Molecular nanoarchitectonics: unification of nanotechnology and molecular/materials science

• Katsuhiko Ariga

Beilstein J. Nanotechnol. 2023, 14, 434–453, doi:10.3762/bjnano.14.35

• . Foster, Kawai, and co-workers have investigated the zero-bias peak at the center of an armchair-type graphene nanoribbon on a AuSix/Au(111) surface using a combination of low-temperature scanning tunneling microscopy/spectroscopy and density functional theory calculations [116]. The zero-bias peak at the

• boron site embedded at the center of the graphene nanoribbon was investigated. Si atoms were removed by vertical manipulation with a tip (Figure 5). In this manipulation, the tip was positioned at a silicon site and then moved closer to the silicon atoms while recording the tunneling current. After the

• cove-shaped two-dimensional graphene nanoribbon networks by interconnecting one-dimensional self-assembled graphene nanoribbons on a Au(111) surface [121]. The structure of the two-dimensional graphene nanoribbon network consists of hybrid junctions of graphene nanoribbons of various widths, exhibiting

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

A new photodetector structure based on graphene nanomeshes: an ab initio study

• Babak Sakkaki,
• Hassan Rasooli Saghai,
• Ghafar Darvish and
• Mehdi Khatir

Beilstein J. Nanotechnol. 2020, 11, 1036–1044, doi:10.3762/bjnano.11.88

• GNMs have both metallic and semiconducting properties depending on the arrangements of perforations. Also, absorption spectrum analysis indicates attractive infrared peaks for GNMs with semiconducting characteristics, making them better photodetectors than graphene nanoribbon (GNR)-based alternatives

• makes it suitable for optical devices. Keywords: absorption spectra; DFT calculations; graphene nanomesh; graphene nanoribbon; photodetectors; Introduction Graphene monolayers with honeycomb crystal structure have unique electrical and optical properties and have received a lot of attention recently

Effect of substitutional defects on resonant tunneling diodes based on armchair graphene and boron nitride nanoribbons lateral heterojunctions

• Majid Sanaeepur

Beilstein J. Nanotechnol. 2020, 11, 688–694, doi:10.3762/bjnano.11.56

• heterojunction; armchair boron nitride nanoribbon (ABNNR); armchair graphene nanoribbon (AGNR); negative differential resistance (NDR); nonequilibrium Green’s function (NEGF); resonant tunneling diode (RTD); substitutional defects; Introduction 2D materials have gained tremendous research interest due to the

A carrier velocity model for electrical detection of gas molecules

• Ali Hosseingholi Pourasl,
• Sharifah Hafizah Syed Ariffin,
• Mohammad Taghi Ahmadi,
• Razali Ismail and
• Niayesh Gharaei

Beilstein J. Nanotechnol. 2019, 10, 644–653, doi:10.3762/bjnano.10.64

• remarkable changes in their electrical characteristics when exposed to different gases through molecular adsorption. In this paper, the adsorption effects of the target gas molecules (CO and NO) on the electrical properties of the armchair graphene nanoribbon (AGNR)-based sensor are analytically modelled

• armchair graphene nanoribbon based field effect transistor (AGNR-FET) is used as the sensor platform. Modelling and Formalism In this study, AGNR as a 1D carbon material that contains a pair of atoms in the unit cell is incorporated with the assumption that for each carbon atom there is only one orbital

• between the proposed model and first principles method showed an acceptable agreement between the results. Therefore, the proposed models in this research can be used to develop modern sensors based on the new materials. Illustration of the gas molecule adsorption on the armchair graphene nanoribbon (AGNR

Metal-free catalysis based on nitrogen-doped carbon nanomaterials: a photoelectron spectroscopy point of view

• Mattia Scardamaglia and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2018, 9, 2015–2031, doi:10.3762/bjnano.9.191

