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Sample records for zigzag edged graphene

  1. Magnetotransport Properties of Graphene Nanoribbons with Zigzag Edges

    NASA Astrophysics Data System (ADS)

    Wu, Shuang; Liu, Bing; Shen, Cheng; Li, Si; Huang, Xiaochun; Lu, Xiaobo; Chen, Peng; Wang, Guole; Wang, Duoming; Liao, Mengzhou; Zhang, Jing; Zhang, Tingting; Wang, Shuopei; Yang, Wei; Yang, Rong; Shi, Dongxia; Watanabe, Kenji; Taniguchi, Takashi; Yao, Yugui; Wang, Weihua; Zhang, Guangyu

    2018-05-01

    The determination of the electronic structure by edge geometry is unique to graphene. In theory, an evanescent nonchiral edge state is predicted at the zigzag edges of graphene. Up to now, the approach used to study zigzag-edged graphene has mostly been limited to scanning tunneling microscopy. The transport properties have not been revealed. Recent advances in hydrogen plasma-assisted "top-down" fabrication of zigzag-edged graphene nanoribbons (Z-GNRs) have allowed us to investigate edge-related transport properties. In this Letter, we report the magnetotransport properties of Z-GNRs down to ˜70 nm wide on an h -BN substrate. In the quantum Hall effect regime, a prominent conductance peak is observed at Landau ν =0 , which is absent in GNRs with nonzigzag edges. The conductance peak persists under perpendicular magnetic fields and low temperatures. At a zero magnetic field, a nonlocal voltage signal, evidenced by edge conduction, is detected. These prominent transport features are closely related to the observable density of states at the hydrogen-etched zigzag edge of graphene probed by scanning tunneling spectroscopy, which qualitatively matches the theoretically predicted electronic structure for zigzag-edged graphene. Our study gives important insights for the design of new edge-related electronic devices.

  2. Sensory Organ Like Response of Zigzag Edge Graphene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Shenoy, Vijay; Bhowmick, Somnath

    2011-03-01

    Using a continuum Dirac theory, we study the density and spin response of zigzag edge terminated graphene ribbons subjected to edge potentials and Zeeman fields. Our analytical calculations of the density and spin responses of the closed system (fixed particle number) to the static edge fields, show a highly nonlinear Weber-Fechner type behavior where the response depends logarithmically on the edge potential. The dependence of the response on the size of the system (e.g.~width of a nanoribbon) is also uncovered. Zigzag edge graphene nanoribbons, therefore, provide a realization of response of organs such as the eye and ear that obey Weber-Fechner law. We validate our analytical results with tight binding calculations. These results are crucial in understanding important effects of electron-electron interactions in graphene nanoribbons such as edge magnetism etc., and also suggest possibilities for device applications of graphene nanoribbons. Work supported by DST, India through MONAMI and Ramanujan grants.

  3. Capacity improvement of the carbon-based electrochemical capacitor by zigzag-edge introduced graphene

    NASA Astrophysics Data System (ADS)

    Tamura, Naoki; Tomai, Takaaki; Oka, Nobuto; Honma, Itaru

    2018-01-01

    The electrochemical properties of graphene edge has been attracted much attention. Especially, zigzag edge has high electrochemical activity because neutral radical exits on edge. However, due to a lack of efficient production method for zigzag graphene, the electrochemical properties of zigzag edge have not been experimentally demonstrated and the capacitance enhancement of carbonaceous materials in energy storage devices by the control in their edge states is still challenge. In this study, we fabricated zigzag-edge-rich graphene by a one-step method combining graphene exfoliation in supercritical fluid and anisotropic etching by catalytic nanoparticles. This efficient production of zigzag-edge-rich graphene allows us to investigate the electrochemical activity of zigzag edge. By cyclic voltammetry, we revealed the zigzag edge-introduced graphene exhibited unique redox reaction in aqueous acid solution. Moreover, by the calculation on the density function theory (DFT), this unique redox potential for zigzag edge-introduced graphene can be attributed to the proton-insertion/-extraction reactions at the zigzag edge. This finding indicates that the graphene edge modification can contribute to the further increase in the capacitance of the carbon-based electrochemical capacitor.

  4. Patterning monolayer graphene with zigzag edges on hexagonal boron nitride by anisotropic etching

    SciTech Connect

    Wang, Guole; Wu, Shuang; Zhang, Tingting

    2016-08-01

    Graphene nanostructures are potential building blocks for nanoelectronic and spintronic devices. However, the production of monolayer graphene nanostructures with well-defined zigzag edges remains a challenge. In this paper, we report the patterning of monolayer graphene nanostructures with zigzag edges on hexagonal boron nitride (h-BN) substrates by an anisotropic etching technique. We found that hydrogen plasma etching of monolayer graphene on h-BN is highly anisotropic due to the inert and ultra-flat nature of the h-BN surface, resulting in zigzag edge formation. The as-fabricated zigzag-edged monolayer graphene nanoribbons (Z-GNRs) with widths below 30 nm show high carrier mobility and width-dependent energy gaps atmore » liquid helium temperature. These high quality Z-GNRs are thus ideal structures for exploring their valleytronic or spintronic properties.« less

  5. Enhancement of thermoelectric figure of merit in zigzag graphene nanoribbons with periodic edge vacancies

    NASA Astrophysics Data System (ADS)

    Kolesnikov, D. V.; Sadykova, O. G.; Osipov, V. A.

    2017-06-01

    The influence of periodic edge vacancies and antidot arrays on the thermoelectric properties of zigzag graphene nanoribbons (ZGNRs) are investigated. Using Green’s function method, the tight-binding approximation for the electron Hamiltonian and the 4th nearest neighbor approximation for the phonon dynamical matrix, we calculate the Seebeck coefficient and the thermoelectric figure of merit. It is found that, at a certain periodic arrangement of vacancies on both edges of zigzag nanoribbon, a finite band gap opens and almost twofold degenerate energy levels appear. As a result, a marked increase in the Seebeck coefficient takes place. It is shown that an additional enhancement of the thermoelectric figure of merit can be achieved by a combination of periodic edge defects with an antidot array.

  6. Origin of spin polarization in an edge boron doped zigzag graphene nanoribbon: a potential spin filter.

    PubMed

    Chakrabarty, Soubhik; Wasey, A H M Abdul; Thapa, Ranjit; Das, G P

    2018-08-24

    To realize a graphene based spintronic device, the prime challenge is to control the electronic structure of edges. In this work we find the origin of the spin filtering property in edge boron doped zigzag graphene nanoribbons (ZGNRs) and provide a guide to preparing a graphene based next-generation spin filter based device. Here, we unveil the role of orbitals (p-electron) to tune the electronic, magnetic and transport properties of edge B doped ZGNRs. When all the edge carbon atoms at one of the edges of ZGNRs are replaced by B (100% edge B doping), the system undergoes a semiconductor to metal transition. The role of passivation of the edge with single/double atomic hydrogen on the electronic properties and its relation with the p-electron is correlated in-depth. 50% edge B doped ZGNRs (50% of the edge C atoms at one of the edges are replaced by B) also show half-metallicity when the doped edge is left unpassivated. The half-metallic systems show 100% spin filtering efficiency for a wide range of bias voltages. Zero-bias transmission function of the other configurations shows asymmetric behavior for the up and down spin channels, thereby indicating their possible application potential in nano-spintronics.

  7. Effects of edge magnetism on the Kohn anomalies of zigzag graphene nanoribbons.

    PubMed

    Culchac, F J; Capaz, Rodrigo B

    2016-02-12

    The effects of edge magnetism on the Kohn anomaly (KA) of the G-band phonons of zigzag graphene nanoribbons (ZGNRs) are studied using a combination of the tight-binding and mean-field Hubbard models. We show that the opening of an energy gap, induced by magnetic ordering, significantly changes the KA effects, particularly for narrow ribbons in which the gap is larger than the phonon energy. Therefore, the G-band phonon frequency and lifetime are altered for a magnetically-ordered edge state with respect to an unpolarized edge state. The effects of temperature, ZGNR width, doping and transverse electric fields are systematically investigated. We propose using this effect to probe the magnetic order of edge states in graphene nanoribbons using Raman spectroscopy.

  8. Effect of edge defects on band structure of zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Wadhwa, Payal; Kumar, Shailesh; Dhilip Kumar, T. J.; Shukla, Alok; Kumar, Rakesh

    2018-04-01

    In this article, we report band structure studies of zigzag graphene nanoribbons (ZGNRs) on introducing defects (sp3 hybridized carbon atoms) in different concentrations at edges by varying the ratio of sp3 to sp2 hybridized carbon atoms. On the basis of theoretical analyses, bandgap values of ZGNRs are found to be strongly dependent on the relative arrangement of sp3 to sp2 hybridized carbon atoms at the edges for a defect concentration; so the findings would greatly help in understanding the bandgap of nanoribbons for their electronic applications.

  9. Phonon stiffen and soften at zigzag- and armchair-dominated edges of exfoliated bilayer graphene ribbon presented by Raman spectra

    NASA Astrophysics Data System (ADS)

    Xia, Minggang; Zhou, Xiaohua; Xin, Duqiang; Xu, Qiang

    2018-01-01

    The Raman spectra at the edge of the exfoliated bilayer graphene ribbon (GR) were investigated in detail. Results show that both G and 2D phonons stiffen (wave number increases) at zigzag-dominated edge, while they soften at armchair-dominated edge compared with those at the middle position in the GR. Furthermore, the full widths at half maximum intensity of both G and 2D Raman peaks narrow at the zigzag-dominated edge, while they broaden at the armchair-dominated edge. The stiffness and softness are attributed to the C-C bonds at the edge. For zigzag-dominated edge, the stiffness may originate in the increase of the force constant induced by the shrinking of C-C bond. For armchair-dominated edge, the softness may be due to the decrease of the force constant induced by the unsaturated hanging bonds at edge, which is different from Kohn anomaly and charge doping. The analysis is in agreement well with others calculation results about C-C bonds and the edge energy. These results may be useful to understand physical properties at the bilayer graphene edge and for applications in the device by taking advantage of the edge states in bilayer graphene.

  10. First principles study on the electronic structures and transport properties of armchair/zigzag edge hybridized graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Yi, Xiuying; Long, Mengqiu; Liu, Anhua; Li, Mingjun; Xu, Hui

    2018-05-01

    Graphene nanoribbons (GNRs) can be mainly classified into armchair graphene nanoribbons (aGNRs) and zigzag graphene nanoribbons (zGNRs) by different edge chiral directions. In this work, by introducing Stone-Wales defects on the edges of the V-shaped aGNRs, we propose a kind of armchair/zigzag edge hybridized GNRs (a/zHGNRs) and using the density functional theory and the nonequilibrium Green's function method, the band structures and electronic transport properties of the a/zHGNRs have been calculated. Our results show that an indirect bandgap appears in the band structures of the a/zHGNRs, which is very different from the direct bandgap of aGNRs and gapless of zGNRs. We also find that the valance band is mainly derived from the armchair partial atoms on the hybridized edge, while the conduction band comes mainly from the zigzag partial atoms of the hybridized edge. Meanwhile, the bandgap also oscillates with a period of three when the ribbon width increases. In addition, our quantum transport calculations show that there is a remarkable transition between the semiconductor and the metal with different ribbon widths in the a/zHGNRs devices, and the corresponding physical analysis is given.

