A machine-learning model trained on DFT data predicts bond lengths from local coordination to screen 1.175 million transition-metal oxides and fluorides for low volume change upon ion intercalation.
Zero-Strain Insertion Material of Li [ Li1 / 3Ti5 / 3 ] O 4 for Rechargeable Lithium Cells.J
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High-Throughput-Screening Workflow for Predicting Volume Changes by Ion Intercalation in Battery Materials
A machine-learning model trained on DFT data predicts bond lengths from local coordination to screen 1.175 million transition-metal oxides and fluorides for low volume change upon ion intercalation.