573 citations · 2.9k across the 26 of their papers we have counts for
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Defect-induced conductivity anisotropy in MoS2 monolayers
Mahdi Ghorbani-Asl, Andrey N. Enyashin, Agnisezka Kuc +2
Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Bind…
Orientation dependence of energy absorption and relaxation dynamics of in fs-laser pulses: How round is ?
M. Fischer, J. Handt, G. Seifert +1
By means of non-adiabatic quantum molecular dynamics it is shown, that the amount of energy deposited into by a short laser field strongly depends on the molecular…
Theory of second harmonic generation in few-layered MoS2
Mads Lund Trolle, Gotthard Seifert, Thomas Garm Pedersen
Recent experimental results have demonstrated the ability of monolayer MoS to efficiently generate second harmonic fields with susceptibilities between 0.1 and 100 nm/V. Howeve…
Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: An ab-initio density-functional study
Ceren Tayran, Zhen Zhu, Matteo Baldoni +3
We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bar…
Line Defects in Molybdenum Disulfide Layers
Andrey N. Enyashin, Maya Bar-Sadan, Lothar Houben +1
Layered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility i…
Graphene nanoflakes - structural and electronic properties
Agnieszka Kuc, Thomas Heine, Gotthard Seifert
The structures, cohesive energies and HOMO-LUMO gaps of graphene nanoflakes and corresponding polycyclic aromatic hydrocarbons for a large variety of size and topology are investig…