  11. Investigating the edge state of graphene nanoribbons by a chemical approach: Synthesis and magnetic properties of zigzag-edged nanographene molecules

    NASA Astrophysics Data System (ADS)

    Konishi, Akihito; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi

    2013-12-01

    The edge state, which is a peculiar magnetic state in zigzag-edged graphene nanoribbons (GNRs) originating from an electron-electron correlation in an edge-localized π-state, has promising applications for magnetic and spintronics devices and has attracted much attention of physicists, chemists, and engineers. For deeper understanding the edge state, precise fabrication of edge structures in GNRs has been highly demanded. We focus on [a.b]periacene, which are polycyclic aromatic hydrocarbons (PAHs) that have zigzag and armchair edges on molecular periphery, as a model compound for the understanding and actually prepare and characterize them. This review summarizes our recent studies on the origin of the edge state by investigating [a.b]periacene in terms of the relationship between the molecular structure and spin-localizing character.

  12. Low resistivity of graphene nanoribbons with zigzag-dominated edge fabricated by hydrogen plasma etching combined with Zn/HCl pretreatment

    NASA Astrophysics Data System (ADS)

    Liu, Fengkui; Li, Qi; Wang, Rubing; Xu, Jianbao; Hu, Junxiong; Li, Weiwei; Guo, Yufen; Qian, Yuting; Deng, Wei; Ullah, Zaka; Zeng, Zhongming; Sun, Mengtao; Liu, Liwei

    2017-11-01

    Graphene nanoribbons (GNRs) have attracted intensive research interest owing to their potential applications in high performance graphene-based electronics. However, the deterioration of electrical performance caused by edge disorder is still an important obstacle to the applications. Here, we report the fabrication of low resistivity GNRs with a zigzag-dominated edge through hydrogen plasma etching combined with the Zn/HCl pretreatment method. This method is based on the anisotropic etching properties of hydrogen plasma in the vicinity of defects created by sputtering zinc (Zn) onto planar graphene. The polarized Raman spectra measurement of GNRs exhibits highly polarization dependence, which reveals the appearance of the zigzag-dominated edge. The as-prepared GNRs exhibit high carrier mobility (˜1332.4 cm2 v-1 s-1) and low resistivity (˜0.7 kΩ) at room temperature. Particularly, the GNRs can carry large current density (5.02 × 108 A cm-2) at high voltage (20.0 V) in the air atmosphere. Our study develops a controllable method to fabricate zigzag edge dominated GNRs for promising applications in transistors, sensors, nanoelectronics, and interconnects.

  13. Negative differential resistance and rectification effects in zigzag graphene nanoribbon heterojunctions: Induced by edge oxidation and symmetry concept

    NASA Astrophysics Data System (ADS)

    Nazirfakhr, Maryam; Shahhoseini, Ali

    2018-03-01

    By applying non-equilibrium Green's functions (NEGF) in combination with tight-binding (TB) model, we investigate and compare the electronic transport properties of H-terminated zigzag graphene nanoribbon (H/ZGNR) and O-terminated ZGNR/H-terminated ZGNR (O/ZGNR-H/ZGNR) heterostructure under finite bias. Moreover, the effect of width and symmetry on the electronic transport properties of both models is also considered. The results reveal that asymmetric H/ZGNRs have linear I-V characteristics in whole bias range, but symmetric H-ZGNRs show negative differential resistance (NDR) behavior which is inversely proportional to the width of the H/ZGNR. It is also shown that the I-V characteristic of O/ZGNR-H/ZGNR heterostructure shows a rectification effect, whether the geometrical structure is symmetric or asymmetric. The fewer the number of zigzag chains, the bigger the rectification ratio. It should be mentioned that, the rectification ratios of symmetric heterostructures are much bigger than asymmetric one. Transmission spectrum, density of states (DOS), molecular projected self-consistent Hamiltonian (MPSH) and molecular eigenstates are analyzed subsequently to understand the electronic transport properties of these ZGNR devices. Our findings could be used in developing nanoscale rectifiers and NDR devices.

  14. FAST TRACK COMMUNICATION: Preferential functionalization on zigzag graphene nanoribbons: first-principles calculations

    NASA Astrophysics Data System (ADS)

    Lee, Hoonkyung

    2010-09-01

    We investigate the functionalization of functional groups to graphene nanoribbons with zigzag and armchair edges using first-principles calculations. We find that the formation energy for the configuration of the functional groups functionalized to the zigzag edge is ~ 0.2 eV per functional group lower than that to the armchair edge. The formation energy difference arises from a structural deformation on the armchair edge by the functionalization whereas there is no structural deformation on the zigzag edge. Selective functionalization on the zigzag edge takes place at a condition of the temperature and the pressure of ~ 25 °C and 10 - 5 atm. Our findings show that selective functionalization can offer the opportunity for an approach to the separation of zigzag graphene nanoribbons with their solubility change.

  15. Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons

    SciTech Connect

    Yang, Xi-Feng; Zhou, Wen-Qian; Hong, Xue-Kun

    2015-01-14

    Ab initio calculations combining density-functional theory and nonequilibrium Green’s function are performed to investigate the effects of either single B atom or single N atom dopant in zigzag-edged graphene nanoribbons (ZGNRs) with the ferromagnetic state on the spin-dependent transport properties and thermospin performances. A spin-up (spin-down) localized state near the Fermi level can be induced by these dopants, resulting in a half-metallic property with 100% negative (positive) spin polarization at the Fermi level due to the destructive quantum interference effects. In addition, the highly spin-polarized electric current in the low bias-voltage regime and single-spin negative differential resistance in the highmore » bias-voltage regime are also observed in these doped ZGNRs. Moreover, the large spin-up (spin-down) Seebeck coefficient and the very weak spin-down (spin-up) Seebeck effect of the B(N)-doped ZGNRs near the Fermi level are simultaneously achieved, indicating that the spin Seebeck effect is comparable to the corresponding charge Seebeck effect.« less

  16. All-zigzag graphene nanoribbons for planar interconnect application

    NASA Astrophysics Data System (ADS)

    Chen, Po-An; Chiang, Meng-Hsueh; Hsu, Wei-Chou

    2017-07-01

    A feasible "lightning-shaped" zigzag graphene nanoribbon (ZGNR) structure for planar interconnects is proposed. Based on the density functional theory and non-equilibrium Green's function, the electron transport properties are evaluated. The lightning-shaped structure increases significantly the conductance of the graphene interconnect with an odd number of zigzag chains. This proposed technique can effectively utilize the linear I-V characteristic of asymmetric ZGNRs for interconnect application. Variability study accounting for width/length variation and the edge effect is also included. The transmission spectra, transmission eigenstates, and transmission pathways are analyzed to gain the physical insights. This lightning-shaped ZGNR enables all 2D material-based devices and circuits on flexible and transparent substrates.

  17. The opposite induced magnetic moment in narrow zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Liu, Hong; Hu, Bian; Liu, Na

    2016-11-01

    Based on the analysis of band structure and edge states on zigzag graphene nanoribbons (ZGNRs), we can study theoretically the origination of two minimal quantum conductance. At the two energy points - 0.20 eV and 0.15 eV corresponding to the two dips of quantum conductance, the spin-polarized quantum conductance is about 45%. Furthermore, the two types of edge-localized carriers in the opposite transport directions along the two opposite edge sides form the quantum internal loop current, which can generate one big magnetic moment. At these two energy points - 0.17 eV and 0.15 eV the two induced magnetic moments are in opposite signals.

  18. A structural and electronic comparison of armchair and zigzag epitaxial graphene sidewall nanoribbons

    NASA Astrophysics Data System (ADS)

    Nevius, Meredith; Wang, F.; Palacio, I.; Celis, A.; Tejeda, A.; Taleb-Ibrahimi, A.; de Heer, W.; Berger, C.; Conrad, E.

    2014-03-01

    Graphene grown on sidewalls of trenches etched in SiC shows particular promise as a candidate for post-Si CMOS electronics because of its ballistic transport, exceptional mobilities, low intrinsic doping, and the opening of a large band gap. However, before definitive progress can be made toward epitaxial graphene-based transistors, we must fully understand the nuances of graphene ribbon growth on different SiC facets. We have now confirmed that sidewall ribbons grown in graphene's two primary crystallographic directions (``armchair'' and ``zigzag'') differ greatly in both structure and electronic band-structure. We present data from both geometries obtained using low-energy electron microscopy (LEEM), low-energy electron diffraction (LEED), angle-resolved photoemission spectroscopy (ARPES), photoemission electron microscopy (PEEM), micro-ARPES and dark-field micro-ARPES. We demonstrate that while graphene grows on stable facets of trenches oriented for armchair edge growth, trenches oriented for zigzag edge growth prefer narrow ribbons of graphene on the (0001) surface near the trench edge. The structure of these zigzag edge graphene ribbons is complex and paramount to understanding their transport. This work was supported by the NSF under grants DMR-1005880 and DMR-0820382, the W. M. Keck Foundation and the Partner University Fund from the Embassy of France

  19. Width-Tuned Magnetic Order Oscillation on Zigzag Edges of Honeycomb Nanoribbons.

    PubMed

    Chen, Wen-Chao; Zhou, Yuan; Yu, Shun-Li; Yin, Wei-Guo; Gong, Chang-De

    2017-07-12

    Quantum confinement and interference often generate exotic properties in nanostructures. One recent highlight is the experimental indication of a magnetic phase transition in zigzag-edged graphene nanoribbons at the critical ribbon width of about 7 nm [ Magda , G. Z. et al. Nature 2014 , 514 , 608 ]. Here we show theoretically that with further increase in the ribbon width, the magnetic correlation of the two edges can exhibit an intriguing oscillatory behavior between antiferromagnetic and ferromagnetic, driven by acquiring the positive coherence between the two edges to lower the free energy. The oscillation effect is readily tunable in applied magnetic fields. These novel properties suggest new experimental manifestation of the edge magnetic orders in graphene nanoribbons and enhance the hopes of graphene-like spintronic nanodevices functioning at room temperature.

  20. Width-Tuned Magnetic Order Oscillation on Zigzag Edges of Honeycomb Nanoribbons

    DOE PAGES

    Chen, Wen-Chao; Zhou, Yuan; Yu, Shun-Li; ...

    2017-06-24

    Quantum confinement and interference often generate exotic properties in nanostructures. One recent highlight is the experimental indication of a magnetic phase transition in zigzag-edged graphene nanoribbons at the critical ribbon width of about 7 nm [Magda, G. Z. et al. Nature 2014, 514, 608]. Here in this work, we show theoretically that with further increase in the ribbon width, the magnetic correlation of the two edges can exhibit an intriguing oscillatory behavior between antiferromagnetic and ferromagnetic, driven by acquiring the positive coherence between the two edges to lower the free energy. The oscillation effect is readily tunable in applied magneticmore » fields. In conclusion, these novel properties suggest new experimental manifestation of the edge magnetic orders in graphene nanoribbons and enhance the hopes of graphene-like spintronic nanodevices functioning at room temperature.« less

  1. Energetics of edge oxidization of graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Yasuma, Airi; Yamanaka, Ayaka; Okada, Susumu

    2018-06-01

    On the basis of the density functional theory, we studied the geometries and energetics of O atoms adsorbed on graphene edges for simulating the initial stage of the edge oxidization of graphene. Our calculations showed that oxygen atoms are preferentially adsorbed onto the graphene edges with the zigzag portion, resulting in a large adsorption energy of about 5 eV. On the other hand, the edges with armchair shape are rarely oxidized, or the oxidization causes substantial structural reconstructions, because of the stable covalent bond at the armchair edge with the triple bond nature. Furthermore, the energetics sensitively depends on the edge angles owing to the inhomogeneity of the charge density at the edge atomic sites.

