96 citations · 734 across the 38 of their papers we have counts for
38 papers
Atomic Scale Ordering of Sulfur Vacancies Enhances Charge Transport in Monolayer MoS
Alessandro Pecchia, Andrea Lorenzoni, Alexander Croy +2
Defect engineering in two-dimensional semiconductors has primarily focused on controlling the nature and concentration of atomic defects. Here, we show that the spatial arrangement…
Bond formation insights into the Diels-Alder reaction: A bond perception and self-interaction perspective
Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte +3
The behavior of electrons during bond formation and breaking cannot commonly be accessed from experiments. Thus, bond perception is often based on chemical intuition or rule-based…
Tracing spatial confinement in semiconductor quantum dots by high-order harmonic generation
H. N. Gopalakrishna, R. Baruah, C. Hünecke +20
We report here on results of experimental-theoretical investigation of high-order harmonic generation (HHG) in layers of CdSe semiconductor quantum dots of different sizes and a re…
Towards coarse-grained elasticity of single-layer Covalent Organic Frameworks
Alexander Croy, Antonios Raptakis, David Bodesheim +2
Two-dimensional covalent organic frameworks (2D COFs) are an interesting class of 2D materials since their reticular synthesis allows the tailored design of structures and function…
Atomistic Modelling of Energy Dissipation in Nanoscale Gears
Huang-Hsiang Lin, Alexander Croy, Rafael Gutierrez +1
Molecule- and solid-state gears build the elementary constituents of nanoscale mechanical machineries. Recent experimental advances in fabrication technologies in the field have st…
A Nanographene Disk Rotating a single Molecule Gear on a Cu(111) Surface
Huang-Hsiang Lin, Alexander Croy, Rafael Gutiérrez +2
Lubricants are widely used in macroscopic mechanical systems to reduce friction and wear. However, on the microscopic scale, it is not clear to what extent lubricants are beneficia…