• nanoribbon. Kim et al. compared the catalytic activity of graphitic N localized at different sites with respect to the graphene nanoribbon edge reporting. They found that the catalytically most active sites are those near the edges, the outermost graphitic or graphitic valley N atoms [112]. Their results are

• because the energy difference between the Fermi level and the unoccupied 2p orbital state in the adsorbed oxygen molecule is reduced. Furthermore, the ORR pathway in the presence of nitrogen is a four-electron reduction process, instead of the less efficient two-electron process in the pristine graphene

Recent highlights in nanoscale and mesoscale friction

• Andrea Vanossi,
• Dirk Dietzel,
• Andre Schirmeisen,
• Ernst Meyer,
• Rémy Pawlak,
• Thilo Glatzel,
• Marcin Kisiel,
• Shigeki Kawai and
• Nicola Manini

Beilstein J. Nanotechnol. 2018, 9, 1995–2014, doi:10.3762/bjnano.9.190

Review: Electrostatically actuated nanobeam-based nanoelectromechanical switches – materials solutions and operational conditions

• Liga Jasulaneca,
• Jelena Kosmaca,
• Raimonds Meija,
• Jana Andzane and
• Donats Erts

Beilstein J. Nanotechnol. 2018, 9, 271–300, doi:10.3762/bjnano.9.29

Transport characteristics of a silicene nanoribbon on Ag(110)

• Ryoichi Hiraoka,
• Chun-Liang Lin,
• Kotaro Nakamura,
• Ryo Nagao,
• Maki Kawai,
• Ryuichi Arafune and
• Noriaki Takagi

Beilstein J. Nanotechnol. 2017, 8, 1699–1704, doi:10.3762/bjnano.8.170

• preserves the electronic states localized at the edges near the Fermi level similar to the graphene nanoribbon with zigzag edges [29][30][31][32][33]. Although the electronic structure of SiNR has been studied experimentally [34][35][36], the existence of edge states remains an open question. The

Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

• Rasmus Bjerregaard Christensen,
• Jing-Tao Lü,
• Per Hedegård and
• Mads Brandbyge

Beilstein J. Nanotechnol. 2016, 7, 68–74, doi:10.3762/bjnano.7.8

• dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling

• Calculation We have calculated the electronic and phononic structure of the graphene nanoribbon from density function theory (DFT) using the SIESTA/TranSIESTA codes [25][26]. The generalized gradient approximation is used for the exchange–correlation functional, and a single-ζ polarized basis set is used for

• the carbon and hydrogen atoms. A cut-off energy of 400 Ry is used for the real-space grid. The electron-vibrational coupling is calculated using the INELASTICA package, which uses a finite difference scheme [27]. Results and Discussion The partially dehydrogenated graphene nanoribbon we considered is

High I_on/I_off current ratio graphene field effect transistor: the role of line defect

• Mohammad Hadi Tajarrod and
• Hassan Rasooli Saghai

Beilstein J. Nanotechnol. 2015, 6, 2062–2068, doi:10.3762/bjnano.6.210

• Mohammad Hadi Tajarrod Hassan Rasooli Saghai Department of Electrical Engineering, Tabriz Branch, Islamic Azad University, Tabriz, Iran 10.3762/bjnano.6.210 Abstract The present paper casts light upon the performance of an armchair graphene nanoribbon (AGNR) field effect transistor in the

• channel, which contains a 5–8–5 extended line defect in the center of the armchair graphene nanoribbon. The C–C bond lengths in the line defect are between 1.43–1.83 Å, that indicating sp2 hybridization [18]. The tight-binding model with the first nearest-neighbor approximation was used to model the

• . Conclusion In this study a comprehensive numerical analysis was conducted about graphene nanoribbon field effect transistors with extended line defects (ELD-GNRFET) based on the NEGF formalism. According to the simulation results, applying a perpendicular line defect in an AGNR channel led to the decrease of

Electron and heat transport in porphyrin-based single-molecule transistors with electro-burnt graphene electrodes