  2. Ab initio study of gold-doped zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Srivastava, Pankaj; Dhar, Subhra; Jaiswal, Neeraj K.

    2014-12-01

    The electronic transport properties of zigzag graphene nanoribbons (ZGNRs) through covalent functionalization of gold (Au) atoms is investigated by using non-equilibrium Green's function combined with density functional theory. It is revealed that the electronic properties of Au-doped ZGNRs vary significantly due to spin and its non-inclusion. We find that the DOS profiles of Au-adsorbed ZGNR due to spin reveal very less number of states available for conduction, whereas non-inclusion of spin results in higher DOS across the Fermi level. Edge Au-doped ribbons exhibit stable structure and are energetically more favorable than the center Au-doped ZGNRs. Though the chemical interaction at the ZGNR-Au interface modifies the Fermi level, Au-adsorbed ZGNR reveals semimetallic properties. A prominent qualitative change of the I-V curve from linear to nonlinear is observed as the Au atom shifts from center toward the edges of the ribbon. Number of peaks present near the Fermi level ensures conductance channels available for charge transport in case of Au-center-substituted ZGNR. We predict semimetallic nature of the Au-adsorbed ZGNR with a high DOS peak distributed over a narrow energy region at the Fermi level and fewer conductance channels. Our calculations for the magnetic properties predict that Au functionalization leads to semiconducting nature with different band gaps for spin up and spin down. The outcomes are compared with the experimental and theoretical results available for other materials.

  3. Formation of Stone-Wales edge: Multistep reconstruction and growth mechanisms of zigzag nanographene.

    PubMed

    Dang, Jing-Shuang; Wang, Wei-Wei; Zheng, Jia-Jia; Nagase, Shigeru; Zhao, Xiang

    2017-10-05

    Although the existence of Stone-Wales (5-7) defect at graphene edge has been clarified experimentally, theoretical study on the formation mechanism is still imperfect. In particular, the regioselectivity of multistep reactions at edge (self-reconstruction and growth with foreign carbon feedstock) is essential to understand the kinetic behavior of reactive boundaries but investigations are still lacking. Herein, by using finite-sized models, multistep reconstructions and carbon dimer additions of a bared zigzag edge are introduced using density functional theory calculations. The zigzag to 5-7 transformation is proved as a site-selective process to generate alternating 5-7 pairs sequentially and the first step with largest barrier is suggested as the rate-determining step. Conversely, successive C 2 insertions on the active edge are calculated to elucidate the formation of 5-7 edge during graphene growth. A metastable intermediate with a triple sequentially fused pentagon fragment is proved as the key structure for 5-7 edge formation. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  4. Electronic structure and electric polarity of edge-functionalized graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Taira, Remi; Yamanaka, Ayaka; Okada, Susumu

    2017-08-01

    On the basis of the density functional theory combined with the effective screening medium method, we studied the electronic structure of graphene nanoribbons with zigzag edges, which are terminated by functional groups. The work function of the nanoribbons is sensitive to the functional groups. The edge state inherent in the zigzag edges is robust against edge functionalization. OH termination causes the injection of electrons into the nearly free electron states situated alongside the nanoribbons, resulting in the formation of free electron channels outside the nanoribbons. We also demonstrated that the polarity of zigzag graphene nanoribbons is controllable by the asymmetrical functionalization of their edges.

  5. Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study

    DOE PAGES

    Khan, Muhammad Ejaz; Zhang, P.; Sun, Yi -Yang; ...

    2016-03-30

    In this study, we discuss the thermodynamic stability and magnetic property of zigzag triangular holes (ZTHs) in graphene based on the results of first-principles density functional theory calculations. We find that ZTHs with hydrogen-passivated edges in mixed sp 2/sp 3 configurations (z 211) could be readily available at experimental thermodynamic conditions, but ZTHs with 100% sp 2 hydrogen-passivation (z 1) could be limitedly available at high temperature and ultra-high vacuum conditions. Graphene magnetization near the ZTHs strongly depends on the type and the size of the triangles. While metallic z 1 ZTHs exhibit characteristic edge magnetism due to the same-sublatticemore » engineering, semiconducting z 211 ZTHs do show characteristic corner magnetism when the size is small < 2 nm. Our findings could be useful for experimentally tailoring metal-free carbon magnetism by simply fabricating triangular holes in graphene.« less

  6. Band-selective filter in a zigzag graphene nanoribbon.

    PubMed

    Nakabayashi, Jun; Yamamoto, Daisuke; Kurihara, Susumu

    2009-02-13

    Electric transport of a zigzag graphene nanoribbon through a steplike potential and a barrier potential is investigated by using the recursive Green's function method. In the case of the steplike potential, we demonstrate numerically that scattering processes obey a selection rule for the band indices when the number of zigzag chains is even; the electrons belonging to the "even" ("odd") bands are scattered only into the even (odd) bands so that the parity of the wave functions is preserved. In the case of the barrier potential, by tuning the barrier height to be an appropriate value, we show that it can work as the "band-selective filter", which transmits electrons selectively with respect to the indices of the bands to which the incident electrons belong. Finally, we suggest that this selection rule can be observed in the conductance by applying two barrier potentials.

  7. STM/STS investigation of edge structure in epitaxial graphene

    NASA Astrophysics Data System (ADS)

    Ridene, M.; Girard, J. C.; Travers, L.; David, C.; Ouerghi, A.

    2012-08-01

    In this paper, we have used low temperature scanning tunneling microscopy and spectroscopy (LT-STM/STS) to study zigzag or armchair edges of epitaxial graphene on 6H-SiC (0001). The monolayer carbon structures exhibit occasionally one-dimensional ridge (1D) in close vicinity to step edge. This ridge exhibits different edges orientations in armchair-zigzag transition which give rise to different local density of states (LDOS) along this 1D structure. This ridge formation is likely explained by residual compressive in-plane stresses.

  8. Functionalization and migration of bromine adatoms on zigzag graphene nanoribbons: A first-principles study

    NASA Astrophysics Data System (ADS)

    Jaiswal, Neeraj K.; Kumar, Amit; Patel, Chandrabhan

    2018-05-01

    Tailoring the electronic band gap of graphene nanoribbons (GNR) through edge functionalization and understanding the adsorption of guest adatoms on GNR is crucial for realization of upcoming organic devices. In the present work, we have investigated the structural stability and electronic property of bromine (Br) termination at the edges of zigzag GNR (ZGNR). The migration pathways of Br adatom on ZGNR have also been discussed along four different diffusion paths. It is revealed that Br termination induces metallicity in ZGNR and caused upward shifting of Fermi level. Further, the migration is predicted to take place preferable along the ribbon edges whereas across the ribbon width, migration is least probable to take place due to sufficiently higher migration barrier of ˜160 meV.

  9. Atomistic full-quantum transport model for zigzag graphene nanoribbon-based structures: Complex energy-band method

    NASA Astrophysics Data System (ADS)

    Chen, Chun-Nan; Luo, Win-Jet; Shyu, Feng-Lin; Chung, Hsien-Ching; Lin, Chiun-Yan; Wu, Jhao-Ying

    2018-01-01

    Using a non-equilibrium Green’s function framework in combination with the complex energy-band method, an atomistic full-quantum model for solving quantum transport problems for a zigzag-edge graphene nanoribbon (zGNR) structure is proposed. For transport calculations, the mathematical expressions from the theory for zGNR-based device structures are derived in detail. The transport properties of zGNR-based devices are calculated and studied in detail using the proposed method.

  10. Designing of spin-filtering devices in zigzag graphene nanoribbons heterojunctions by asymmetric hydrogenation and B-N doping

    SciTech Connect

    Zhang, Dan; Zhang, Xiaojiao; Ouyang, Fangping

    2015-01-07

    Using nonequilibrium Green's function in combination with the spin-polarized density functional theory, the spin-dependent transport properties of boron and nitrogen doped zigzag graphene nanoribbons (ZGNRs) heterojunctions with single or double edge-saturated hydrogen have been investigated. Our results show that the perfect spin-filtering effect (100%), rectifying behavior and negative differential resistance can be realized in the ZGNRs-based systems. And the corresponding physical analysis has been given.

  11. Negative differential resistance in oxidized zigzag graphene nanoribbons.

    PubMed

    Wang, Min; Li, Chang Ming

    2011-01-28

    A theoretical study of zigzag graphene nanoribbons (ZGNRs) with an epoxy-pair chain (ZGO) is performed. The electronic transport properties are mainly evaluated by non-equilibrium Green's functions using the TRANSIESTA package. The results indicate that the graphene oxide can have a negative differential resistance (NDR) phenomenon, supported by bias-dependent transmission curves of different spin orientations. Applying non-zero bias voltages makes the density of states (DOS) of the right electrodes shift down. Due to an energy gap between the LUMO and LUMO+1 in ZGOs, with a certain bias, the conduction band of the right electrode cannot match the LUMO of the scattering region, then NDR occurs. With a larger bias, NDR ends when the second conduction band of the right electrode's DOS covers the LUMO of the scattering region. Since most of proposed ZGO systems possess such a gap between the LUMO and LUMO+1, NDR can be widely observed and this discovery may provide great potential applications in NDR-based nanoelectronics by using modified graphene materials.

  12. Aspects of electron transport in zigzag graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Bhalla, Pankaj; Pratap, Surender

    2018-05-01

    In this paper, we investigate the aspects of electron transport in the zigzag graphene nanoribbons (ZGNRs) using the nonequilibrium Green’s function (NEGF) formalism. The latter is an esoteric tool in mesoscopic physics. It is used to perform an analysis of ZGNRs by considering potential well. Within this potential, the dependence of transmission coefficient, local density of states (LDOS) and electron transport properties on number of atoms per unit cell is discussed. It is observed that there is an increment in electron and thermal conductance with increasing number of atoms. In addition to these properties, the dependence of same is also studied in figure of merit. The results infer that the contribution of electrons to enhance the figure of merit is important above the crossover temperature.

