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20052019
most citedFirst-principles study of the dipole layer formation at metal-organic interfaces

64 citations · 86 across the 3 of their papers we have counts for

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Showing 2019 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2019★ 22 cited

Quantitative Predictions of Photoelectron Spectra in Amorphous Molecular Solids from Multiscale Quasiparticle Embedding

Gianluca Tirimbo, Xander de Vries, Christ H. L. Weijtens +3

We present a first-principles-based multiscale simulation framework for quantitative predictions of the high-energy part of the Ultraviolet Photoelectron Spectroscopy (UPS) spectra…