- (DPFT) -

Xiwei Wang1,2, Jun Huang1,2

  • 1Institute of Energy Technologies, IET-3: Theory and Computation of Energy Materials, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany.

ACS physical chemistry Au
|December 4, 2025
PubMed
概括

我们介绍了密度-电位函数理论 (DPFT) 方案,以高效地模拟固体-液体接口上的电子转移. 这些方法提高了系统的一致性,并降低了电化学建模的计算成本.

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