  13. Quantum phase transitions in effective spin-ladder models for graphene zigzag nanoribbons

    NASA Astrophysics Data System (ADS)

    Koop, Cornelie; Wessel, Stefan

    2017-10-01

    We examine the magnetic correlations in quantum spin models that were derived recently as effective low-energy theories for electronic correlation effects on the edge states of graphene nanoribbons. For this purpose, we employ quantum Monte Carlo simulations to access the large-distance properties, accounting for quantum fluctuations beyond mean-field-theory approaches to edge magnetism. For certain chiral nanoribbons, antiferromagnetic interedge couplings were previously found to induce a gapped quantum disordered ground state of the effective spin model. We find that the extended nature of the intraedge couplings in the effective spin model for zigzag nanoribbons leads to a quantum phase transition at a large, finite value of the interedge coupling. This quantum critical point separates the quantum disordered region from a gapless phase of stable edge magnetism at weak intraedge coupling, which includes the ground states of spin-ladder models for wide zigzag nanoribbons. To study the quantum critical behavior, the effective spin model can be related to a model of two antiferromagnetically coupled Haldane-Shastry spin-half chains with long-ranged ferromagnetic intrachain couplings. The results for the critical exponents are compared also to several recent renormalization-group calculations for related long-ranged interacting quantum systems.

  14. Adiabatic quantum pump in a zigzag graphene nanoribbon junction

    NASA Astrophysics Data System (ADS)

    Zhang, Lin

    2015-11-01

    The adiabatic electron transport is theoretically studied in a zigzag graphene nanoribbon (ZGNR) junction with two time-dependent pumping electric fields. By modeling a ZGNR p-n junction and applying the Keldysh Green’s function method, we find that a pumped charge current is flowing in the device at a zero external bias, which mainly comes from the photon-assisted tunneling process and the valley selection rule in an even-chain ZGNR junction. The pumped charge current and its ON and OFF states can be efficiently modulated by changing the system parameters such as the pumping frequency, the pumping phase difference, and the Fermi level. A ferromagnetic ZGNR device is also studied to generate a pure spin current and a fully polarized spin current due to the combined spin pump effect and the valley valve effect. Our finding might pave the way to manipulate the degree of freedom of electrons in a graphene-based electronic device. Project supported by the National Natural Science Foundation of China (Grant No. 110704033), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK2010416), and the Natural Science Foundation for Colleges and Universities in Jiangsu Province, China (Grant No. 13KJB140005).

  15. Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study

    SciTech Connect

    Khan, Muhammad Ejaz; Zhang, P.; Kim, Yong-Hyun, E-mail: yong.hyun.kim@kaist.ac.kr

    We discuss the thermodynamic stability and magnetic property of zigzag triangular holes (ZTHs) in graphene based on the results of first-principles density functional theory calculations. We find that ZTHs with hydrogen-passivated edges in mixed sp{sup 2}/sp{sup 3} configurations (z{sub 211}) could be readily available at experimental thermodynamic conditions, but ZTHs with 100% sp{sup 2} hydrogen-passivation (z{sub 1}) could be limitedly available at high temperature and ultra-high vacuum conditions. Graphene magnetization near the ZTHs strongly depends on the type and the size of the triangles. While metallic z{sub 1} ZTHs exhibit characteristic edge magnetism due to the same-sublattice engineering, semiconducting z{submore » 211} ZTHs do show characteristic corner magnetism when the size is small <2 nm. Our findings could be useful for experimentally tailoring metal-free carbon magnetism by simply fabricating triangular holes in graphene.« less

  16. Moiré edge states in twisted graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Fleischmann, M.; Gupta, R.; Weckbecker, D.; Landgraf, W.; Pankratov, O.; Meded, V.; Shallcross, S.

    2018-05-01

    The edge physics of graphene based systems is well known to be highly sensitive to the atomic structure at the boundary, with localized zero mode edge states found only on the zigzag-type termination of the lattice. Here we demonstrate that the graphene twist bilayer supports an additional class of edge states, that (i) are found for all edge geometries and thus are robust against edge roughness, (ii) occur at energies coinciding with twist induced Van Hove singularities in the bulk and (iii) possess an electron density strongly modulated by the moiré lattice. Interestingly, these "moiré edge states" exist only for certain lattice commensurations and thus the edge physics of the twist bilayer is, in dramatic contrast to that of the bulk, not uniquely determined by the twist angle.

  17. Determination of graphene's edge energy using hexagonal graphene quantum dots and PM7 method.

    PubMed

    Vorontsov, Alexander V; Tretyakov, Evgeny V

    2018-05-18

    Graphene quantum dots (GQDs) are important for a variety of applications and designs, and the shapes of GQDs rely on the energy of their boundaries. Presently, many methods have been developed for the preparation of GQDs with the required boundaries, shapes and edge terminations. However, research on the properties of GQDs and their applications is limited due to the unavailability of these compounds in pure form. In the present computational study, the standard enthalpy of formation, the standard enthalpy of formation of edges and the standard enthalpy of hydrogenation are studied for hexagonal GQDs with purely zigzag and armchair edges in non-passivated and H-passivated forms using the semiempirical quantum chemistry method pm7. The standard enthalpy of formation of the edge is found to remain constant for GQDs studied in the range of 1 to 6 nm, and the enthalpies of edge C atoms are 32.4 and 35.5 kcal mol-1 for armchair and zigzag edges, respectively. In contrast to some literature data, the standard enthalpy of formation of hydrogenated edges is far from zero, and the values are 7.3 and 8.0 kcal mol-1 C for armchair and zigzag edges, respectively. The standard enthalpy of hydrogenation is found to be -10.2 and -9.72 eV nm-1 for the armchair and zigzag edges, respectively.

  18. First principles study of edge carboxylated graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Abdelsalam, Hazem; Elhaes, Hanan; Ibrahim, Medhat A.

    2018-05-01

    The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated using density functional theory. The calculated binding energies show that the hexagonal clusters with armchair edges have the highest stability among all the quantum dots. The binding energy of carboxylated graphene quantum dots increases by increasing the number of carboxyl groups. Our study shows that the total dipole moment significantly increases by adding COOH with the highest value observed in triangular clusters. The edge states in triangular graphene quantum dots with zigzag edges produce completely different energy spectrum from other dots: (a) the energy gap in triangular zigzag is very small as compared to other clusters and (b) the highest occupied molecular orbital is localized at the edges which is in contrast to other clusters where it is distributed over the cluster surface. The enhanced reactivity and the controllable energy gap by shape and edge termination make graphene quantum dots ideal for various nanodevice applications such as sensors. The infrared spectra are presented to confirm the stability of the quantum dots.

  19. Protected Pseudohelical Edge States in Z2-Trivial Proximitized Graphene

    NASA Astrophysics Data System (ADS)

    Frank, Tobias; Högl, Petra; Gmitra, Martin; Kochan, Denis; Fabian, Jaroslav

    2018-04-01

    We investigate topological properties of models that describe graphene on realistic substrates which induce proximity spin-orbit coupling in graphene. A Z2 phase diagram is calculated for the parameter space of (generally different) intrinsic spin-orbit coupling on the two graphene sublattices, in the presence of Rashba coupling. The most fascinating case is that of staggered intrinsic spin-orbit coupling which, despite being topologically trivial, Z2=0 , does exhibit edge states protected by time-reversal symmetry for zigzag ribbons as wide as micrometers. We call these states pseudohelical as their helicity is locked to the sublattice. The spin character and robustness of the pseudohelical modes is best exhibited on a finite flake, which shows that the edge states have zero g factor, carry a pure spin current in the cross section of the flake, and exhibit spin-flip reflectionless tunneling at the armchair edges.

  20. Pillared graphene on the basis of zigzag carbon nanotubes for adsorption in medicine: mechanical properties

    NASA Astrophysics Data System (ADS)

    Kolesnikova, Anna S.; Mazepa, Margarita M.

    2018-02-01

    In nowadays the nanoscale materials are actively used in medicine, based on the properties of adsorption. One of the main problems of this field of medicine is the increase in specific surface of sorbent. We proposed to use carbon composites consisting of an extended in its directions graphene sheet with attached to it by chemical bonds zigzag carbon nanotubes (CNT). This paper presents the results of a theoretical study of the mechanical properties of graphene based on the CNT zigzag depending on the geometric dimensions of the composite (length and diameter of CNTs).

  1. Computational insight into the capacitive performance of graphene edge planes

    DOE PAGES

    Zhan, Cheng; Zhang, Yu; Cummings, Peter T.; ...

    2017-02-01

    Recent experiments have shown that electric double-layer capacitors utilizing electrodes consisting of graphene edge plane exhibit higher capacitance than graphene basal plane. However, theoretical understanding of this capacitance enhancement is still limited. Here we applied a self-consistent joint density functional theory calculation on the electrode/electrolyte interface and found that the capacitance of graphene edge plane depends on the edge type: zigzag edge has higher capacitance than armchair edge due to the difference in their electronic structures. We further examined the quantum, dielectric, and electric double-layer (EDL) contributions to the total capacitance of the edge-plane electrodes. Classical molecular dynamics simulation foundmore » that the edge planes have higher EDL capacitance than the basal plane due to better adsorption of counter-ions and higher solvent accessible surface area. Finally, our work therefore has elucidated the capacitive energy storage in graphene edge planes that take into account both the electrode's electronic structure and the EDL structure.« less

  2. Optically Unraveling the Edge Chirality-Dependent Band Structure and Plasmon Damping in Graphene Edges.

    PubMed

    Duan, Jiahua; Chen, Runkun; Cheng, Yuan; Yang, Tianzhong; Zhai, Feng; Dai, Qing; Chen, Jianing

    2018-05-01

    The nontrivial topological origin and pseudospinorial character of electron wavefunctions make edge states possess unusual electronic properties. Twenty years ago, the tight-binding model calculation predicted that zigzag termination of 2D sheets of carbon atoms have peculiar edge states, which show potential application in spintronics and modern information technologies. Although scanning probe microscopy is employed to capture this phenomenon, the experimental demonstration of its optical response remains challenging. Here, the propagating graphene plasmon provides an edge-selective polaritonic probe to directly detect and control the electronic edge state at ambient condition. Compared with armchair, the edge-band structure in the bandgap gives rise to additional optical absorption and strongly absorbed rim at zigzag edge. Furthermore, the optical conductivity is reconstructed and the anisotropic plasmon damping in graphene systems is revealed. The reported approach paves the way for detecting edge-specific phenomena in other van der Waals materials and topological insulators. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

    SciTech Connect

    He, Shenglai, E-mail: shenglai.he@vanderbilt.edu; Russakoff, Arthur; Li, Yonghui

    2016-07-21

    The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductancemore » observed in recent experiments.« less

  4. The electrical and thermal transport properties of hybrid zigzag graphene-BN nanoribbons

    NASA Astrophysics Data System (ADS)

    Gao, Song; Lu, Wei; Zheng, Guo-Hui; Jia, Yalei; Ke, San-Huang

    2017-06-01

    The electron and phonon transport in hybrid graphene-BN zigzag nanoribbons are investigated by the nonequilibrium Green’s function method combined with density functional theory calculations. A 100% spin-polarized electron transport in a large energy window around the Fermi level is found and this behavior is independent of the ribbon width as long as there contain 3 zigzag carbon chains. The phonon transport calculations show that the ratio of C-chain number to BN-chain number will modify the thermal conductance of the hybrid nanoribbon in a complicated manner.

  5. Anisotropic Etching of Hexagonal Boron Nitride and Graphene: Question of Edge Terminations

    SciTech Connect

    Stehle, Yijing Y.; Sang, Xiahan; Unocic, Raymond R.

