Solid–electrolyte-interphase design in constrained ensemble for solid-state batteries
| Autor: | Luhan Ye, Xi Chen, William Fitzhugh, Xin Li, Yichao Wang |
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| Rok vydání: | 2021 |
| Předmět: |
Work (thermodynamics)
Materials science Passivation Field (physics) Renewable Energy Sustainability and the Environment Interface (Java) 02 engineering and technology Electrolyte 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Pollution 0104 chemical sciences Power (physics) Nonlinear system Nuclear Energy and Engineering Chemical physics visual_art visual_art.visual_art_medium Environmental Chemistry Ceramic 0210 nano-technology |
| Zdroj: | Energy & Environmental Science. 14:4574-4583 |
| ISSN: | 1754-5706 1754-5692 |
| DOI: | 10.1039/d1ee00754h |
| Popis: | Solid-state-batteries (SSBs) represent one of the most promising directions in the energy-storage field. The development of SSBs, however, is currently limited by the complex [electro-]chemical reactions that inevitably occur at the interface of solid-state electrolyte (SSE) particles. Moreover, given the material complexity of such systems, there is no straightforward methodology for addressing these interface instabilities. In this work, a combined high-throughput ab initio computation and machine learning approach is used to study and design solid-state solid–electrolyte-interphase (SEI) with tunable electrochemical stabilities using our unique constrained ensemble description. Machine learning reveals that the ability of a solid-state SEI to be stabilized by the mechanical constriction effect is a nonconvex and nonlinear, but deterministic none-the-less, function of composition. The power of this approach is demonstrated using the interface of glass and ceramic sulfide families of solid-electrolytes. Finally, it is experimentally verified that the designed interfaces, in fact, decompose and electrochemically passivate based on our predictions. |
| Databáze: | OpenAIRE |
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