Results 181 to 190 of about 320,805 (264)

Multi-scale theoretical modeling with molecular simulation framework for fly ash-based high-performance concrete. [PDF]

Sci Rep
Vairagade VS.
europepmc   +1 more source

Electro‐Steric Ion Confinement in Polyelectrolyte Networks for Robust Nonvolatile Artificial Synapse

Advanced Functional Materials, EarlyView.
Polyelectrolyte stoichiometry governs ion transport and retention in electrolyte‐gated synaptic transistors. A PSS‐rich network creates electro‐steric ion confinement that suppresses ion back‐diffusion and stabilizes channel doping, enabling robust nonvolatile synaptic memory, linear weight updates, and low‐energy operation.
Donghwa Lee, Jinbo Kim, Myeongjin An, Jisoo Park, Junho Sung, Eunsung Hwang, Suhwan Seok, Seong‐Min Bak, Jeonghun Kim, Eunho Lee   +9 more
wiley   +1 more source

Molecular Simulation Investigation into the Construction of Nanopore Structures in Coal and the Occurrence Mechanism of Gas. [PDF]

ACS Omega
Han Q, Gao T, Zhang X.
europepmc   +1 more source

Blood Biomarkers and Surface‐Enhanced Raman Spectroscopy for Gout: A Comprehensive Review

Advanced Functional Materials, EarlyView.
Schematic illustrating gout disease progression from asymptomatic hyperuricemia to chronic tophaceous disease, highlighting the limitations of conventional imaging and biochemical diagnostics and the potential of engineered SERS platforms for ultrasensitive blood‐based detection of urate‐related biomarkers across disease stages, with the color gradient
Isuri Perera, Chiranjeevi Kanike, Appurva Tiwari, Hongyan Wu, Larry D. Unsworth, Ben Bin Xu, Xuehua Zhang   +6 more
wiley   +1 more source

Exploring the molecular link between arecoline exposure and prostate cancer-related alterations: integrative evidence from network toxicology, single-cell transcriptomics, molecular simulation, and experimental validation. [PDF]

Front Pharmacol
Zhu X, Liu H, Zeng Z, Zou L, Zhou Y, Zhou T.   +5 more
europepmc   +1 more source

Ultrasmall High‐Entropy Materials: Nanoscale Effects, Synthesis, and Mechanistic Insights

Advanced Functional Materials, EarlyView.
This review article focuses on sub‐10 nm high‐entropy materials that combine nanoscale design with complex compositions for next‐generation applications. ABSTRACT Ultrasmall high‐entropy nanomaterials (USHENMs, <10 nm) merge multicomponent chemistry with size‐dependent effects, forming a distinct class of materials with unprecedented properties.
Yueyue He, Wenbo Wang, Simon Schweidler, Yanjiao Ma, Ben Breitung, Torsten Brezesinski   +5 more
wiley   +1 more source

Reversible molecular simulation for training classical and machine-learning force fields. [PDF]

Proc Natl Acad Sci U S A
Greener JG.
europepmc   +1 more source

A Dual‐Functional Electrolyte Additive for Highly Reversible Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
This study introduces tetrabutylammonium bromide (TBAB) as a dual‐function additive for aqueous zinc‐ion batteries. TBAB disrupts the hydrogen‐bond network of water while TBA+ adsorbs on Zn to improve interfacial wettability and regulate Zn2+ flux, resulting in suppressed dendrite growth and parasitic reactions. This synergy extended the lifespan of Zn|
Shirui Zhang, Shixun Wang, Jianen Zhang, Jun Liu, Jinfeng Xie, Wentao Tang, Li Guan, He Huang, Qi Xue, Chunyi Zhi   +9 more
wiley   +1 more source

Machine Learning Approaches in Soft Matter Molecular Simulation and Materials Characterization: Challenges and Perspectives. [PDF]

Chempluschem
Vergadou N, Constantoudis V.
europepmc   +1 more source

Trace Sulfur‐Doping Boosts NiCo Heterostructured Catalyst for Selective Glycerol‐to‐Formic Acid Electroreforming

Advanced Functional Materials, EarlyView.
A sulfur‐doped Ni–Co heterostructured catalyst is rationally designed to regulate interfacial electronic and adsorption properties for selective glycerol electrooxidation. The synergistic Ni–Co active sites promote hydroxide activation and glycerol adsorption, enabling efficient formic acid production and durable hydrogen generation under continuous ...
Lingqin Shen, Jianchuan Jin, Auttaphon Chachvalvutikul, Ouardia Akdim, Graham J. Hutchings   +4 more
wiley   +1 more source