12 citations · 32 across the 5 of their papers we have counts for
5 papers
Directed Growth of Hydrogen Lines on Graphene: High Throughput Simulations Powered by Evolutionary Algorithm
G. Ozbal, J. T. Falkenberg, M. Brandbyge +2
We set up an evolutionary algorithm combined with density functional tight-binding (DFTB) calculations to investigate hydrogen adsorption on flat graphene and graphene monolayers c…
Grain boundary-induced variability of charge transport in hydrogenated polycrystalline graphene
Jose E. Barrios Vargas, Jesper T. Falkenberg, David Soriano +3
Chemical functionalization has proven to be a promising means of tailoring the unique properties of graphene. For example, hydrogenation can yield a variety of interesting effects,…
Localized electronic states at grain boundaries on the surface of graphene and graphite
Adina Luican-Mayer, Jose E. Barrios-Vargas, Jesper Toft Falkenberg +8
Recent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and es…
All-graphene edge contacts: Electrical resistance of graphene T-junctions
Kåre Wedel Jacobsen, Jesper Toft Falkenberg, Nick Papior +3
Using ab-initio methods we investigate the possibility of three-terminal graphene "T-junction" devices and show that these all-graphene edge contacts are energetically feasible whe…
Simple and efficient way of speeding up transmission calculations with -point sampling
Jesper Toft Falkenberg, Mads Brandbyge
The transmissions as functions of energy are central for electron or phonon transport in the Landauer transport picture. We suggest a simple and computationally "cheap" post-proces…