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20182022
most citedReproducibility of Potential Energy Surfaces of Organic/Metal Interfaces on the Example of PTCDA on Ag(111)

14 citations · 23 across the 5 of their papers we have counts for

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physics.comp-ph2021★ 8 cited

Towards targeted kinetic trapping of organic-inorganic interfaces: A computational case study

Anna Werkovits, Andreas Jeindl, Lukas Hörmann +2

Properties of inorganic-organic interfaces, such as their interface dipole, strongly depend on the structural arrangements of the organic molecules. A prime example is tetracyanoet…

physics.comp-ph2020★ 14 cited

Reproducibility of Potential Energy Surfaces of Organic/Metal Interfaces on the Example of PTCDA on Ag(111)

Lukas Hörmann, Andreas Jeindl, Oliver T. Hofmann

Molecular adsorption at organic/metal interfaces depends on a range of mechanisms: covalent bonds, charge transfer, Pauli repulsion and van der Waals (vdW) interactions shape the p…