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Nicolas Bergmann1, Nicéphore Bonnet2, Nicola Marzari2

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.

Physical review letters
|October 19, 2025
PubMed
概括

我们开发了一种机器学习 (ML) 方法,准确预测电气化金属表面的能量. 这种方法通过考虑电荷诱导的位点切换来解释金属表面上分子的pH依赖吸附.

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