Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Andreas Jeindl"'
The computational prediction of the structure and stability of hybrid organic-inorganic interfaces provides important insights into the measurable properties of electronic thin film devices, coatings, and catalyst surfaces and plays an important role
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::596ba11cb106fd4a91759dc3e62fead7
http://arxiv.org/abs/2202.13009
http://arxiv.org/abs/2202.13009
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0cadfa836e4b8cfe3d654b227cca323
http://arxiv.org/abs/2111.08437
http://arxiv.org/abs/2111.08437
Publikováno v:
ACS Omega
ACS Omega, Vol 6, Iss 47, Pp 32270-32276 (2021)
ACS Omega, Vol 6, Iss 47, Pp 32270-32276 (2021)
We apply high-throughput density functional theory calculations and symbolic regression to hybrid inorganic/organic interfaces with the intent to extract physically meaningful correlations between the adsorption-induced work function modifications an
Autor:
Katharina J. Franke, Lutz H. Gade, Benjamin Günther, Arnulf Stein, Petra Tegeder, David Gerbert, Oliver T. Hofmann, Andreas Jeindl, Daniela Rolf, Sascha Feldmann, Johannes J. Cartus, Christian Lotze
Publikováno v:
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
N-Heteropolycyclic aromatic compounds are promising organic electron-transporting semiconductors for applications in field effect transistors. Here, we investigated the electronic properties of 1,3,8,10-tetraazaperopyrene derivatives adsorbed on Au(1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3834bb51815f9d591c0ee0fc6f6fd378
http://arxiv.org/abs/2108.09681
http://arxiv.org/abs/2108.09681
Autor:
Simiam Ghan, Lukas Hörmann, Oliver Hofmann, Harald Oberhofer, Fabio Calcinelli, Andreas Jeindl
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9513919901317212d34f9db78f8880c6
http://arxiv.org/abs/2107.00576
http://arxiv.org/abs/2107.00576
Autor:
Ralf Tonner, Christian Winkler, Florian Mayer, Oliver T. Hofmann, Andreas Jeindl, Egbert Zojer
Publikováno v:
Chemistry of Materials. 31:7054-7069
A crucial factor determining charge transport in organic semiconductors is the electronic coupling between the molecular constituents, which is heavily influenced by the relative arrangement of the molecules. This renders quinacridone, with its multi
Publikováno v:
ACS Physical Chemistry Au
ACS Physical Chemistry Au, Vol 2, Iss 1, Pp 38-46 (2021)
ACS Physical Chemistry Au, Vol 2, Iss 1, Pp 38-46 (2021)
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 sign
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61b720eea2731fcd8a00886e978cc38a
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eddbf040402afd4a350d644d75e52556
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f318e8c8d532e39630957d42bc72484d
http://arxiv.org/abs/2005.01836
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20f82760ee75e5bcea8456ec0f66768f