Ionic Diffusion-Driven Ionovoltaic Transducer for Probing Ion-Molecular Interactions at Solid-Liquid Interface.
Sign Up to like & getrecommendations! Published in 2021 at "Advanced science"
DOI: 10.1002/advs.202103038
Abstract: Ion-solid surface interactions are one of the fundamental principles in liquid-interfacing devices ranging from various electrochemical systems to electrolyte-driven energy conversion devices. The interplays between these two phases, especially containing charge carriers in the solid… read more here.
Keywords: ionic diffusion; molecular interactions; charge; ion ... See more keywords
Structural Distortions and Ionic Diffusion Mechanisms in the Quasi-1D Copper Halide Perovskite CsCu2I3.
Sign Up to like & getrecommendations! Published in 2025 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.5c02453
Abstract: Copper-based all-inorganic halide perovskites have garnered increasing attention due to their distinctive quasi-one-dimensional crystal structures and promising optoelectronic and ionic transport properties. Among them, CsCu2I3 stands out as a widely studied model system, exhibiting efficient… read more here.
Keywords: copper; ionic diffusion; halide; distortions ionic ... See more keywords
Atomistic Description of Ionic Diffusion in PEO–LiTFSI: Effect of Temperature, Molecular Weight, and Ionic Concentration
Sign Up to like & getrecommendations! Published in 2018 at "Macromolecules"
DOI: 10.1021/acs.macromol.8b01753
Abstract: Understanding the ionic diffusion mechanism in polymer electrolytes is critical to the development of advanced lithium-ion batteries. We report here molecular dynamics-based characterization of structures and diffusion in poly(ethylene oxide) (PEO) with lithium and bis(trifluoromethysulfonyl)imide… read more here.
Keywords: description ionic; temperature; diffusion; peo ... See more keywords
Ionic diffusion and proton transfer of MgCl2 and CaCl2 aqueous solutions: an ab initio study under electric field
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Simulation"
DOI: 10.1080/08927022.2018.1513650
Abstract: ABSTRACT We report on a series of ab initio molecular dynamics simulations on MgCl and CaCl aqueous solutions subjected to the effect of static electric fields. The diffusion properties of the solvated cationic species have… read more here.
Keywords: ionic diffusion; field; aqueous solutions; diffusion proton ... See more keywords
Ionic Diffusion in CO_{2} Adsorption by Li_{4}SiO_{4}: Inert-Marker Experiment and DFT Calculations.
Sign Up to like & getrecommendations! Published in 2024 at "Physical review letters"
DOI: 10.1103/physrevlett.133.198001
Abstract: CO_{2} adsorption by Li_{4}SiO_{4} has garnered significant attention for its potential in effectively capturing CO_{2}. The slow diffusion-controlled reaction within the product layer is a key factor affecting CO_{2} adsorption. However, no research has been… read more here.
Keywords: inert marker; ionic diffusion; diffusion; adsorption sio ... See more keywords