without changing your settings we'll assume you are happy to receive all RSC cookies.
You can change your cookie settings by navigating to our Privacy and Cookies page and following the instructions. These instructions
are also obtainable from the privacy link at the bottom of any RSC page.
This work presents a new methodology based on a multi-interface superlattice approach to investigate interface electrochemistry in conversion reactions, through first-principles DFT or DFT + U calculations. This method is applied to the CoOelectrode for which several experimental data are available, and describes the main interface effects by means of three interdependent descriptors, namely the chemical (interface bonding), the mechanical (stress) and the electrical/electrochemical (electric bias) descriptors. Thanks to this decomposition, the most probable interfaces occurring during the CoO conversion have been determined, and a probable electrode morphology has been proposed. Furthermore, the addition of an external redox potential to the multi-interface superlattice has revealed asymmetric electrochemical interface phenomena in charge and discharge, shedding some light into the voltage hysteresis observed for the CoO conversion/reconversion.
Fetching data from CrossRef. This may take some time to load.
This may take some time to load.
Journal of Materials Chemistry
- Information Point
This text is added as a work around for heading error in Accessibility testing