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Impact of the metal substrate on the electronic structure of armchair graphene nanoribbons

Marsoner Steinkasserer, Lukas Eugen and Paulus, Beate and Voloshina, Elena – 2014

Plane-wave DFT methods including semi-empirical dispersion correction are used to study in detail the interaction of different types of armchair graphene nanoribbons with Ag(1 1 1) and Au(1 1 1) surfaces. It is found that the two substrates show considerable differences in their interaction with the nanoribbons, resulting in notably different doping behavior for Au(1 1 1) and Ag(1 1 1). The obtained results are compared with the available experimental data.

Title
Impact of the metal substrate on the electronic structure of armchair graphene nanoribbons
Author
Marsoner Steinkasserer, Lukas Eugen and Paulus, Beate and Voloshina, Elena
Date
2014
Identifier
DOI: 10.1016/j.cplett.2014.02.038
Source(s)
Citation
Chem. Phys. Lett. 2014, 597, 148-152