Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene

Jakob Holm Jørgensen; Antonija Grubisic Cabo; Richard Balog; Line Kyhl Hansen; Michael N. Groves; Andrew Martin Cassidy; Albert Bruix; Marco Bianchi; Maciej Dendzik; Mohammad Alif Arman; Lutz Lammich; José Ignacio Pascual; Jan Knudsen; Bjørk Hammer; Philip Hofmann; Liv Hornekaer

doi:10.1021/acsnano.6b04671

Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene

Jakob Holm Jørgensen, Antonija Grubisic Cabo, Richard Balog, Line Kyhl Hansen, Michael N. Groves, Andrew Martin Cassidy, Albert Bruix, Marco Bianchi, Maciej Dendzik, Mohammad Alif Arman, Lutz Lammich, José Ignacio Pascual, Jan Knudsen, Bjørk Hammer, Philip Hofmann, Liv Hornekaer

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Abstract

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.

Original language	English
Journal	A C S Nano
Volume	10
Issue	12
Pages (from-to)	10798-10807
Number of pages	10
ISSN	1936-0851
DOIs	https://doi.org/10.1021/acsnano.6b04671
Publication status	Published - 2016

Keywords

Ir(111)
STM
band gap engineering
functionalization
graphene
hydrogen
photoemission spectroscopy

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10.1021/acsnano.6b04671

2016_Jørgensen_ACSNano_10_10798Final published version, 2.01 MBLicence: Unspecified

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Jørgensen, J. H., Grubisic Cabo, A., Balog, R., Hansen, L. K., Groves, M. N., Cassidy, A. M., Bruix, A., Bianchi, M., Dendzik, M., Arman, M. A., Lammich, L., Pascual, J. I., Knudsen, J., Hammer, B., Hofmann, P., & Hornekaer, L. (2016). Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene. A C S Nano, 10(12), 10798-10807. https://doi.org/10.1021/acsnano.6b04671

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title = "Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene",

abstract = "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 moir{\'e} 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) moir{\'e} 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 moir{\'e} 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 moir{\'e} structure.",

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doi = "10.1021/acsnano.6b04671",

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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.

KW - Ir(111)

KW - STM

KW - band gap engineering

KW - functionalization

KW - graphene

KW - hydrogen

KW - photoemission spectroscopy

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JO - A C S Nano

JF - A C S Nano

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Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene

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