    Here, chemical vapor deposition (CVD) has been established as the most effective way to grow large area two-dimensional materials. Direct study of the etching process can reveal subtleties of this competing with the growth reaction and thus provide the necessary details of the overall growth mechanism. Here we investigate hydrogen-induced etching of hBN and graphene and compare the results with the classical kinetic Wulff construction model. Formation of the anisotropically etched holes in the center of hBN and graphene single crystals was observed along with the changes in the crystals' circumference. We show that the edges of triangular holes inmore » hBN crystals formed at regular etching conditions are parallel to B-terminated zigzags, opposite to the N-terminated zigzag edges of hBN triangular crystals. The morphology of the etched hBN holes is affected by a disbalance of the B/N ratio upon etching and can be shifted toward the anticipated from the Wulff model N-terminated zigzag by etching in a nitrogen buffer gas instead of a typical argon. For graphene, etched hexagonal holes are terminated by zigzag, while the crystal circumference is gradually changing from a pure zigzag to a slanted angle resulting in dodecagons.« less

  6. Anisotropic Etching of Hexagonal Boron Nitride and Graphene: Question of Edge Terminations

    DOE PAGES

    Stehle, Yijing Y.; Sang, Xiahan; Unocic, Raymond R.; ...

    2017-11-14

    Here, chemical vapor deposition (CVD) has been established as the most effective way to grow large area two-dimensional materials. Direct study of the etching process can reveal subtleties of this competing with the growth reaction and thus provide the necessary details of the overall growth mechanism. Here we investigate hydrogen-induced etching of hBN and graphene and compare the results with the classical kinetic Wulff construction model. Formation of the anisotropically etched holes in the center of hBN and graphene single crystals was observed along with the changes in the crystals' circumference. We show that the edges of triangular holes inmore » hBN crystals formed at regular etching conditions are parallel to B-terminated zigzags, opposite to the N-terminated zigzag edges of hBN triangular crystals. The morphology of the etched hBN holes is affected by a disbalance of the B/N ratio upon etching and can be shifted toward the anticipated from the Wulff model N-terminated zigzag by etching in a nitrogen buffer gas instead of a typical argon. For graphene, etched hexagonal holes are terminated by zigzag, while the crystal circumference is gradually changing from a pure zigzag to a slanted angle resulting in dodecagons.« less

  7. Anisotropic Etching of Hexagonal Boron Nitride and Graphene: Question of Edge Terminations.

    PubMed

    Stehle, Yijing Y; Sang, Xiahan; Unocic, Raymond R; Voylov, Dmitry; Jackson, Roderick K; Smirnov, Sergei; Vlassiouk, Ivan

    2017-12-13

    Chemical vapor deposition (CVD) has been established as the most effective way to grow large area two-dimensional materials. Direct study of the etching process can reveal subtleties of this competing with the growth reaction and thus provide the necessary details of the overall growth mechanism. Here we investigate hydrogen-induced etching of hBN and graphene and compare the results with the classical kinetic Wulff construction model. Formation of the anisotropically etched holes in the center of hBN and graphene single crystals was observed along with the changes in the crystals' circumference. We show that the edges of triangular holes in hBN crystals formed at regular etching conditions are parallel to B-terminated zigzags, opposite to the N-terminated zigzag edges of hBN triangular crystals. The morphology of the etched hBN holes is affected by a disbalance of the B/N ratio upon etching and can be shifted toward the anticipated from the Wulff model N-terminated zigzag by etching in a nitrogen buffer gas instead of a typical argon. For graphene, etched hexagonal holes are terminated by zigzag, while the crystal circumference is gradually changing from a pure zigzag to a slanted angle resulting in dodecagons.

  8. Experimental observation of edge transport in graphene nanostructures

    NASA Astrophysics Data System (ADS)

    Kinikar, Amogh; Sai, T. Phanindra; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K.; Krishnamurthy, H. R.; Jain, Manish; Shenoy, Vijay B.; Ghosh, Arindam

    The zizzag edges of graphene, whether single or few layers, host zero energy gapless states and are perfect 1D ballistic conductors. Conclusive observations of electrical conduction through edge states has been elusive. We report the observation of edge bound transport in atomic-scale constrictions of single and multilayer suspended graphene created stochastically by nanomechanical exfoliation of graphite. We observe that the conductance is quantized in near multiples of e2/h. Non-equilibrium transport shows a split zero bias anomaly and, the magneto-conductance is hysteretic; indicating that the electron transport is through spin polarized edge states in the presence of electron-electron interaction. Atomic force microscope scans on the graphite surface post exfoliation reveal that the final constriction is usually a single layer graphene with a constricting angle of 30o. Tearing along crystallographic angles suggests the tears occur along zigzag and armchair configurations with high fidelity of the edge morphology. We acknowledge the financial support from the DST, Government of India. SS acknowledges support from the NSF (DMR-1508680).

  9. Magnetic edge states in Aharonov-Bohm graphene quantum rings

    SciTech Connect

    Farghadan, R., E-mail: rfarghadan@kashanu.ac.ir; Heidari Semiromi, E.; Saffarzadeh, A.

    2013-12-07

    The effect of electron-electron interaction on the electronic structure of Aharonov-Bohm (AB) graphene quantum rings (GQRs) is explored theoretically using the single-band tight-binding Hamiltonian and the mean-field Hubbard model. The electronic states and magnetic properties of hexagonal, triangular, and circular GQRs with different sizes and zigzag edge terminations are studied. The results show that, although the AB oscillations in the all types of nanoring are affected by the interaction, the spin splitting in the AB oscillations strongly depends on the geometry and the size of graphene nanorings. We found that the total spin of hexagonal and circular rings is zeromore » and therefore, no spin splitting can be observed in the AB oscillations. However, the non-zero magnetization of the triangular rings breaks the degeneracy between spin-up and spin-down electrons, which produces spin-polarized AB oscillations.« less

  10. Effect of edge modification on the zigzag BC2N nanoribbons

    NASA Astrophysics Data System (ADS)

    Xiao, Xiang; Li, Hong; Tie, Jun; Lu, Jing

    2016-08-01

    We use first principles calculations to investigate the effects of edge modification with nonmetal species on zigzag-edged BC2N nanoribbons (ZBC2NNRs). These ZBC2NNRs show either semiconducting or metallic behaviors depending on the edge modifications and ribbon widths. We find that the O-modification induces a ferromagnetic ground state with a metallic behavior for all the ribbon widths investigated. And when the ribbon width is more than 3.32 nm (NZ ⩾ 16), an antiferromagnetic ground state with a half-metallic behavior is realized in the H-passivated ZBC2NNRs. These versatile electronic properties render the ZBC2NNRs a promising candidate material in nanoelectronics and nanospintronics.

  11. Electronic transport across a junction between armchair graphene nanotube and zigzag nanoribbon. Transmission in an armchair nanotube without a zigzag half-line of dimers

    NASA Astrophysics Data System (ADS)

    Sharma, Basant Lal

    2018-05-01

    Based on the well known nearest-neighbor tight-binding approximation for graphene, an exact expression for the electronic conductance across a zigzag nanoribbon/armchair nanotube junction is presented for non-interacting electrons. The junction results from the removal of a half-row of zigzag dimers in armchair nanotube, or equivalently by partial rolling of zigzag nanoribbon and insertion of a half-row of zigzag dimers in between. From the former point of view, a discrete form of Dirichlet condition is imposed on a zigzag half-line of dimers assuming the vanishing of wave function outside the physical structure. A closed form expression is provided for the reflection and transmission moduli for the outgoing wave modes for each given electronic wave mode incident from either side of the junction. It is demonstrated that such a contact junction between the nanotube and nanoribbon exhibits negligible backscattering, and the transmission has been found to be nearly ballistic. In contrast to the previously reported studies for partially unzipped carbon nanotubes (CNTs), using the same tight binding model, it is found that due to the "defect" there is certain amount of mixing between the electronic wave modes with even and odd reflection symmetries. But the junction remains a perfect valley filter for CNTs at certain energy ranges. Applications aside from the electronic case, include wave propagation in quasi-one-dimensional honeycomb structures of graphene-like constitution. The paper includes several numerical calculations, analytical derivations, and graphical results, which complement the provision of succinct closed form expressions.

  12. Electrostatic potential barrier for electron emission at graphene edges induced by the nearly free electron states

    NASA Astrophysics Data System (ADS)

    Gao, Yanlin; Okada, Susumu

    2017-05-01

    Using the density functional theory, we studied the electronic structures of zigzag graphene nanoribbons with hydroxyl, H, ketone, aldehyde, or carboxyl terminations under a lateral electric field. The critical electric field for electron emission is proportional to the work function of the functionalized edges except the hydroxylated edge, which leads to the anomalous electric field outside the edge, owing to the electrons in the nearly free electron (NFE) state in the vacuum region. The strong electric field also causes a potential barrier for the electron emission from the H-terminated edge owing to the downward shift of the NFE state.

  13. Edge states in gated bilayer-monolayer graphene ribbons and bilayer domain walls

    NASA Astrophysics Data System (ADS)

    Mirzakhani, M.; Zarenia, M.; Peeters, F. M.

    2018-05-01

    Using the effective continuum model, the electron energy spectrum of gated bilayer graphene with a step-like region of decoupled graphene layers at the edge of the sample is studied. Different types of coupled-decoupled interfaces are considered, i.e., zigzag (ZZ) and armchair junctions, which result in significant different propagating states. Two non-valley-polarized conducting edge states are observed for ZZ type, which are mainly located around the ZZ-ended graphene layers. Additionally, we investigated both BA-BA and BA-AB domain walls in the gated bilayer graphene within the continuum approximation. Unlike the BA-BA domain wall, which exhibits gapped insulating behaviour, the domain walls surrounded by different stackings of bilayer regions feature valley-polarized edge states. Our findings are consistent with other theoretical calculations, such as from the tight-binding model and first-principles calculations, and agree with experimental observations.

  14. Non-equilibrium tunneling in zigzag graphene nanoribbon break-junction results in spin filtering

    SciTech Connect

    Jiang, Liming; Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010; National ICT Australia, The University of Melbourne, Parkville 3010

    Spintronic devices promise new faster and lower energy-consumption electronic systems. Graphene, a versatile material and candidate for next generation electronics, is known to possess interesting spintronic properties. In this paper, by utilizing density functional theory and non-equilibrium green function formalism, we show that Fano resonance can be generated by introducing a break junction in a zigzag graphene nanoribbon (ZGNR). Using this effect, we propose a new spin filtering device that can be used for spin injection. Our theoretical results indicate that the proposed device could achieve high spin filtering efficiency (over 90%) at practical fabrication geometries. Furthermore, our results indicatemore » that the ZGNR break junction lattice configuration can dramatically affect spin filtering efficiency and thus needs to be considered when fabricating real devices. Our device can be fabricated on top of spin transport channel and provides good integration between spin injection and spin transport.« less

  15. Tunable magnetic states on the zigzag edges of hydrogenated and halogenated group-IV nanoribbons

    NASA Astrophysics Data System (ADS)

    Chuang, Feng-Chuan; Wang, Tzu-Cheng; Hsu, Chia-Hsiu; Huang, Zhi-Quan; Su, Wan-Sheng; Guo, Guang-Yu

    The magnetic and electronic properties of hydrogenated and halogenated group-IV zigzag nanoribbons (ZNRs) are investigated by first-principles density functional calculations. Fascinatingly, we find that all the ZNRs have magnetic edges with a rich variety of electronic and magnetic properties tunable by selecting the parent and passivating elements as well as controlling the magnetization direction and external strain. In particular, the electric property of the edge band structure can be tuned from the conducting to insulating with a band gap up to 0.7 eV, depending on the parent and passivating elements as well as the applied strain, magnetic configuration and magnetization orientation. The last controllability would allow us to develop magnetic on-off nano-switches. Furthermore, ZNRs such as SiI, Ge, GeI and SnH, have fully spin-polarized metallic edge states and thus are promising materials for spintronics. The calculated magnetocrystalline anisotropy energy can be as large as 9 meV/edge-site, being 2000 time greater than that of bulk Ni and Fe ( 5 μeV/atom), and thus has great potential for high density magneto-electric data-storage devices. Finally, the calculated exchange coupling strength and thus magnetic transition temperature increases as the applied strain goes from -5 % to 5 %. Our findings thus show that these ZNRs would have exciting applications in next-generation electronic and spintronic nano-devices.

