27 citations · 37 across the 6 of their papers we have counts for
6 papers · 1 filter
Comprehensive Structure Exploration and Thermodynamics of Graphitic Heteroatom Doped Graphene Superstructures
Benedict Saunders, Lukas Hörmann, Reinhard J. Maurer
Graphene has been studied in detail due to its mechanical, electrical, and thermal properties. It is well documented that the introduction of dopants or defects in the lattice can…
Machine Learning and Data-Driven Methods in Computational Surface and Interface Science
Lukas Hörmann, Wojciech G. Stark, Reinhard J. Maurer
Nanoscale design of surfaces and interfaces is essential for modern technologies like organic LEDs, batteries, fuel cells, superlubricating surfaces, and heterogeneous catalysis. H…
The impact of static distortion waves on superlubricity
Lukas Hörmann, Johannes J. Cartus, Oliver T. Hofmann
Friction is a major source of energy loss in mechanical devices. This energy loss may be minimized by creating interfaces with extremely reduced friction, i.e. superlubricity. Conv…
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…
SAMPLE: Surface structure search enabled by coarse graining and statistical learning
Lukas Hörmann, Andreas Jeindl, Alexander T. Egger +2
In this publication we introduce SAMPLE, a structure search approach for commensurate organic monolayers on inorganic substrates. Such monolayers often show rich polymorphism with…