14 citations · 23 across the 5 of their papers we have counts for
7 papers
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces
Julia Westermayr, Shayantan Chaudhuri, Andreas Jeindl +2
The computational prediction of the structure and stability of hybrid organic-inorganic interfaces provides important insights into the measurable properties of electronic thin fil…
The role of adatoms for the adsorption of F4TCNQ on Au(111)
Richard K. Berger, Andreas Jeindl, Lukas Hörmann +1
Organic adlayers on inorganic substrates often contain adatoms, which can be incorporated within the adsorbed molecular species, forming two-dimensional metal-organic frameworks at…
Interfacial charge transfer influences thin-film polymorphism
Fabio Calcinelli, Andreas Jeindl, Lukas Hörmann +3
The structure and chemical composition are the key parameters influencing the properties of organic thin films deposited on inorganic substrates. Such films often display structure…
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…
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…
Understanding the correlation between electronic coupling and energetic stability of molecular crystal polymorphs: The instructive case of quinacridone
Christian Winkler, Andreas Jeindl, Florian Mayer +3
A crucial factor determining charge transport in organic semiconductors is the electronic coupling between the molecular constituents, which is heavily influenced by the relative a…