  16. Tunable magnetic states on the zigzag edges of hydrogenated and halogenated group-IV nanoribbons

    NASA Astrophysics Data System (ADS)

    Wang, Tzu-Cheng; Hsu, Chia-Hsiu; Huang, Zhi-Quan; Chuang, Feng-Chuan; Su, Wan-Sheng; Guo, Guang-Yu

    2016-12-01

    The magnetic and electronic properties of hydrogenated and halogenated group-IV zigzag nanoribbons (ZNRs) are investigated by first-principles density functional calculations. Fascinatingly, we find that all the ZNRs have magnetic edges with a rich variety of electronic and magnetic properties tunable by selecting the parent and passivating elements as well as controlling the magnetization direction and external strain. In particular, the electric property of the edge band structure can be tuned from the conducting to insulating with a band gap up to 0.7 eV. The last controllability would allow us to develop magnetic on-off nano-switches. Furthermore, ZNRs such as SiI, Ge, GeI and SnH, have fully spin-polarized metallic edge states and thus are promising materials for spintronics. The calculated magnetocrystalline anisotropy energy can be as large as ~9 meV/edge-site, being 2×103 time greater than that of bulk Ni and Fe (~5 μeV/atom), and thus has great potential for high density magneto-electric data-storage devices. Finally, the calculated exchange coupling strength and thus magnetic transition temperature increases as the applied strain goes from -5% to 5%. Our findings thus show that these ZNRs would have exciting applications in next-generation electronic and spintronic nano-devices.

  17. Acoustic valley edge states in a graphene-like resonator system

    NASA Astrophysics Data System (ADS)

    Yang, Yahui; Yang, Zhaoju; Zhang, Baile

    2018-03-01

    The concept of valley physics, as inspired by the recent development in valleytronic materials, has been extended to acoustic crystals for manipulation of air-borne sound. Many valleytronic materials follow the model of a gapped graphene. Yet the previously demonstrated valley acoustic crystal adopted a mirror-symmetry-breaking mechanism, lacking a direct counterpart in condensed matter systems. In this paper, we investigate a two-dimensional (2D) periodic acoustic resonator system with inversion symmetry breaking, as an analogue of a gapped graphene monolayer. It demonstrates the quantum valley Hall topological phase for sound waves. Similar to a gapped graphene, gapless topological valley edge states can be found at a zigzag domain wall separating different domains with opposite valley Chern numbers, while an armchair domain wall hosts no gapless edge states. Our study offers a route to simulate novel valley phenomena predicted in gapped graphene and other 2D materials with classical acoustic waves.

  18. Effective Hamiltonian for protected edge states in graphene

    SciTech Connect

    Winkler, R.; Deshpande, H.

    Edge states in topological insulators (TIs) disperse symmetrically about one of the time-reversal invariant momenta Λ in the Brillouin zone (BZ) with protected degeneracies at Λ. Commonly TIs are distinguished from trivial insulators by the values of one or multiple topological invariants that require an analysis of the bulk band structure across the BZ. We propose an effective two-band Hamiltonian for the electronic states in graphene based on a Taylor expansion of the tight-binding Hamiltonian about the time-reversal invariant M point at the edge of the BZ. This Hamiltonian provides a faithful description of the protected edge states for bothmore » zigzag and armchair ribbons, though the concept of a BZ is not part of such an effective model. In conclusion, we show that the edge states are determined by a band inversion in both reciprocal and real space, which allows one to select Λ for the edge states without affecting the bulk spectrum.« less

  19. Effective Hamiltonian for protected edge states in graphene

    DOE PAGES

    Winkler, R.; Deshpande, H.

    2017-06-15

    Edge states in topological insulators (TIs) disperse symmetrically about one of the time-reversal invariant momenta Λ in the Brillouin zone (BZ) with protected degeneracies at Λ. Commonly TIs are distinguished from trivial insulators by the values of one or multiple topological invariants that require an analysis of the bulk band structure across the BZ. We propose an effective two-band Hamiltonian for the electronic states in graphene based on a Taylor expansion of the tight-binding Hamiltonian about the time-reversal invariant M point at the edge of the BZ. This Hamiltonian provides a faithful description of the protected edge states for bothmore » zigzag and armchair ribbons, though the concept of a BZ is not part of such an effective model. In conclusion, we show that the edge states are determined by a band inversion in both reciprocal and real space, which allows one to select Λ for the edge states without affecting the bulk spectrum.« less

  20. Dual-channel current valve in a three terminal zigzag graphene nanoribbon junction

    NASA Astrophysics Data System (ADS)

    Zhang, L.

    2017-02-01

    We theoretically propose a dual-channel current valve based on a three terminal zigzag graphene nanoribbon (ZGNR) junction driven by three asymmetric time-dependent pumping potentials. By means of the Keldysh Green’s function method, we show that two asymmetric charge currents can be pumped in the different left-right terminals of the device at a zero bias, which mainly stems from the single photon-assisted pumping approximation and the valley valve effect in a ZGNR p-n junction. The ON and OFF states of pumped charge currents are crucially dependent on the even-odd chain widths of the three electrodes, the pumping frequency, the lattice potential and the Fermi level. Two-tunneling spin valves are also considered to spatially separate and detect 100% polarized spin currents owing to the combined spin pump effect and the valley selective transport in a three terminal ZGNR ferromagnetic junction. Our investigations might be helpful to control the spatial and spin degrees of freedom of electrons in graphene pumping devices.

  1. Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect

    NASA Astrophysics Data System (ADS)

    Nagai, Hiroshi; Nakano, Masayoshi; Yoneda, Kyohei; Fukui, Hitoshi; Minami, Takuya; Bonness, Sean; Kishi, Ryohei; Takahashi, Hideaki; Kubo, Takashi; Kamada, Kenji; Ohta, Koji; Champagne, Benoît; Botek, Edith

    2009-08-01

    Using hybrid density functional theory methods, we investigate the second hyperpolarizabilities ( γ) of hexagonal shaped finite graphene fragments, which are referred to as hexagonal graphene nanoflakes (HGNFs), with two types of edge shapes: zigzag (Z) and armchair (A) edges. It is found that Z-HGNF, which gives intermediate diradical characters ( y), exhibits about 3.3 times larger orthogonal components of γ ( γ xxxx = γ yyyy in this case) than A-HGNF, which gives zero y value (closed-shell system). The γ density analysis reveals that this enhancement originates in the significant contribution of γ densities on edge regions in Z-HGNF. These observations strongly indicate that Z-HGNF is a promising candidate of open-shell singlet NLO systems.

  2. Edge effect on a vacancy state in semi-infinite graphene

    NASA Astrophysics Data System (ADS)

    Deng, Hai-Yao; Wakabayashi, Katsunori

    2014-09-01

    The edge effect on a single vacancy state of semi-infinite graphene (SIG) has been studied using Green's function method within the tight-binding model. In the case of infinite graphene, it is known that a vacancy induces a zero-energy resonance state, whose wave function decays inversely with distance (R) from the vacancy and is not normalizable. However, for SIG with an armchair edge, we find that the corresponding wave function decays as R-2 and hence becomes normalizable owing to the intervalley interference caused by the armchair edge. For SIG with a zigzag edge, the vacancy state depends on the sublattice of the vacancy. When the vacancy and the edge belong to different sublattices, the vacancy has no effect on the zero-energy vacancy state. In contrast, when the vacancy is located on the same sublattice as the edge, the resonance state disappears but the wave function at zero energy is strongly distorted near the vacancy. Our results reveal that the presence of edges crucially changes the vacancy state in graphene, and thus such a state can be used to probe the edge structure.

  3. Electron doping effects on the electrical conductivity of zigzag carbon nanotubes and corresponding unzipped armchair graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Mousavi, Hamze; Jalilvand, Samira; Kurdestany, Jamshid Moradi; Grabowski, Marek

    2017-10-01

    The Kubo formula is used to extract the electrical conductivity (EC) of different diameters of doped zigzag carbon nanotubes and their corresponding unzipped armchair graphene nanoribbons, as a function of temperature and chemical potential, within the tight-binding Hamiltonian model and Green's functions approach. The results reveal more sensitivity to temperature for semiconducting systems in addition to a decrease in EC of all systems with increasing cross-sections.

  4. Mechanical properties and electronic structure of edge-doped graphene nanoribbons with F, O, and Cl atoms.

    PubMed

    Piriz, Sebastián; Fernández-Werner, Luciana; Pardo, Helena; Jasen, Paula; Faccio, Ricardo; Mombrú, Álvaro W

    2017-08-16

    In this study, we present the structural, electronic, and mechanical properties of edge-doped zigzag graphene nanoribbons (ZGNRs) doped with fluorine, oxygen, and chlorine atoms. To the best of our knowledge, to date, no experimental results concerning the mechanical properties of graphene-derived nanoribbons have been reported in the literature. Simulations indicate that Cl- and F-doped ZGNRs present an equivalent 2-dimensional Young's modulus E 2D , which seems to be higher than those of graphene and H-doped ZGNRs. This is a consequence of the electronic structure of the system, particularly originating from strong interactions between the dopant atoms localized at the edges. The interaction between dopant atoms located at the edges is higher for Cl and lower for F and O atoms. This is the origin of the observed trend, in which E > E > E for all the analyzed ZGNRs.

  5. Magneto-electronic properties of graphene nanoribbons with various edge structures passivated by phosphorus and hydrogen atoms.

    PubMed

    Yu, Z L; Wang, D; Zhu, Z; Zhang, Z H

    2015-10-07

    The electronic and magnetic structures of graphene nanoribbons (GNRs) with various edge structures passivated by P atoms are investigated systematically, and compared with H passivation as well. GNRs with the entire reconstructed Klein edge or armchair edge are found to be nonmagnetic regardless of P or H passivation. However, if the edge of GNRs is a mixture of zigzag edge and reconstructed Klein edge, they are nonmagnetic for H passivation but significantly magnetic for P passivation, which could be attributed to the "charge transfer doping" effect. And the corresponding magnetic device shows a noticeable negative differential resistance phenomenon and an excellent spin filtering effect under AP configuration, which originate from the special energy band structure. The GNRs with zigzag edge, reconstructed Klein edge, or mixed edge shapes are all metals in the nonmagnetic state regardless of the H or P atoms involved. The relationship between the energy gap and the width in armchair-edged GNRs by P passivation with a dimer structure also satisfies the 3p periodicity, but different in detail from the case of H passivation. The calculated edge formation energy indicates that P-passivated GNRs are energetically more favorable, suggesting that they can stably exist in the experiment.

