sign reversal of ...
Hua Lv, Tauqir Shinwari, Kacho Imtiyaz Ali Khan, Jens Herfort, Chen Chen, Joan M. Redwing, Mehak Loyal, Gerhard Jakob, Mathias Kläui, Achim Trampert, Bernat Mundet, Belén Ballesteros, Manfred Ramsteiner, Roman Engel‐Herbert, Michael Hanke, João Marcelo J. Lopes   +15 more
wiley   +1 more source

Mesoporous Silica with Different Channel Widths for Cs⁺ Adsorption: A Molecular Dynamics Simulation Study. [PDF]

Materials (Basel)
Wang R, Zhang W, Ye J, Wang X, Zhou X.
europepmc   +1 more source

Exceptional Electro‐Optic Coefficient Unlocked via Polarization Swaying in KNbO3 Thin Films

Advanced Functional Materials, EarlyView.
We present the largest reported electro‐optic response in any material to date, guided by a new design principle that exploits ultralow coercive field polarization swaying enabled by low‐symmetry ferroelectric phases in monoclinic KNbO3 thin films for energy‐efficient classical and quantum photonic integrated circuits. ABSTRACT The electro‐optic effect
Sankalpa Hazra, Aiden Ross, Brynn Brower, Tobias Schwaigert, Ian Reed Philippi, Albert Suceava, Himirkanti Sarkar, Muhammed Aminul Haque Chowdhury, Suchismita Sarker, Darrell G. Schlom, Long‐Qing Chen, Venkatraman Gopalan   +11 more
wiley   +1 more source

Exploring the mechanism of Shengmai San in treating lung adenocarcinoma based on bioinformatics and molecular dynamics simulation. [PDF]

Medicine (Baltimore)
Zhou X, Wu D, Zhang X, Zhang X.
europepmc   +1 more source

Endosomal Escape of siRNA Polyplexes: A Molecular Dynamics Perspective on Underlying Mechanisms

Advanced Functional Materials, EarlyView.
Molecular dynamics simulations reveal distinct endosomal escape mechanisms of siRNA nanoparticles, ranging from electrostatic membrane attachment to hydrophobic membrane fusion. Hydrophobic residues and anionic endosomal lipids emerge as key determinants of membrane disruption, linking molecular interactions to experimental delivery performance and ...
Katharina M. Steinegger, Min Jiang, Florian Belger, Fabian Link, Benjamin Winkeljann, Olivia M. Merkel   +5 more
wiley   +1 more source

Programming Neuromorphic Plasticity Through Ionic and Electronic Coupling in Organic Electrochemical Transistors

Advanced Functional Materials, EarlyView.
Neuromorphic plasticity in OECTs is governed by the post‐stimulus evolution of coupled ionic and electronic states. Semiconductor chemistry and morphology, electrolyte composition and interfaces, and device architecture regulate ion injection, transport, confinement, and release, shifting responses from rapidly relaxing STP to metastable memory and ...
Inho Lee, Hyoik Jang, Ji Hwan Kim, Jonghyun Won, Namhee Kim, Wonseok Shin, Giwon Lee, Eunho Lee, Daegun Kim, Sungjun Park   +9 more
wiley   +1 more source

Molecular dynamics simulation in traditional Chinese medicine research: from molecular mechanisms to multiscale validation. [PDF]

Front Chem
Zhou X, Du H, Yang H, Hu Y, Wang C, Zhang M, Ding X, Wang P.   +7 more
europepmc   +1 more source

Molecular Bridges for 2D Nanomaterials

Advanced Functional Materials, EarlyView.
Molecular cross‐linking provides a versatile strategy to engineer interfaces in 2D materials. By tuning the linker backbone, binding mode, and interflake spacing, molecular bridges can regulate charge transport, mechanical integrity, chemical functionality, and processing.
Yudhajit Bhattacharjee, Kevin Synnatschke, Andreas Fery, Hendrik Schlicke   +3 more
wiley   +1 more source

Predicting Oncogenic Mutants of Epidermal Growth Factor Receptor in Lung Cancer by Molecular Dynamics Simulation with Machine Learning. [PDF]

ACS Omega
Anyanwu VO, Spiriti J, Wong CF.
europepmc   +1 more source