Understanding the Fundamentals of Contact Electrification in Polymer-Polymer Based Systems Using Density of States
- Journal
- Nano Energy
- Page
- 111308
- Year
- 2025
- Link
- https://doi.org/10.1016/j.nanoen.2025.111308 298회 연결
Abstract
Contact electrification (CE) is the phenomenon of charge transfer that occurs due to the contact or friction between two different affinity materials. Understanding the fundamentals of contact electrification in polymer-polymer-based interaction is crucial. To elucidate the fundamentals of contact electrification in polymer-polymer systems, we performed a computational analysis of common tribopolymers interaction with different amino acids. Molecular descriptors, density of states (DOS), electron density difference (EDD) mapping, and Mulliken charge analysis were employed to characterize the influence of electrophilicity or nucleophilicity, the role of triboactive sites, and the changes in energy states during charge transfer kinetics in polymer- polymer-based interactions during CE. This study offers new insights into charge transfer kinetics during CE by analyzing different interaction distances. The study leads to the proposition of a refined theory for understanding contact electrification in polymer-polymer-based systems.