• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.273-277
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• 2013

We apply a density functional theory (DFT) and DFT-based non-equilibrium Green's function approach to study the electronic and transport properties of graphene nanoribbons (GNRs) co-doped with boron-nitrogen, nitrogen-phosphorus and boron-phosphorus. We analyze the structures and charge transport properties of co-doped GNRs and particularly focus on the novel effects that are absent for the single N-, B-, or P-doped GNRs. It is found that co-doped GNRs tend to be doped at the edges and the electronic structures of co-doped GNRs are very sensitive to the doping sites. Also, in case of B-N and B-P co-doped GNRs, conductance dips of single-doped GNRs disappeared with the disappearance of localized states associated with doped atoms. This may lead to a possible method of band engineering of GNRs and benefit the design of graphene electronic devices.

• Advances in nano research
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• v.7 no.3
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• pp.209-221
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• 2019

Graphene, with impressive electronic properties, have high potential in the microelectronic field. However, graphene itself is a zero bandgap material which is not suitable for digital logic gates and its application. Thus, much focus is on graphene nanoribbons (GNRs) that are narrow strips of graphene. During GNRs fabrication process, the occurrence of defects that ultimately change electronic properties of graphene is difficult to avoid. The modelling of GNRs with defects is crucial to study the non-idealities effects. In this work, nearest-neighbor tight-binding (TB) model for GNRs is presented with three main simplifying assumptions. They are utilization of basis function, Hamiltonian operator discretization and plane wave approximation. Two major edges of GNRs, armchair-edged GNRs (AGNRs) and zigzag-edged GNRs (ZGNRs) are explored. With single vacancy (SV) defects, the components within the Hamiltonian operator are transformed due to the disappearance of tight-binding energies around the missing carbon atoms in GNRs. The size of the lattices namely width and length are varied and studied. Non-equilibrium Green's function (NEGF) formalism is employed to obtain the electronics structure namely band structure and density of states (DOS) and all simulation is implemented in MATLAB. The band structure and DOS plot are then compared between pristine and defected GNRs under varying length and width of GNRs. It is revealed that there are clear distinctions between band structure, numerical DOS and Green's function DOS of pristine and defective GNRs.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.564-564
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• 2012

Graphene has been emerged as a fascinating material for future nanoelectronic applications due to its extraordinally electronic properties. However, their zero-bandgap semimetallic nature is a major problem for applications in high performance field-effect transistors (FETs). Graphene nanoribbons (GNRs) with narrow widths (${\geq}10nm$) exhibit semiconducting behavior, which can be used to overcome this problem. In previous reports, GNRs were produced by several approaches, such as electron beam lithography patterning, chemically derived GNRs, longitudinal unzipping of carbon nanotubes, and inorganic nanowire template. Using these methods, however, the width distribution of GNRs was a quiet broad and substantial defects were inevitably occurred. Here, we report a novel approach for fabricating width-tailored GNRs by focused ion beam-assisted chemical vapor deposition (FIB-CVD). Width-tailored phenanthrene ($C_{14}H_{10}$) templates for direct growth of GNRs were prepared on $SiO_2$/Si substrate by FIB-CVD. The GNRs on the templates were synthesized at $900-1,050^{\circ}C$ with introducing $CH_4$ $(20sccm)/H_2$ (10 sccm) mixture gas for 10-300 min. Structural characterizations of the GNRs were carried out using Raman spectroscopy, scanning electron microscopy, and atomic force microscopy.

• Journal of the Korean Chemical Society
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• v.58 no.6
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• pp.524-527
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• 2014

We report a simple yet efficient method to assemble large-scale aligned graphene nanoribbons (GNRs) with a width as small as 30 nm. The $V_2O_5$ nanowires (NWs) were aligned on a graphene surface via spraying a solution of the $V_2O_5$ NWs, and the graphene was selectively etched by the reactive ion etching method using the $V_2O_5$ NWs as a shadow mask. This process allowed us to prepare large scale patterns of the aligned GNRs on a $SiO_2$ substrate. The orientation of the aligned and randomly oriented GNRs was compared by the atomic force microscope (AFM) images. We achieved the highly aligned GNRs along the flow direction of the $V_2O_5$ NWs solution. Furthermore, we successfully fabricated a field effect-transistor with the aligned GNRs and measured its electrical properties. Since our method enable to prepare the aligned GNRs over a large area, it should open up new way for the various applications.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.15-15
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• 2011