• Hatef Sadeghi,
• Sara Sangtarash and
• Colin J. Lambert

Beilstein J. Nanotechnol. 2015, 6, 1413–1420, doi:10.3762/bjnano.6.146

• the EBG electrodes, first a sufficiently high bias voltage is applied to create cracks in the naoribbon. This usually happens in the centre of the nanoribbon due to the higher temperature induced in this region [19]. This high temperature in the constricted part of the graphene nanoribbon causes the

• carbon atoms to instantaneously react with atmospheric oxygen, resulting in combustion. A feedback signal is used to impede this oxidation before the sample is destroyed. After successive repetitions of this process, the graphene nanoribbon becomes more and more narrow and finally breaks to create a

• EBG electrode. The electrode is a 3 nm wide, zigzag, semi-infinite, graphene nanoribbon terminated by oxygen and connected to a half-ellipse-like structure as shown in Figure 3a. The molecular orbital levels in the Fermi energy, EF = 0 eV, indicate that the orbitals are mostly localized in the edges

Attenuation, dispersion and nonlinearity effects in graphene-based waveguides

• Almir Wirth Lima Jr.,
• João Cesar Moura Mota and
• Antonio Sergio Bezerra Sombra

Beilstein J. Nanotechnol. 2015, 6, 1221–1228, doi:10.3762/bjnano.6.125

• pulses due to the attenuation, high-order dispersive effects and nonlinear effects. We concluded that it is possible to control the shape of the output pulses with the value of the input signal power and the chemical potential of the graphene nanoribbon. We believe that the obtained results will be

• nanophotonics waveguides, this study was focused on the simulation and analysis of the attenuation, dispersion and nonlinear effects occurring in signals propagating through a graphene-based waveguide. We considered a graphene nanoribbon located between similar dielectric layers, as will be described further

• present in the waveguide. Previous studies showed that in a graphene nanoribbon of width <50 nm, there exists only a single mode (fundamental mode) [3]. However, due to finite-size effects, when W < 10 nm, the classical theory can no longer predict the behavior of GSPPs in a graphene nanoribbon [8

Enhancing the thermoelectric figure of merit in engineered graphene nanoribbons

• Hatef Sadeghi,
• Sara Sangtarash and
• Colin J. Lambert

Beilstein J. Nanotechnol. 2015, 6, 1176–1182, doi:10.3762/bjnano.6.119

• characteristics [20]. In addition, equilibrium molecular dynamic simulations showed that hydrogen passivation of the graphene-nanoribbon edges reduces significantly the thermal conductivity [22][23]. Anti-dots in graphene, one can further reduce the phonon thermal conductivity [8]. For example, anti-dots created

• reducing the phonon contribution to thermal conductance. In what follows, we explore the electrical conductance, thermal conductance, and Seebeck and Peltier coefficients of the range of structures shown in Figure 1. These engineered graphene ribbons include: a zigzag monolayer graphene nanoribbon with

• hydrogen terminated edges (Figure 1a), a monolayer graphene nanopore with hydrogen terminated edges (Figure 1b), an AA-bilayer graphene nanoribbon (Figure 1c), an engineered bilayer graphene nanopore (Figure 1d), an AA-bilayer graphene with monolayer lead, in which the transport takes place from the top

Graphene quantum interference photodetector

• Mahbub Alam and
• Paul L. Voss

Beilstein J. Nanotechnol. 2015, 6, 726–735, doi:10.3762/bjnano.6.74

• interference (QI) photodetector was simulated in two regimes of operation. The structure consists of a graphene nanoribbon, Mach–Zehnder interferometer (MZI), which exhibits a strongly resonant transmission of electrons of specific energies. In the first regime of operation (that of a linear photodetector

• states. In this paper we investigate for the first time the interaction of light in a graphene nanoribbon MZI structure and specifically we study the coupling of light between longitudinal resonant modes for both zigzag and armchair structures. Graphene photodetectors have been studied in detail [2][3

