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Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene. / Jørgensen, Jakob Holm; Grubisic Cabo, Antonija; Balog, Richard et al.
In: A C S Nano, Vol. 10, No. 12, 2016, p. 10798-10807.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
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TY - JOUR
T1 - Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene
AU - Jørgensen, Jakob Holm
AU - Grubisic Cabo, Antonija
AU - Balog, Richard
AU - Hansen, Line Kyhl
AU - Groves, Michael N.
AU - Cassidy, Andrew Martin
AU - Bruix, Albert
AU - Bianchi, Marco
AU - Dendzik, Maciej
AU - Arman, Mohammad Alif
AU - Lammich, Lutz
AU - Pascual, José Ignacio
AU - Knudsen, Jan
AU - Hammer, Bjørk
AU - Hofmann, Philip
AU - Hornekaer, Liv
PY - 2016
Y1 - 2016
N2 - Band gap engineering in hydrogen functionalized graphene is demonstrated by changing the symmetry of the functionalization structures. Small differences in hydrogen adsorbate binding energies on graphene on Ir(111) allow tailoring of highly periodic functionalization structures favoring one distinct region of the moiré supercell. Scanning tunneling microscopy and X-ray photoelectron spectroscopy measurements show that a highly periodic hydrogen functionalized graphene sheet can thus be prepared by controlling the sample temperature (Ts) during hydrogen functionalization. At deposition temperatures of Ts = 645 K and above, hydrogen adsorbs exclusively on the HCP regions of the graphene/Ir(111) moiré structure. This finding is rationalized in terms of a slight preference for hydrogen clusters in the HCP regions over the FCC regions, as found by density functional theory calculations. Angle-resolved photoemission spectroscopy measurements demonstrate that the preferential functionalization of just one region of the moiré supercell results in a band gap opening with very limited associated band broadening. Thus, hydrogenation at elevated sample temperatures provides a pathway to efficient band gap engineering in graphene via the selective functionalization of specific regions of the moiré structure.
AB - Band gap engineering in hydrogen functionalized graphene is demonstrated by changing the symmetry of the functionalization structures. Small differences in hydrogen adsorbate binding energies on graphene on Ir(111) allow tailoring of highly periodic functionalization structures favoring one distinct region of the moiré supercell. Scanning tunneling microscopy and X-ray photoelectron spectroscopy measurements show that a highly periodic hydrogen functionalized graphene sheet can thus be prepared by controlling the sample temperature (Ts) during hydrogen functionalization. At deposition temperatures of Ts = 645 K and above, hydrogen adsorbs exclusively on the HCP regions of the graphene/Ir(111) moiré structure. This finding is rationalized in terms of a slight preference for hydrogen clusters in the HCP regions over the FCC regions, as found by density functional theory calculations. Angle-resolved photoemission spectroscopy measurements demonstrate that the preferential functionalization of just one region of the moiré supercell results in a band gap opening with very limited associated band broadening. Thus, hydrogenation at elevated sample temperatures provides a pathway to efficient band gap engineering in graphene via the selective functionalization of specific regions of the moiré structure.
U2 - 10.1021/acsnano.6b04671
DO - 10.1021/acsnano.6b04671
M3 - Journal article
C2 - 28024374
VL - 10
SP - 10798
EP - 10807
JO - A C S Nano
JF - A C S Nano
SN - 1936-0851
IS - 12
ER -