Covalent organic frameworks for solid-state electrolytes of lithium metal batteries

Z Gao, Q Liu, G Zhao, Y Sun, H Guo - Journal of Materials Chemistry A, 2022 - pubs.rsc.org
Covalent organic frameworks (COFs) with a periodic network and open crystalline porous
characteristic have received considerable attention due to their customizable structures and …

RETRACTED: an overview of mathematical modeling of electrochemical supercapacitors/ultracapacitors

IS Ike, I Sigalas, S Iyuke, KI Ozoemena - Journal of Power Sources, 2015 - Elsevier
This article has been retracted at the request of the Editor-in-Chief, with agreement of the
authors: please see Elsevier Policy on Article Withdrawal (http://www. elsevier. com/locate …

Theories and models of supercapacitors with recent advancements: impact and interpretations

A Kumar, G Ahmed, M Gupta, P Bocchetta… - Nano …, 2021 - iopscience.iop.org
Supercapacitors provide remarkable eco-friendly advancement in energy conversion and
storage with a huge potential to control the future economy of the entire world. Currently …

DFT and MD investigations on the functionalized boron nitride nanotube as an effective drug delivery carrier for Carmustine anticancer drug

A Mortazavifar, H Raissi, A Akbari - Journal of Molecular Liquids, 2019 - Elsevier
In the present work, we apply density functional theory (DFT) calculations to investigate the
drug delivery performance of the boron nitride nanotube (BNNT) having hydroxyl functional …

Lithium ion diffusion mechanism in covalent organic framework based solid state electrolyte

K Zhang, B Zhang, M Weng, J Zheng, S Li… - Physical Chemistry …, 2019 - pubs.rsc.org
Solid state electrolytes (SSEs) based on two dimensional covalent organic frameworks (2D-
COFs) with Li salts and solvents impregnated in their large pores have emerged as novel …

Synthesis of multi-walled carbon nanotube–hydroxyapatite composites and its application in the sorption of Co (II) from aqueous solutions

Z Liu, L Chen, Z Zhang, Y Li, Y Dong, Y Sun - Journal of Molecular Liquids, 2013 - Elsevier
In this paper, multi-walled carbon nanotube–hydroxyapatite (MWCNT–HAP) composites
were synthesized and characterized by scanning electron microscopy (SEM), Fourier …

Molecular dynamics investigation of benzoic acid in confined spaces

L Sironi, G Macetti, LL Presti - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Classical molecular dynamics simulations are carried out to investigate the aggregation of
supercooled benzoic acid in confined spaces. Nanocavities, nanotubes and nanolayers are …

Bidirectional water transport through non-straight carbon nanotubes

S Kargar, A Moosavi - Journal of Molecular Liquids, 2019 - Elsevier
Natural nanochannels and those used for applied purposes are often several nanometers in
diameter and have lengths up to micrometer scales. Since normally no pressure gradient …

Implementation of a cylindrical distribution function for the analysis of anisotropic molecular dynamics simulations

RJ Mandle - Plos one, 2022 - journals.plos.org
The cylindrical distribution function (CDF) is a convenient anisotropic analogue of the radial
distribution function, the difference being the use of cylindrical shells for binning. As such …

Structure and dynamics of liquid methanol confined within functionalized silica nanopores

MD Elola, J Rodriguez, D Laria - The Journal of chemical physics, 2010 - pubs.aip.org
Molecular dynamics simulations have been carried out to investigate the structure and
dynamics of liquid methanol confined in 3.3 nm diameter cylindrical silica pores. Three …