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PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation
[Image: see text] Electrochemical energy storage always involves the capacitive process. The prevailing electrode model used in the molecular simulation of polarizable electrode–electrolyte systems is the Siepmann–Sprik model developed for perfect metal electrodes. This model has been recently exten...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413855/ https://www.ncbi.nlm.nih.gov/pubmed/37477645 http://dx.doi.org/10.1021/acs.jctc.3c00359 |