Results 171 to 180 of about 979,411 (289)

Deciphering Small Molecule Diffusion Parameters Across Light Responsive Polymersome Membranes

Advanced Functional Materials, EarlyView.
Light‐responsive polymersomes bearing donor–acceptor Stenhouse adducts (DASAs) enable programmable control over small‐molecule transport across synthetic membranes. By systematically varying DASA density, an optimal functionalization regime is identified that maximizes light‐gated permeability.
Farzina Matubbar, Beyzanur Kaya, Buse Ipek, Tenzin Dorjee, Shoghik Hakobyan, Mohamed Chami, Julien E. Gautrot, Omar Rifaie‐Graham   +7 more
wiley   +1 more source

Unveiling a New 2D Semiconductor: Biphenylene-Based InN

ACS Omega
José A. S. Laranjeira, Nicolas Martins, Pablo A. Denis, Julio Sambrano   +3 more
doaj   +1 more source

Functionalized MoS₂ nanosheets as high-affinity nanocarriers for gemcitabine: a molecular simulation study. [PDF]

Sci Rep
Najafi F, Farzad F.
europepmc   +1 more source

Molecular dynamics simulations

Molecular dynamics simulations
identifier:oai:t2r2.star.titech.ac.jp ...
openaire  

Scalable Polyelectrolyte Complex‐Based Sorbent With Hourly Sorption−Desorption Cycles for Multicyclic Atmospheric Water Harvesting in Arid Environments

Advanced Functional Materials, EarlyView.
A polyelectrolyte complex‐based sorbent is produced by scalable, environmentally benign aqueous phase inversion. Its porous, LiCl‐ and GO‐integrated architecture enables hourly adsorption−desorption cycles at low relative humidity (RH < 30%). A large‐scale prototype achieves multicyclic, solar‐driven atmospheric water harvesting of 1.37 L kg−1 day−1 ...
Seung‐Hwan Oh, Incheol Heo, Won Cheol Yoo, Soo‐Hyung Choi   +3 more
wiley   +1 more source

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

Sci Rep
Vairagade VS.
europepmc   +1 more source

Liquid Phase Transmission Electron Microscopy: A Window into the Early Stages of Complex Material Formation

Advanced Functional Materials, EarlyView.
Liquid‐phase transmission electron microscopy enables direct observation of nucleation and growth processes in solution. This review is dedicated to the remembrance of Helmut Cölfen and highlights recent studies on complex materials—oxides, biominerals, organic–inorganic crystals—which were central to his research activity. It summarizes key milestones,
Charles Sidhoum, Vinavadini Ramnarain, Nathaly Ortiz Peña, Dris Ihiawakrim, Clément Sanchez, Ovidiu Ersen   +5 more
wiley   +1 more source

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP4 Monolayer

ACS Physical Chemistry Au
José A. S. Laranjeira, Nicolas Martins, Pablo A. Denis, Julio Sambrano   +3 more
doaj   +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

2D Magnetic and Topological Quantum Materials and Devices for Ultralow Power Spintronics

Advanced Functional Materials, EarlyView.
2D magnets and topological quantum materials enable ultralow‐power spintronics by combining robust magnetic order with symmetry‐protected, Berry‐curvature‐driven transport. Fundamentals of 2D anisotropy and spin‐orbit‐coupling induced band inversion are linked to scalable growth and vdW stacking.
Brahmdutta Dixit, Yifei Yang, Shawn Li, Yu‐Chia Chen, Qi Jia, Jian‐Ping Wang   +5 more
wiley   +1 more source