Zobrazeno 1 - 10
of 67
pro vyhledávání: '"Hörmann, Lukas"'
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. Conventional wisdom holds that incommensurate interface structures facilit
Externí odkaz:
http://arxiv.org/abs/2304.12427
Organic adlayers on inorganic substrates often contain adatoms, which can be incorporated within the adsorbed molecular species, forming two-dimensional metal-organic frameworks at the substrate surface. The interplay between native adatoms and adsor
Externí odkaz:
http://arxiv.org/abs/2202.05108
Virtually all organic (opto)electronic devices rely on organic/inorganic interfaces with specific properties. These properties are, in turn, inextricably linked to the interface structure. Therefore, a change in structure can introduce a shift in fun
Externí odkaz:
http://arxiv.org/abs/2111.08437
Autor:
Calcinelli, Fabio, Jeindl, Andreas, Hörmann, Lukas, Ghan, Simiam, Oberhofer, Harald, Hofmann, Oliver T.
The structure and chemical composition are the key parameters influencing the properties of organic thin films deposited on inorganic substrates. Such films often display structures that substantially differ from the bulk, and the substrate has a rel
Externí odkaz:
http://arxiv.org/abs/2107.00576
Molecules adsorbing on metal surfaces form a variety of different surface polymorphs. How strongly this polymorphism affects interface properties is a priori unknown. In this work we investigate how strongly the surface polymorphism influences the in
Externí odkaz:
http://arxiv.org/abs/2107.00560
Properties of inorganic-organic interfaces, such as their interface dipole, strongly depend on the structural arrangements of the organic molecules. A prime example is tetracyanoethylene (TCNE) on Cu(111), which shows two different phases with signif
Externí odkaz:
http://arxiv.org/abs/2107.00477
Autor:
Jeindl, Andreas, Domke, Jari, Hörmann, Lukas, Sojka, Falko, Forker, Roman, Fritz, Torsten, Hofmann, Oliver T.
Publikováno v:
ACS Nano 2021, 15, 4, 6723-6734
The fabrication of nanomaterials involves self-ordering processes of functional molecules on inorganic surfaces. To obtain specific molecular arrangements, a common strategy is to equip molecules with functional groups. However, focusing on the funct
Externí odkaz:
http://arxiv.org/abs/2010.10347
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 potential energy surface (PES), making it key to understanding organic/
Externí odkaz:
http://arxiv.org/abs/2005.01836
In this publication we introduce SAMPLE, a structure search approach for commensurate organic monolayers on inorganic substrates. Such monolayers often show rich polymorphism with diverse molecular arrangements in differently shaped unit cells. Deter
Externí odkaz:
http://arxiv.org/abs/1811.11702
Autor:
Scherbela, Michael, Hörmann, Lukas, Jeindl, Andreas, Obersteiner, Veronika, Hofmann, Oliver T.
Publikováno v:
Phys. Rev. Materials 2, 043803 (2018)
The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. In this work we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defec
Externí odkaz:
http://arxiv.org/abs/1709.05417