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Formation and Structure of Graphene Waves on Fe(110)
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2012 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 109, no 2, 026101- p.Article in journal (Refereed) Published
Abstract [en]

A very rich Fe-C phase diagram makes the formation of graphene on iron surfaces a challenging task. Here we demonstrate that the growth of graphene on epitaxial iron films can be realized by chemical vapor deposition at relatively low temperatures, and that the formation of carbides can be avoided in excess of the carbon-containing precursors. The resulting graphene monolayer creates a novel periodically corrugated pattern on Fe(110). Using low-energy electron microscopy and scanning tunneling microscopy, we show that it is modulated in one dimension forming long waves with a period of similar to 4 nm parallel to the [001] direction of the substrate, with an additional height modulation along the wave crests. The observed topography of the graphene/Fe superstructure is well reproduced by density functional theory calculations, and found to result from a unique combination of the lattice mismatch and strong interfacial interaction, as probed by core-level photoemission and x-ray absorption spectroscopy.

Place, publisher, year, edition, pages
2012. Vol. 109, no 2, 026101- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-179022DOI: 10.1103/PhysRevLett.109.026101ISI: 000306324100012OAI: oai:DiVA.org:uu-179022DiVA: diva2:543103
Funder
Swedish Research CouncilEU, European Research Council
Available from: 2012-08-06 Created: 2012-08-06 Last updated: 2017-12-07Bibliographically approved
In thesis
1. Controlling Electronic and Geometrical Structure of Honeycomb-Lattice Materials Supported on Metal Substrates: Graphene and Hexagonal Boron Nitride
Open this publication in new window or tab >>Controlling Electronic and Geometrical Structure of Honeycomb-Lattice Materials Supported on Metal Substrates: Graphene and Hexagonal Boron Nitride
2013 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The present thesis is focused on various methods of controlling electronic and geometrical structure of two-dimensional overlayers adsorbed on metal surfaces exemplified by graphene and hexagonal boron nitride (h-BN) grown on transition metal (TM) substrates. Combining synchrotron-radiation-based spectroscopic and various microscopic techniques with in situ sample preparation, we are able to trace the evolution of overlayer electronic and geometrical properties in overlayer/substrate systems, as well as changes of interfacial interaction in the latter.It is shown that hydrogen uptake by graphene/TM substrate strongly depends on the interfacial interaction between substrate and graphene, and on the geometrical structure of graphene. An energy gap opening in the electronic structure of graphene on TM substrates upon patterned adsorption of atomic species is demonstrated for the case of atomic oxygen adsorption on graphene/TM’s (≥0.35 eV for graphene/Ir(111)). A non-uniform character of adsorption in this case – patterned adsorption of atomic oxygen on graphene/Ir(111) due to the graphene height modulation is verified. A moderate oxidation of graphene/Ir(111) is found largely reversible. Contrary, oxidation of h-BN/Ir(111) results in replacing nitrogen atoms in the h-BN lattice with oxygen and irreversible formation of the B2O3 oxide-like structure.     

Pronounced hole doping (p-doping) of graphene upon intercalation with active agents – halogens or halides – is demonstrated, the level of the doping is dependent on the agent electronegativity. Hole concentration in graphene on Ir(111) intercalated with Cl and Br/AlBr3 is as high as ~2×1013 cm-2 and ~9×1012 cm-2, respectively.    

Unusual periodic wavy structures are reported for h-BN and graphene grown on Fe(110) surface. The h-BN monolayer on Fe(110) is periodically corrugated in a wavy fashion with an astonishing degree of long-range order, periodicity of 2.6 nm, and the corrugation amplitude of ~0.8 Å. The wavy pattern results from a strong chemical bonding between h-BN and Fe in combination with a lattice mismatch in either [11 ̅1] or [111 ̅] direction of the Fe(110) surface. Two primary orientations of h-BN on Fe(110) can be observed corresponding to the possible directions of lattice match between h-BN and Fe(110).    

Chemical vapor deposition (CVD) formation of graphene on iron is a formidable task because of high carbon solubility in iron and pronounced reactivity of the latter, favoring iron carbide formation. However, growth of graphene on epitaxial iron films can be realized by CVD at relatively low temperatures, and the formation of carbides can be avoided in excess of the carbon-containing precursors. The resulting graphene monolayer creates a periodically corrugated pattern on Fe(110): it is modulated in one dimension forming long waves with a period of ~4 nm parallel to the [001] direction of the substrate, with an additional height modulation along the wave crests. The novel 1D templates based on h-BN and graphene adsorbed on iron can possibly find an application in 1D nanopatterning. The possibility for growing high-quality graphene on iron substrate can be useful for the low-cost industrial-scale graphene production.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2013. 103 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1019
Keyword
graphene, h-BN, electronic structure, adsorption, doping, nano-templates, PES, NEXAFS, LEEM, STM
National Category
Condensed Matter Physics
Research subject
Physics with spec. in Atomic, Molecular and Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-194089 (URN)978-91-554-8598-6 (ISBN)
Public defence
2013-04-05, Häggsalen, Ångström Laboratory, Lägerhyddsvägen 1, Uppsala, 10:15 (English)
Opponent
Supervisors
Available from: 2013-03-13 Created: 2013-02-08 Last updated: 2013-03-22Bibliographically approved
2. Theory and Modelling of Functional Materials
Open this publication in new window or tab >>Theory and Modelling of Functional Materials
2015 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The diverse field of material research has been steadily expanding with a great help from computational physics, especially in the investigation of the fundamental properties of materials. This has driven the computational physics to become one of the main branches of physics, allowing for density functional theory (DFT) to develop as one of the cornerstones of material research. Nowdays, DFT is the method of choice in a great variety of studies, from fundamental properties, to materials modelling and searching for new materials. In this thesis, DFT is employed for the study of a small part of this vast pool of applications. Specifically, the microscopic characteristics of Zn1-xCdxS alloys are studied by looking into the evolution of the local structure. In addition, the way to model the growth of graphene on Fe(110) surface is discussed. The structural stability of silicon nanocrystals with various shapes is analysed in detail, as well.

DFT is further used in studying different properties of semiconductor nanocrystals. The size evolution of the character of the band gap in silicon nanocrystals is investigated in terms of changes in the character of the states around the band gap. The influence of various surface impurities on the band gap, as well as on the electronic and optical properties of silicon nanocrystals is further studied. In addition, the future use of silicon nanocrystals in photovoltaic devices is examined by studying the band alignment and the charge densities of silicon nanocrystals embedded in a silicon carbide matrix. Furthermore, the electronic and optical properties of different semiconductor nanocrystals is also investigated. In the case of the CdSe/CdS and CdS/ZnS core-shell nanocrystals the influence of the nanocrystal size and different structural models on their properties is analysed. For silicon nanocrystal capped with organic ligands, the changes in the optical properties and lifetimes is thoroughly examined with changes in the type of organic ligand.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2015. 93 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1247
Keyword
nanocrystals, graphene, alloys, density functional theory, optical properties, electronic properties, core-shell structures, semiconductors
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-248513 (URN)978-91-554-9231-1 (ISBN)
Public defence
2015-05-27, Å10132 (Häggsalen), Ångström Laboratory, Lägerhydddsvägen 1, Uppsala, 13:30 (English)
Opponent
Supervisors
Available from: 2015-05-05 Created: 2015-03-30 Last updated: 2015-07-07

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Publisher's full texthttp://prl.aps.org/abstract/PRL/v109/i2/e026101

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Vinogradov, Nikolay A.Kocevski, VanchoRusz, JanEriksson, Olle

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