Accelerated strategy for fast ion conductor materials screening and optimal doping scheme exploration
Fast ion conductor materials screening based on high-throughput calculations involves enormous computing tasks. The process usually includes structural optimization, energy calculation, charge analysis and ionic migration performance estimation. The first one involves looking for the equilibrium ato...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-09-01
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| Series: | Journal of Materiomics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352847822000296 |