  6. Electrochemistry at Edge of Single Graphene Layer in a Nanopore

    PubMed Central

    Banerjee, Shouvik; Shim, Jiwook; Rivera, Jose; Jin, Xiaozhong; Estrada, David; Solovyeva, Vita; You, Xiuque; Pak, James; Pop, Eric; Aluru, Narayana; Bashir, Rashid

    2013-01-01

    We study the electrochemistry of single layer graphene edges using a nanopore-based structure consisting of stacked graphene and Al2O3 dielectric layers. Nanopores, with diameters ranging from 5 to 20 nm, are formed by an electron beam sculpting process on the stacked layers. This leads to unique edge structure which, along with the atomically thin nature of the embedded graphene electrode, demonstrates electrochemical current densities as high as 1.2 × 104 A/cm2. The graphene edge embedded structure offers a unique capability to study the electrochemical exchange at an individual graphene edge, isolated from the basal plane electrochemical activity. We also report ionic current modulation in the nanopore by biasing the embedded graphene terminal with respect to the electrodes in the fluid. The high electrochemical specific current density for a graphene nanopore-based device can have many applications in sensitive chemical and biological sensing, and energy storage devices. PMID:23249127

  7. Quantized edge modes in atomic-scale point contacts in graphene

    NASA Astrophysics Data System (ADS)

    Kinikar, Amogh; Phanindra Sai, T.; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K.; Krishnamurthy, H. R.; Jain, Manish; Shenoy, Vijay B.; Ghosh, Arindam

    2017-07-01

    The zigzag edges of single- or few-layer graphene are perfect one-dimensional conductors owing to a set of gapless states that are topologically protected against backscattering. Direct experimental evidence of these states has been limited so far to their local thermodynamic and magnetic properties, determined by the competing effects of edge topology and electron-electron interaction. However, experimental signatures of edge-bound electrical conduction have remained elusive, primarily due to the lack of graphitic nanostructures with low structural and/or chemical edge disorder. Here, we report the experimental detection of edge-mode electrical transport in suspended atomic-scale constrictions of single and multilayer graphene created during nanomechanical exfoliation of highly oriented pyrolytic graphite. The edge-mode transport leads to the observed quantization of conductance close to multiples of G0 = 2e2/h. At the same time, conductance plateaux at G0/2 and a split zero-bias anomaly in non-equilibrium transport suggest conduction via spin-polarized states in the presence of an electron-electron interaction.

  8. Quantized edge modes in atomic-scale point contacts in graphene.

    PubMed

    Kinikar, Amogh; Phanindra Sai, T; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K; Krishnamurthy, H R; Jain, Manish; Shenoy, Vijay B; Ghosh, Arindam

    2017-07-01

    The zigzag edges of single- or few-layer graphene are perfect one-dimensional conductors owing to a set of gapless states that are topologically protected against backscattering. Direct experimental evidence of these states has been limited so far to their local thermodynamic and magnetic properties, determined by the competing effects of edge topology and electron-electron interaction. However, experimental signatures of edge-bound electrical conduction have remained elusive, primarily due to the lack of graphitic nanostructures with low structural and/or chemical edge disorder. Here, we report the experimental detection of edge-mode electrical transport in suspended atomic-scale constrictions of single and multilayer graphene created during nanomechanical exfoliation of highly oriented pyrolytic graphite. The edge-mode transport leads to the observed quantization of conductance close to multiples of G 0  = 2e 2 /h. At the same time, conductance plateaux at G 0 /2 and a split zero-bias anomaly in non-equilibrium transport suggest conduction via spin-polarized states in the presence of an electron-electron interaction.

  9. Topologically trivial and nontrivial edge bands in graphene induced by irradiation

    NASA Astrophysics Data System (ADS)

    Yang, Mou; Cai, Zhi-Jun; Wang, Rui-Qiang; Bai, Yan-Kui

    2016-08-01

    We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if it is in the lateral direction of armchair ribbons, curved edge bands can be found. For the circularly polarized cases, edge bands arise and intersect in the gaps of both types of ribbons. The edge bands induced by the circularly polarized light are helical and those by linearly polarized light are topologically trivial ones. The Chern number of the Floquet band, which reflects the number of pairs of helical edge bands in graphene ribbons, can be reduced into the winding number at resonance.

  10. Edge morphology evolution of graphene domains during chemical vapor deposition cooling revealed through hydrogen etching.

    PubMed

    Zhang, Haoran; Zhang, Yanhui; Zhang, Yaqian; Chen, Zhiying; Sui, Yanping; Ge, Xiaoming; Yu, Guanghui; Jin, Zhi; Liu, Xinyu

    2016-02-21

    During cooling, considerable changes such as wrinkle formation and edge passivation occur in graphene synthesized on the Cu substrate. Wrinkle formation is caused by the difference in the thermal expansion coefficients of graphene and its substrate. This work emphasizes the cooling-induced edge passivation. The graphene-edge passivation can limit the regrowth of graphene at the domain edge. Our work shows that silicon-containing particles tend to accumulate at the graphene edge, and the formation of these particles is related to cooling. Furthermore, a clear curvature can be observed at the graphene edge on the Cu substrate, indicating the sinking of the graphene edge into the Cu substrate. Both the sinking of the graphene edge and the accumulation of silicon-containing particles are responsible for edge passivation. In addition, two kinds of graphene edge morphologies are observed after etching, which were explained by different etching mechanisms that illustrate the changes of the graphene edge during cooling.

  11. Controlled formation of closed-edge nanopores in graphene

    NASA Astrophysics Data System (ADS)

    He, Kuang; Robertson, Alex W.; Gong, Chuncheng; Allen, Christopher S.; Xu, Qiang; Zandbergen, Henny; Grossman, Jeffrey C.; Kirkland, Angus I.; Warner, Jamie H.

    2015-07-01

    Dangling bonds at the edge of a nanopore in monolayer graphene make it susceptible to back-filling at low temperatures from atmospheric hydrocarbons, leading to potential instability for nanopore applications, such as DNA sequencing. We show that closed edge nanopores in bilayer graphene are robust to back-filling under atmospheric conditions for days. A controlled method for closed edge nanopore formation starting from monolayer graphene is reported using an in situ heating holder and electron beam irradiation within an aberration-corrected transmission electron microscopy. Tailoring of closed-edge nanopore sizes is demonstrated from 1.4-7.4 nm. These results should provide mechanisms for improving the stability of nanopores in graphene for a wide range of applications involving mass transport.Dangling bonds at the edge of a nanopore in monolayer graphene make it susceptible to back-filling at low temperatures from atmospheric hydrocarbons, leading to potential instability for nanopore applications, such as DNA sequencing. We show that closed edge nanopores in bilayer graphene are robust to back-filling under atmospheric conditions for days. A controlled method for closed edge nanopore formation starting from monolayer graphene is reported using an in situ heating holder and electron beam irradiation within an aberration-corrected transmission electron microscopy. Tailoring of closed-edge nanopore sizes is demonstrated from 1.4-7.4 nm. These results should provide mechanisms for improving the stability of nanopores in graphene for a wide range of applications involving mass transport. Electronic supplementary information (ESI) available: Low magnification images, image processing techniques employed, modelling and simulation of closed edge nanoribbon, comprehensive AC-TEM dataset, and supporting analysis. See DOI: 10.1039/c5nr02277k

  12. Asymmetrical edges induced strong current-polarization in embedded graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Li, Kuanhong; Zhang, Xiang-Hua

    2018-05-01

    We investigate the electronic structures and transport properties of the embedded zigzag graphene nanoribbon (E-ZGNR) in hexagonal boron nitride trenches, which are achievable in recent experiments. Our first principles results show that the E-ZGNR has a significant enhanced conductivity relative to common ZGNRs due to the existence of asymmetrical edge structures. Moreover, only one spin-orientation electrons possess a widely opened band gap at the magnetic ground state with anti-ferromagnetic configuration, resulting in a full current-polarization at low bias region. Our findings indicate that the state-of-the-art embedding technology is quite useful for tuning the electronic structure of ZGNR and building possible spin injection and spin filter devices in spintronics.

  13. Magnetic-flux-driven topological quantum phase transition and manipulation of perfect edge states in graphene tube.

    PubMed

    Lin, S; Zhang, G; Li, C; Song, Z

    2016-08-24

    We study the tight-binding model for a graphene tube with perimeter N threaded by a magnetic field. We show exactly that this model has different nontrivial topological phases as the flux changes. The winding number, as an indicator of topological quantum phase transition (QPT) fixes at N/3 if N/3 equals to its integer part [N/3], otherwise it jumps between [N/3] and [N/3] + 1 periodically as the flux varies a flux quantum. For an open tube with zigzag boundary condition, exact edge states are obtained. There exist two perfect midgap edge states, in which the particle is completely located at the boundary, even for a tube with finite length. The threading flux can be employed to control the quantum states: transferring the perfect edge state from one end to the other, or generating maximal entanglement between them.

  14. Geometry, bonding and magnetism in planar triangulene graphene molecules with D3h symmetry: Zigzag Cm∗∗2+4m+1H3m+3 (m = 2, …, 15)

    NASA Astrophysics Data System (ADS)

    Philpott, Michael R.; Cimpoesu, Fanica; Kawazoe, Yoshiyuki

    2008-12-01

    Ab initio plane wave based all valence electron DFT calculations with geometry optimization are reported for the electronic structure of planar zigzag edged triangular shaped graphene molecules CH where the zigzag ring number m = 2, …, 15. The largest molecule C 286H 48 has a 3.8 nm side length and retains D3h symmetric geometry. The zone in the middle of the molecules, where the geometry and electronic properties resemble infinite single sheet graphite (graphene), expands with increasing ring number m, driving deviations in geometry, charge and spin to the perimeter. If a molecule is viewed as a set of nested triangular rings of carbon, then the zone where the lattice resembles an infinite sheet of graphene with CC = 142 pm, extends to the middle of the penultimate ring. The radial bonds joining the perimeter carbon atoms to the interior are long CC = 144 pm, except near the three apexes where the bonds are shorter. Isometric surfaces of the total charge density show that the two bonds joined at the apex have the highest valence charge. The perimeter CC bonds establish a simple pattern as the zigzag number increases, which shares some features with the zigzag edges in the D2h linear acenes C 4m+2H 2m+4 and the D6h hexangulenes CH6m but not the D6h symmetric annulenes (CH). The two CC bonds forming each apex are short (≈139 pm), next comes one long bond CC ≈ 142 pm and a middle region where all the CC bonds have length ≈141 pm. The homo-lumo gap declines from 0.53 eV at m = 2 to approximately 0.29 V at m = 15, the latter being larger than found for linear or hexagonal shaped graphenes with comparable edge lengths. Across the molecule the charge on the carbon atoms undergoes a small oscillation following the bipartite lattice. The magnitude of the charge in the same nested triangle decreases monotonically with the distance of the row from the center of the molecule. These systems are predicted to have spin polarized ground states with S = ½( m - 1), in

  15. Intense conductivity suppression by edge defects in zigzag MoS2 and WSe2 nanoribbons: a density functional based tight-binding study.

