269 citations · 886 across the 25 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 13 cited
Dielectric embedding GW for weakly coupled molecule-metal interfaces
Zhenfei Liu
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key i…
cond-mat.mtrl-sci2019★ 55 cited
Accelerating -Based Energy Level Alignment Calculations for Molecule-Metal Interfaces Using a Substrate Screening Approach
Zhen-Fei Liu, Felipe H. da Jornada, Steven G. Louie +1
The physics of electronic energy level alignment at interfaces formed between molecules and metals can in general be accurately captured by the \emph{ab initio} approach. Howe…