Atom-thick graphene membrane and nano-sized graphene objects (NGOs) hold substantial potential for applications in future molecular-scale integrated electronics, transparent conducting membranes, nanocomposites, etc. To realize this potential, chemical properties of graphene need to be understood and diagnostic methods for various NGOs are also required. To meet these needs, chemical properties of graphene and optical diagnostics of graphene nanoribbons (GNRs) have been explored by Raman spectroscopy, AFM and STM scanning probes. The first part of the talk will illustrate the role of underlying silicon dioxide substrates and ambient gases in the ubiquitous hole doping of graphene. An STM study reveals that thermal annealing generates out-of-plane deformation of nanometer-scale wavelength and distortion in $sp^2$ bonding on an atomic scale. Graphene deformed by annealing is found to be chemically active enough to bind molecular oxygen, which leads to a strong hole-doping. The talk will also introduce Raman spectroscopy studies of GNRs which are known to have nonzero electronic bandgap due to confinement effect. GNRs of width ranging from 15 nm to 100 nm have been prepared by e-beam lithographic patterning of mechanically exfoliated graphene followed by oxygen plasma etching. Raman spectra of narrow GNRs can be characterized by upshifted G band and strong disorder-related D band originating from scattering at ribbon edges. Detailed analysis of the G, D, and 2D bands of GNRs proves that Raman spectroscopy is still a reliable tool in characterizing GNRs despite their nanometer width.

• Proceeding of EDISON Challenge
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• 2017.03a
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• pp.376-382
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• 2017

Graphene nanoribbons with zigzag-shaped edge (zGNRs) are predicted to be magnetic insulator at the ground state, attracting significant interest in view of spintronic applications [1]. On the other hand, although they are energetically and thermodynamically more favored than zGNRs [2], graphene nanoribbons with armchair-shaped edge (aGNRs) have been less spotlighted than zGNRs due to the absence of magnetism. Herein, based on the combined density functional theory (DFT) and matrix Green's function (MGF) approach, we consider aGNRs functionalized with various molecular groups, and show that the spin polarizations develop for some of the considered aGNR edge functionalization cases. The origin of the induced magnetism will be discussed within the Lieb's theorem [3]. This work will provide a novel guidance for the development of graphene-based spintronic devices.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.180.2-180.2
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• 2014

Opening a bandgap by forming graphene nanoribbons (GNRs) and tailoring their properties via doping is a promising direction to achieve graphene-based advanced electronic devices. Applying a first-principles computational approach combining density functional theory (DFT) and DFT-based non-equilibrium Green's function (NEGF) calculation, we herein study the structural, electronic, and charge transport properties of boron-nitrogen binary edge doped GNRs and show that it can achieve novel doping effects that are absent for the single B or N doping. For the armchair GNRs, we find that the B-N edge co-doping almost perfectly recovers the conductance of pristine GNRs. For the zigzag GNRs, it is found to support spatially and energetically spin-polarized currents in the absence of magnetic electrodes or external gate fields: The spin-up (spin-down) currents along the B-N undoped edge and in the valence (conduction) band edge region. This may lead to a novel scheme of graphene band engineering and benefit the design of graphene-based spintronic devices.

• Advances in nano research
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• v.14 no.1
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• pp.1-15
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• 2023

Driven by the scaling down of transistor node technology, graphene became of interest to many researchers following the success of its fabrication as graphene nanoribbons (GNRs). However, during the fabrication of GNRs, it is not uncommon to have defects within the GNR structures. Scaling down node technology also changes the modelling approach from the classical Boltzmann transport equation to the quantum transport theory because the quantum confinement effects become significant at sub-10 nanometer dimensions. The aim of this study is to examine the effect of Stone-Wales defects on the electronic properties of GNRs using a tight-binding model, based on Non-Equilibrium Green's Function (NEGF) via numeric computation methods using MATLAB. Armchair and zigzag edge defects are also implemented in the GNR structures to mimic the practical fabrication process. Electronic properties of pristine and defected GNRs of various lengths and widths were computed, including their band structure and density of states (DOS). The results show that Stone-Wales defects cause fluctuation in the band structure and increase the bandgap values for both armchair GNRs (AGNRs) and zigzag GNRs (ZGNRs) at every simulated width. In addition, Stone-Wales defects reduce the numerical computation DOS for both AGNRs and ZGNRs. However, when the lengths of the structures increase with fixed widths, the effect of the Stone-Wales defects become less significant.

• Applied Science and Convergence Technology
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• v.24 no.5
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• pp.190-195
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• 2015

Here, we demonstrated a $Pb^{2+}$ detecting aptasensor using $Pb^{2+}$-sensitive DNAzyme-conjugated gold nanorods (GNRs). Fluorescent DNA substrates that were initially quenched by GNRs, are released in response to $Pb^{2+}$ ions to give a substantial fluorescence signal. The GNR-tethered DNAzyme is reusable at least three times with a LOD of 50 nM.

• Journal of the Semiconductor & Display Technology
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• v.13 no.2
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• pp.53-56
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• 2014

In this work, we investigate the operational properties of this proposed device in detail via classical MD simulations. The bi-stability of the GNF(Graphene Nano-flake) shuttle encapsulated in bi-layer GNR could be achieved from the increase of the attractive energy between the GNRs when the GNF approached the edges of the GNRs. This result showed the potential application of the nano-electromechanical GNR memory as a NVRAM.