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most citedTransfer learning for materials informatics using crystal graph convolutional neural network

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cond-mat.mtrl-sci2022★ 3 cited

Doping effect and Li-ion conduction mechanism of ALi6XO6 (A = K or Rb, and X = pentavalent): A first-principles study

Joohwi Lee, Ryoji Asahi

Recent theoretical and experimental evaluations demonstrated that KLi6TaO6 is a good Li-ion conductor. In this study, the energetics and detailed mechanism of Li-ion migration, rel…