| Title: |
Interfacial Structural and Dynamical Properties of [BMI + ] [PF 6 - ] Ionic Liquids on the MXene Electrode: A Molecular Dynamics Simulation Study |
| Authors: |
Xu, Chenxuan; Zheng, Wenjin; Wen, Binbin; Chen, Xiaolin; Hua, Jing; Wang, Xinhao; Qian, Xu; Si, Linjun; Chen, Gang; Yang, Huachao |
| Source: |
Journal of Physics: Conference Series ; volume 2563, issue 1, page 012008 ; ISSN 1742-6588 1742-6596 |
| Publisher Information: |
IOP Publishing |
| Publication Year: |
2023 |
| Description: |
Two-dimensional MXene nanomaterials are attracting more and more research interests as electrodes in energy storage applications. In this work, the interfacial structural and dynamical properties of solvent-free ionic liquids ([BMI + ] [PF 6 - ]) on the MXene electrode are investigated using molecular dynamics simulation. Multiple alternating structures of [BMI + ] cation and [PF 6 - ] anions on the MXene surface are observed. Interestingly, the ion diffusion coefficients are remarkably reduced (by 30~40%) in the interfacial Helmholtz layer. Importantly, an asymmetric bell-shaped differential capacitance profile with a maximum capacitance of ~7.04 μF/cm 2 is observed. This is chiefly correlated with the structural properties of counterions rather than coins in the interfacial areas. |
| Document Type: |
article in journal/newspaper |
| Language: |
unknown |
| DOI: |
10.1088/1742-6596/2563/1/012008 |
| DOI: |
10.1088/1742-6596/2563/1/012008/pdf |
| Availability: |
https://doi.org/10.1088/1742-6596/2563/1/012008; https://iopscience.iop.org/article/10.1088/1742-6596/2563/1/012008; https://iopscience.iop.org/article/10.1088/1742-6596/2563/1/012008/pdf |
| Rights: |
http://creativecommons.org/licenses/by/3.0/ ; https://iopscience.iop.org/info/page/text-and-data-mining |
| Accession Number: |
edsbas.67310CDF |
| Database: |
BASE |