• ) nanoribbon photodetector with applied bias in a MZI structure. In the first part, we analyze the efficiency of the coupling of light between two resonant peaks of the MZI structure in a graphene nanoribbon. Each absorbed photon produces an electron and all of the photogenerated electrons are collected at the

Numerical investigation of the effect of substrate surface roughness on the performance of zigzag graphene nanoribbon field effect transistors symmetrically doped with BN

• Majid Sanaeepur,
• Arash Yazdanpanah Goharrizi and
• Mohammad Javad Sharifi

Beilstein J. Nanotechnol. 2014, 5, 1569–1574, doi:10.3762/bjnano.5.168

• graphene nanoribbon that is symmetrically doped with boron nitride (BN) as a channel material, is numerically studied for the first time. The device merit for digital applications is investigated in terms of the on-, the off- and the on/off-current ratio. Due to the strong effect of the substrate roughness

• ; substrate roughness; zigzag graphene nanoribbon field effect transistor (ZGNRFET); Introduction Field effect transistors (FETs) with a 10 nm gate length are stipulated by the International Technology Roadmap for Semiconductors (ITRS) for the year 2020 [1]. Regarding the Si scaling limits, it is obvious

• GNRs [28]. Also the performance of armchair GNRFETs (AGNRFETs) is significantly degraded by SR [29]. In this work the device performance of symmetrically BN-doped zigzag graphene nanoribbon field effect transistors (s-BN-ZGNRFETs) is numerically studied for the first time. SiO2, BN and mica substrates

Sublattice asymmetry of impurity doping in graphene: A review

• James A. Lawlor and
• Mauro S. Ferreira

Beilstein J. Nanotechnol. 2014, 5, 1210–1217, doi:10.3762/bjnano.5.133

• leads to a same sublattice configuration for all impurities in a domain. Through density functional theory (DFT) calculations involving a graphene nanoribbon on a Cu(111) substrate, aiming to reproduce experimental conditions, a thorough investigation into the energetic favourable position of single

• dashed line shows the expected band gap scaling with concentration, according to the power 3/4 as discussed in the text. Quantum conductance through a 15 nm wide graphene nanoribbon with a 7.5 nm long scattering region containing a dispersion of substitutional nitrogen impurities, in a similar vein to

Electronic and transport properties of kinked graphene

• Jesper Toft Rasmussen,
• Tue Gunst,
• Peter Bøggild,
• Antti-Pekka Jauho and
• Mads Brandbyge

Beilstein J. Nanotechnol. 2013, 4, 103–110, doi:10.3762/bjnano.4.12

• two close-by parallel kinks form a pseudo graphene nanoribbon with similar behaviour of the electronic structure to that for isolated nanoribbons. The transmission function displays transport gap features corresponding to the isolated nanoribbon band gaps. The present work thus suggests that it may be

Graphite, graphene on SiC, and graphene nanoribbons: Calculated images with a numerical FM-AFM

• Fabien Castanié,
• Laurent Nony,
• Sébastien Gauthier and
• Xavier Bouju

Beilstein J. Nanotechnol. 2012, 3, 301–311, doi:10.3762/bjnano.3.34

• tackled FM-AFM image calculations of three types of graphitic structures, namely a graphite surface, a graphene sheet on a silicon carbide substrate with a Si-terminated surface, and finally, a graphene nanoribbon. We compared static structures, meaning that all the tip and sample atoms are kept frozen in

• temperature). This effect could be related to the local constraints of the carbon rings in the buckled graphene sheet. Graphene nanoribbon edges In the recent literature in the graphene community, there is a vivid interest in graphene nanoribbons (GNR), because one may tune their electronic structure through

• ripples of a graphene sheet relaxed on a silicon carbide substrate, and (iii) a corrugated transition of a graphene nanoribbon supported by a SiC surface. Improvements remain to be made for the prospective study of single molecule imaging and/or manipulation processes and related physical problems, such