119 citations · 312 across the 13 of their papers we have counts for
13 papers
Click chemistry in ultra-high vacuum - tetrazine coupling with methyl enol ether covalently linked to Si(001)
T. Glaser, J. Meinecke, L. Freund +5
The additive-free tetrazine/enol ether click reaction was performed in ultra-high vacuum (UHV) with an enol ether group covalently linked to a silicon surface: Dimethyl 1,2,4,5-tet…
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…
Structure and vibrational properties of the PTCDA/Ag(111) interface: Bilayer vs. monolayer
N. L. Zaitsev, P. Jakob, R. Tonner
The structural and vibrational properties of metal-organic interfaces have been examined by means of infrared (IR) absorption spectroscopy and density functional theory (DFT) with…
Ab initio calculations of the concentration dependent band gap reduction in dilute nitrides
Phil Rosenow, Lars C. Bannow, Eric W. Fischer +4
While being of persistent interest for the integration of lattice-matched laser devices with silicon circuits, the electronic structure of dilute nitride III/V-semiconductors has p…
An ab initio based approach to optical properties of semiconductor heterostructures
L. C. Bannow, P. Rosenow, P. Springer +5
A procedure is presented that combines density functional theory computations of bulk semiconductor alloys with the semiconductor Bloch equations, in order to achieve an ab initio…
Site-specific reactivity of ethylene at distorted dangling bond configurations on Si(001)
Josua Pecher, Gerson Mette, Michael Dürr +1
We report differences in adsorption and reaction energetics for ethylene on Si(001) with respect to different dangling bond configurations induced by hydrogen precoverage as obtain…