Advanced Polymers for High-Performance Batteries
A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Chemistry".
Deadline for manuscript submissions: 5 January 2025 | Viewed by 7218
Special Issue Editors
Interests: lithium-ion battery safety; thermal runaway; high-voltage electrolyte; thermal management
Interests: construction fire materials; battery fire safety; bio-inspired coatings; fire alarm sensor
Special Issues, Collections and Topics in MDPI journals
Interests: Li metal anode free batteries; High functional artificial SEI layer; suppress dendritic growth
Special Issue Information
Dear Colleagues,
As the energy structure of the world transitions from fossil fuels to renewable energy, new energy and its devices (e.g., lithium-ion cells, hydrogen energy, and supercapacitors) are playing a significant role in human production and living. Polymers are being widely used in new batteries, acting as the critical components of separator, electrolyte, aluminum-plastic film, proton conductor, etc. Therefore, the performance of polymers has an extremely significant impact on the performance of new batteries. Polymer research is crucial to the development of high-performance batteries. To achieve more competitive performances, new polymer materials with more advanced features are continuously being researched and proposed. It is hoped that the new proposed polymers could achieve ‘high-performance batteries’ with both competitive electrochemical and safety performances, meet the market requirements, and better serve the community.
Dr. Dongxu Ouyang
Dr. Wei Wang
Dr. Orapa Tamwattana
Guest Editors
Manuscript Submission Information
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Keywords
- polymers
- high-performance batteries
- separator
- electrolyte
- aluminum-plastic film
- binder
- fuel battery
- safety
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Planned Papers
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Title: An electronic structure investigation of PEDOT with AlCl4- anions, a promising redox combination for energy storage applications
Authors: Ben Craig; Peter Townsend; Carlos Ponce de Leon; Chris Skylaris; Denis Kramer
Affiliation: Helmut-Schmidt-University
Abstract: The conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) is one of the most researched materials. The 1980s bipolaron model remains the dominant interpretation of the electronic structure of PEDOT. Recent theoretical studies have provided updated definitions of key concepts such as bipolarons or polaron pairs, but these have not yet become widely known. In this work, we use density functional theory to investigate the electronic structure of PEDOT oligomers with co-located AlCl4- anions, a promising combination for energy storage. By considering the influence of oligomer length, oxidation or anion concentration and spin state, we find no evidence for self-localisation of positive charges in PEDOT as predicted by the bipolaron model at the hybrid functional level. Our results show distortions that exhibit either a single or a double peak in bond length alternations and charge density. Either can occur at different oxidation or anion concentrations. We note that other distortion shapes are also possible. Rather than representing bipolarons or polaron pairs in the original model, these are electron distributions driven by a range of factors. Localisation of distortions occurs with anions, and distortions can span an arbitrary number of nearby anions. Conductivity in conducting polymers has been observed to reduce at anion concentrations above 0.5. We show at high anion concentrations, the energy of the localised, non-bonding anionic orbitals approaches that of the system HOMO due to Coulombic repulsion between anions. We hypothesize that with nucleic motion in the macropolymer, these orbitals will interfere with the hopping of charge carriers between sites of similar energy, lowering conductivity.