Growth and electronic structure of boron-doped graphene

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Details zur Publikation

Autorinnen und Autoren: Gebhardt J, Koch R, Zhao W, Höfert O, Gotterbarm K, Mammadov S, Papp C, Görling A, Steinrück HP, Seyller T
Zeitschrift: Physical Review B
Verlag: American Physical Society
Jahr der Veröffentlichung: 2013
Band: 87
Heftnummer: 15
ISSN: 1098-0121


The doping of graphene to tune its electronic properties is essential for its further use in carbon-based electronics. Adapting strategies from classical silicon-based semiconductor technology, we use the incorporation of heteroatoms in the 2D graphene network as a straightforward way to achieve this goal. Here, we report on the synthesis of boron-doped graphene on Ni(111) in a chemical vapor deposition process of triethylborane on the one hand and by segregation of boron from the bulk of the substrate crystal on the other hand. The chemical environment of boron was determined by x-ray photoelectron spectroscopy, and angle-resolved photoelectron spectroscopy was used to analyze the impact on the band structure. Doping with boron leads to a shift of the graphene bands to lower binding energies. The shift depends on the doping concentration and for a doping level of 0.3 ML a shift of up to 1.2 eV is observed. The experimental results are in agreement with density-functional calculations. Furthermore, our calculations suggest that doping with boron leads to graphene preferentially adsorbed in the top-fcc geometry, since the boron atoms in the graphene lattice are then adsorbed at substrate fcc-hollow sites. The smaller distance of boron atoms incorporated into graphene compared to graphene carbon atoms leads to a bending of the doped graphene sheet in the vicinity of the boron atoms. By comparing calculations of doped and undoped graphene on Ni(111), as well as the respective freestanding cases, we are able to distinguish between the effects that doping and adsorption have on the band structure of graphene. Both doping and bonding to the surface result in opposing shifts on the graphene bands. © 2013 American Physical Society.

FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Gebhardt, Julian
Lehrstuhl für Theoretische Chemie
Görling, Andreas Prof. Dr.
Lehrstuhl für Theoretische Chemie
Gotterbarm, Karin
Lehrstuhl für Physikalische Chemie II
Höfert, Oliver
Lehrstuhl für Physikalische Chemie II
Koch, Roland
Naturwissenschaftliche Fakultät
Mammadov, Samir
Lehrstuhl für Laserphysik
Papp, Christian PD Dr.
Lehrstuhl für Physikalische Chemie II
Seyller, Thomas PD Dr.
Lehrstuhl für Laserphysik
Steinrück, Hans-Peter Prof. Dr.
Lehrstuhl für Physikalische Chemie II
Zhao, Wei
Lehrstuhl für Physikalische Chemie II

Zusätzliche Organisationseinheit(en)
Exzellenz-Cluster Engineering of Advanced Materials


D Catalytic Materials
Exzellenz-Cluster Engineering of Advanced Materials
A3 Multiscale Modeling and Simulation
Exzellenz-Cluster Engineering of Advanced Materials


Gebhardt, J., Koch, R., Zhao, W., Höfert, O., Gotterbarm, K., Mammadov, S.,... Seyller, T. (2013). Growth and electronic structure of boron-doped graphene. Physical Review B, 87(15).

Gebhardt, Julian, et al. "Growth and electronic structure of boron-doped graphene." Physical Review B 87.15 (2013).


Zuletzt aktualisiert 2019-09-04 um 14:50