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Register a new userElectronic Structure Evolution during the Growth of Graphene Nanoribbons on Au(110)
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Surface-assisted polymerization of molecular monomers into extended chains can be used as the seed of graphene nanoribbon (GNR) formation, resulting from a subsequent cyclo-dehydrogenation process. By means of valence-band photoemission and ab-initio density-functional theory (DFT) calculations, we investigate the evolution of molecular states from monomer 10,10-dibromo-9,9bianthracene (DBBA) precursors to polyanthryl polymers, and eventually to GNRs, as driven by the Au(110) surface. The molecular orbitals and the energy level alignment at the metal-organic interface are studied in depth for the DBBA precursors deposited at room temperature. On this basis, we can identify a spectral fingerprint of C-Au interaction in both DBBA single-layer and polymerized chains obtained upon heating. Furthermore, DFT calculations help us evidencing that GNRs interact more strongly than DBBA and polyanthryl with the Au(110) substrate, as a result of their flatter conformation.
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The direct growth of graphene on semiconducting or insulating substrates might help to overcome main drawbacks of metal-based synthesis, like metal-atom contaminations of graphene, transfer issues, etc. Here we present the growth of graphene on n-doped semiconducting Ge(110) by using an atomic carbon source and the study of the structural and electronic properties of the obtained interface. We found that graphene interacts weakly with the underlying Ge(110) substrate that keeps graphenes electronic structure almost intact promoting this interface for future graphene-semiconductor applications. The effect of dopants in Ge on the electronic properties of graphene is also discussed.
The implementation of graphene in semiconducting technology requires the precise knowledge about the graphene-semiconductor interface. In our work the structure and electronic properties of the graphene/$n$-Ge(110) interface are investigated on the local (nm) and macro (from $mumathrm{m}$ to mm) scales via a combination of different microscopic and spectroscopic surface science techniques accompanied by density functional theory calculations. The electronic structure of freestanding graphene remains almost completely intact in this system, with only a moderate $n$-doping indicating weak interaction between graphene and the Ge substrate. With regard to the optimization of graphene growth it is found that the substrate temperature is a crucial factor, which determines the graphene layer alignment on the Ge(110) substrate during its growth from the atomic carbon source. Moreover, our results demonstrate that the preparation routine for graphene on the doped semiconducting material ($n$-Ge) leads to the effective segregation of dopants at the interface between graphene and Ge(110). Furthermore, it is shown that these dopant atoms might form regular structures at the graphene/Ge interface and induce the doping of graphene. Our findings help to understand the interface properties of the graphene-semiconductor interfaces and the effect of dopants on the electronic structure of graphene in such systems.
We present electronic structure calculations of few-layer epitaxial graphene nanoribbons on SiC(0001). Trough an atomistic description of the graphene layers and the substrate within the extended H{u}ckel Theory and real/momentum space projections we argue that the role of the heterostructures interface becomes crucial for the conducting capacity of the studied systems. The key issue arising from this interaction is a Fermi level pinning effect introduced by dangling interface bonds. Such phenomenon is independent from the width of the considered nanostructures, compromising the importance of confinement in these systems.
In this paper, we apply the first-principle theory to explore how the electronic structures of armchair graphene nanoribbons (AGNRs) are affected by chemical modifications. The edge addends include H, F, N, NH$_{2}$, and NO$_{2}$. Our theoretical results show that the energy gaps are highly tunable by controlling the widths of AGNRs and addends. The most interesting finding is that N-passivated AGNRs with various widths are metallic due to the unique electronic features of N-N bonds. This property change of AGNRs (from semiconducting to metallic) is important in developing graphene-based devices.
Contributing to the need of new graphene nanoribbon (GNR) structures that can be synthesized with atomic precision, we have designed a reactant that renders chiral (3,1) - GNRs after a multi-step reaction including Ullmann coupling and cyclodehydrogenation. The nanoribbon synthesis has been successfully proved on different coinage metals, and the formation process, together with the fingerprints associated to each reaction step, has been studied combining scanning tunnelling microscopy, core-level spectroscopy and density functional calculations. In addition to the GNR chiral edge structure, the substantial GNR lengths achieved and the low processing temperature required to complete the reaction grant this reactant extremely interesting properties for potential applications.
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