    PubMed

    Silva, F W N; Costa, A L M T; Liu, Lei; Barros, E B

    2016-11-04

    The effects of edge vacancies on the electron transport properties of zigzag MoS2/WSe2 nanoribbons are studied using a density functional theory (DFT)-based tight-binding model with a sp(3)d(5) basis set for the electronic structure calculation and applying the Landauer-Büttiker approach for the electronic transport. Our results show that the presence of a single edge vacancy, with a missing MoS2/WSe2 triplet, is enough to suppress the conductance of the system by almost one half for most energies around the Fermi level. Furthermore, the presence of other single defects along the same edge has little effect on the overall conductance, indicating that the conductance of that particular edge has been strongly suppressed by the first defect. The presence of another defect on the opposite edge further suppresses the quantum conductance, independently of the relative position between the two defects in opposite edges. The introduction of other defects cause the suppression to be energy dependent, leading to conductance peaks which depend on the geometry of the edges. The strong conductance dependence on the presence of edge defects is corroborated by DFT calculations using SIESTA, which show that the electronic bands near the Fermi energy are strongly localized at the edge.

  16. Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Capaz, Rodrigo; Yazyev, Oleg; Louie, Steven

    2011-03-01

    Using a model Hamiltonian approach including electron Coulomb interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is an intrinsic feature of any smooth graphene nanoribbons with chiral edges, and discover a number of structure-property relations. Specifically, we describe how the edge-state energy gap, zone-boundary edge-state energy splitting, and magnetic moment per edge length depend on the nanoribbon width and chiral angle. The role of environmental screening effects is also studied. Our results address a recent experimental observation of signatures of magnetic ordering at smooth edges of chiral graphene nanoribbons and provide an avenue towards tuning their properties via the structural and environmental degrees of freedom. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and the ONR MURI program. RBC acknowledges financial support from Brazilian agencies CNPq, FAPERJ and INCT-Nanomateriais de Carbono.

  17. Edge currents shunt the insulating bulk in gapped graphene

    NASA Astrophysics Data System (ADS)

    Zhu, M. J.; Kretinin, A. V.; Thompson, M. D.; Bandurin, D. A.; Hu, S.; Yu, G. L.; Birkbeck, J.; Mishchenko, A.; Vera-Marun, I. J.; Watanabe, K.; Taniguchi, T.; Polini, M.; Prance, J. R.; Novoselov, K. S.; Geim, A. K.; Ben Shalom, M.

    2017-02-01

    An energy gap can be opened in the spectrum of graphene reaching values as large as 0.2 eV in the case of bilayers. However, such gaps rarely lead to the highly insulating state expected at low temperatures. This long-standing puzzle is usually explained by charge inhomogeneity. Here we revisit the issue by investigating proximity-induced superconductivity in gapped graphene and comparing normal-state measurements in the Hall bar and Corbino geometries. We find that the supercurrent at the charge neutrality point in gapped graphene propagates along narrow channels near the edges. This observation is corroborated by using the edgeless Corbino geometry in which case resistivity at the neutrality point increases exponentially with increasing the gap, as expected for an ordinary semiconductor. In contrast, resistivity in the Hall bar geometry saturates to values of about a few resistance quanta. We attribute the metallic-like edge conductance to a nontrivial topology of gapped Dirac spectra.

  18. The edge- and basal-plane-specific electrochemistry of a single-layer graphene sheet

    PubMed Central

    Yuan, Wenjing; Zhou, Yu; Li, Yingru; Li, Chun; Peng, Hailin; Zhang, Jin; Liu, Zhongfan; Dai, Liming; Shi, Gaoquan

    2013-01-01

    Graphene has a unique atom-thick two-dimensional structure and excellent properties, making it attractive for a variety of electrochemical applications, including electrosynthesis, electrochemical sensors or electrocatalysis, and energy conversion and storage. However, the electrochemistry of single-layer graphene has not yet been well understood, possibly due to the technical difficulties in handling individual graphene sheet. Here, we report the electrochemical behavior at single-layer graphene-based electrodes, comparing the basal plane of graphene to its edge. The graphene edge showed 4 orders of magnitude higher specific capacitance, much faster electron transfer rate and stronger electrocatalytic activity than those of graphene basal plane. A convergent diffusion effect was observed at the sub-nanometer thick graphene edge-electrode to accelerate the electrochemical reactions. Coupling with the high conductivity of a high-quality graphene basal plane, graphene edge is an ideal electrode for electrocatalysis and for the storage of capacitive charges. PMID:23896697

  19. Edge-functionalization of armchair graphene nanoribbons with pentagonal-hexagonal edge structures.

    PubMed

    Ryou, Junga; Park, Jinwoo; Kim, Gunn; Hong, Suklyun

    2017-06-21

    Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While the AGNRs with pentagonal-hexagonal edge structures (labeled (5,6)-AGNRs) are metallic, the edge-functionalized (5,6)-AGNRs with substitutional atoms opens a band gap. We find that the band structures of edge-functionalized (5,6)-N-AGNRs by substitution resemble those of defect-free (N-1)-AGNR at the Γ point, whereas those at the X point show the original ones of the defect-free N-AGNR. The overall electronic structures of edge-functionalized (5,6)-AGNRs depend on the number of electrons, supplied by substitutional atoms, at the edges of functionalized (5,6)-AGNRs.

  20. Graphene-edge dielectrophoretic tweezers for trapping of biomolecules.

    PubMed

    Barik, Avijit; Zhang, Yao; Grassi, Roberto; Nadappuram, Binoy Paulose; Edel, Joshua B; Low, Tony; Koester, Steven J; Oh, Sang-Hyun

    2017-11-30

    The many unique properties of graphene, such as the tunable optical, electrical, and plasmonic response make it ideally suited for applications such as biosensing. As with other surface-based biosensors, however, the performance is limited by the diffusive transport of target molecules to the surface. Here we show that atomically sharp edges of monolayer graphene can generate singular electrical field gradients for trapping biomolecules via dielectrophoresis. Graphene-edge dielectrophoresis pushes the physical limit of gradient-force-based trapping by creating atomically sharp tweezers. We have fabricated locally backgated devices with an 8-nm-thick HfO 2 dielectric layer and chemical-vapor-deposited graphene to generate 10× higher gradient forces as compared to metal electrodes. We further demonstrate near-100% position-controlled particle trapping at voltages as low as 0.45 V with nanodiamonds, nanobeads, and DNA from bulk solution within seconds. This trapping scheme can be seamlessly integrated with sensors utilizing graphene as well as other two-dimensional materials.

  1. Evidence for edge state photoluminescence in graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Lingam, Kiran; Podila, Ramakrishna; Qian, Haijun; Serkiz, Steve; Rao, Apparao M.

    2013-03-01

    For a practical realization of graphene-based logic devices, opening of a band gap in graphene is crucial and has proved challenging. To this end, several synthesis techniques including unzipping of carbon nanotubes, chemical vapor deposition and other bottom-up fabrication techniques have been pursued for the bulk production of graphene nanoribbons (GNRs) and graphene quantum dots (GQDs). However, only a limited progress has been made towards a fundamental understanding of the electronic and optical properties of GQDs. In particular, the origin of strong photoluminescence (PL) in GQDs, which has been attributed to the presence of emissive surface traps and/or the edge states in GQD, remains inconclusive to date. Here, we experimentally show that the PL is independent of the functional groups attached to the GQDs. Following a series of annealing experiments, we further show that the PL in GQDs originates from the edge states, and an edge-passivation subsequent to synthesis quenches PL. These results are consistent with comparative studies on other carbon nanostructures such as GNRs and carbon nano-onions.

  2. Mechanical properties of graphene nanoribbons under uniaxial tensile strain

    NASA Astrophysics Data System (ADS)

    Yoneyama, Kazufumi; Yamanaka, Ayaka; Okada, Susumu

    2018-03-01

    Based on the density functional theory with the generalized gradient approximation, we investigated the mechanical properties of graphene nanoribbons in terms of their edge shape under a uniaxial tensile strain. The nanoribbons with armchair and zigzag edges retain their structure under a large tensile strain, while the nanoribbons with chiral edges are fragile against the tensile strain compared with those with armchair and zigzag edges. The fracture started at the cove region, which corresponds to the border between the zigzag and armchair edges for the nanoribbons with chiral edges. For the nanoribbons with armchair edges, the fracture started at one of the cove regions at the edges. In contrast, the fracture started at the inner region of the nanoribbons with zigzag edges. The bond elongation under the tensile strain depends on the mutual arrangement of covalent bonds with respect to the strain direction.

  3. Edge states and phase diagram for graphene under polarized light

    SciTech Connect

    Wang, Yi -Xiang; Li, Fuxiang

    2016-03-22

    In this paper, we investigate the topological phase transitions in graphene under the modulation of circularly polarized light, by analyzing the changes of edge states and its topological structures. A full phase diagram, with several different topological phases, is presented in the parameter space spanned by the driving frequency and light strength. We find that the high-Chern number behavior is very common in the driven system. While the one-photon resonance can create the chiral edge states in the π-gap, the two-photon resonance will induce the counter-propagating edge modes in the zero-energy gap. When the driving light strength is strong, themore » number and even the chirality of the edge states may change in the π-gap. The robustness of the edge states to disorder potential is also examined. We close by discussing the feasibility of experimental proposals.« less

  4. Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study.

    PubMed

    Pham, Buu Q; Gordon, Mark S

    2016-12-07

    The thermodynamic and kinetic controls of graphene chemistry are studied computationally using a graphene hydrogenation reaction and polyaromatic hydrocarbons to represent the graphene surface. Hydrogen atoms are concertedly chemisorped onto the surface of graphene models of different shapes (i.e., all-zigzag, all-armchair, zigzag-armchair mixed edges) and sizes (i.e., from 16-42 carbon atoms). The second-order Z-averaged perturbation theory (ZAPT2) method combined with Pople double and triple zeta basis sets are used for all calculations. It is found that both the net enthalpy change and the barrier height of graphene hydrogenation at graphene edges are lower than at their interior surfaces. While the thermodynamic product distribution is mainly determined by the remaining π-islands of functionalized graphenes (Phys. Chem. Chem. Phys., 2013, 15, 3725-3735), the kinetics of the reaction is primarily correlated with the localization of the electrostatic potential of the graphene surface.

  5. Electrostatic properties of graphene edges for electron emission under an external electric field

    NASA Astrophysics Data System (ADS)

    Gao, Yanlin; Okada, Susumu

    2018-04-01

    Electronic properties of graphene edges under a lateral electric field were theoretically studied in regard to their edge shapes and terminations to provide a theoretical insight into their field emission properties. The work function and potential barrier for the electron emission from the graphene edges are sensitive to their shape and termination. We also found that the hydrogenated armchair edge shows the largest emission current among all edges studied here. The electric field outside the chiral edges is spatially modulated along the edge because of the inhomogeneous charge density at the atomic sites of the edge arising from the bond alternation.

  6. The spin-dependent electronic transport properties of M(dcdmp)2 (M = