most citedBand alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

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cond-mat.mtrl-sci2019★ 1 cited

Band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Nicolas G. Hörmann, Zhendong Guo, Francesco Ambrosio +3

In this work we study and contrast implicit solvation models against explicit atomistic, quantum mechanical models in the description of the band alignment of semiconductors in aqu…