Polyoligomeric silsesquioxane (POSS) tailored with trifluoromethanesulfonylimide-lithium and solvated in tetraglyme (G4) is a potential electrolyte for Li-ion batteries. Using classical MD simulations, at different G4/POSS(-LiNSO2CF3)8 molar ratios, the interactions of Li+ ions with the oxygen atoms of G4 and, oxygen/nitrogen sites of the pendant tails, the behavior of POSS(--NSO2CF3)8 anion, and the mobility of species are investigated. The RDFs showed that there exist competing interactions of the O(G4), O(POSS), and N(POSS) sites with Li+ ions. The lifetime analysis indicated that Li+---O(POSS) and Li+--- N(POSS) interactions are longer-lived compared to Li+---O(G4). The morphology changes of the POSS tails upon interaction with Li+ ions were analyzed using rotational lifetimes, coiling, and end-to-end distances. The ion-speciation analysis indicated the presence of solvent-separated ion pairs (SSIPs), contact ion pairs (CIPs), and higher-order ion clusters, with SSIPs being the more dominant species at 32/1. The self-diffusion coefficients for the 32/1 system, which showed the least cation-anion interaction, followed the trend: [[EQUATION]] > [[EQUATION]] > [[EQUATION]] > [[EQUATION]]. The computed cationic transference number (t+) using the [[EQUATION]] is consistent with NMR experimental data. The t+ (and the trends with temperature) computed using the [[EQUATION]] and ionic conductivities are in good agreement.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/cphc.202400983 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
An electrochromism-equipped enzymatic biofuel cell system combined with hollow microneedle array for self-powered glucose sensing in interstitial fluid.
Mikrochim Acta
March 2025
School of Health Science and Engineering, University of Shanghai for Science and Technology, Shanghai, 20093, China.
A disposable, self-powered enzymatic biofuel cell (BFC) sensor integrated with a hollow microneedle array (HMNA) for glucose monitoring in interstitial fluid (ISF) is reported. The HMNA enables painless and minimally invasive ISF extraction. The BFC uses dehydrogenase (GDH) in conjunction with NAD, diaphorase (DI), and vitamin K (VK) serving as electron transfer mediators as the anode catalyst and Prussian blue (PB) as the electrochromic cathode.
View Article and Find Full Text PDFOptimized Porous KTi(PO)@N-Doped Carbon Electrode for Enhanced Sodium/Potassium-Storage and Accelerated Activation Process.
ACS Appl Mater Interfaces
March 2025
Northwest Institute for Nonferrous Metal Research, Xi'an, Shannxi 710016, China.
Porous KTi(PO) nanoparticles are synthesized via a solvothermal method and subsequently modified with nitrogen-doped carbon layers by using polydopamine as the carbon source. The resultant KTi(PO)@N-doped carbon composite (KTP@NC) exhibits a preserved porous structure with abundant pores, facilitating ion diffusion and electrolyte infiltration. Various characterizations, including X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy, reveal the successful formation of an interconnected nitrogen-doped carbon network.
View Article and Find Full Text PDFMoSe/BiSe Heterostructure Immobilized in N-Doped Carbon Nanosheets Assembled Flower-Like Microspheres for High-Rate Sodium Storage.
Small
March 2025
Key Laboratory of Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong University, Jinan, 250100, China.
A key challenge for sodium-ion batteries (SIBs) lies in identifying suitable host materials capable of accommodating large Na ions while addressing sluggish chemical kinetics. The unique interfacial effects of heterogeneous structures have emerged as a critical factor in accelerating charge transfer and enhancing reaction kinetics. Herein, MoSe/BiSe composites integrated with N-doped carbon nanosheets are synthesized, which spontaneously self-assemble into flower-like microspheres (MoSe/BiSe@N-C).
View Article and Find Full Text PDFBio-Inspired Retina by Regulating Ion-Confined Transport in Hydrogels.
Adv Mater
March 2025
Department of Biomedical Engineering, Guangdong Provincial Key Laboratory of Advanced Biomaterials, Institute of Innovative Materials, Southern University of Science and Technology, Shenzhen, 518055, P. R. China.
The effective and precise processing of visual information by the human eye primarily relies on the diverse contrasting functions achieved through synaptic regulation of ion transport in the retina. Developing a bio-inspired retina that uses ions as information carriers can more accurately replicate retina's natural signal processing capabilities, enabling high-performance machine vision. Herein, an ion-confined transport strategy is proposed to construct a bio-inspired retina by developing artificial synapses with inhibitory and excitatory contrasting functions.
View Article and Find Full Text PDFControllable Preparation of Low-Cost Coal Gangue-Based SAPO-5 Molecular Sieve and Its Adsorption Performance for Heavy Metal Ions.
Nanomaterials (Basel)
February 2025
College of Materials Science and Engineering, Xi'an University of Science and Technology, Xi'an 710054, China.
With the advancement of industrial production and urban modernization, pollution from heavy metal ions and the accumulation of solid waste have become critical global environmental challenges. Establishing an effective recycling system for solid waste and removing heavy metals from wastewater is essential. Coal gangue was used in this study as the primary material for the synthesis of a fully coal gangue-based phosphorus-silicon-aluminum (SAPO-5) molecular sieve through a hydrothermal process.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!