Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
作者： Arihant Bhandari , Lucian Anton , Jacek Dziedzic , Chao Peng , Denis Kramer
DOI: 10.1063/5.0021210
关键词:
摘要: … of charged periodic systems via the Poisson–Boltzmann … We note that the electrostatic potential in OBCs reaches zero at … We note that the electrostatic potential is quite similar for …
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