精确的量子化学反应能量用于介导的电解质分解和密度函数近似值的评估

Sibali Debnath1, Verena A Neufeld1,2, Leif D Jacobson3

  • 1Department of Chemistry, Columbia University, New York, New York 10027, United States.

概括

调查离子电池电解质分解对于性能至关重要. 这项研究对计算方法进行了基准测试,以准确预测固体电解质相间形成路径.

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