A computational chemistry approach to modelling conducting polymers in ionic liquids for next generation batteries
An overview of modern quantum chemical methods is presented followed by a discussion of their application in the field of conducting organic polymers (COPs), with a view towards modelling the cathodic half-cell of a poly(3,4-ethylenedioxythiophene) (PEDOT) cathode in an AlCl3-1-ethyl-3-methylimidazo...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-05-01
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| Series: | Energy Reports |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352484720302560 |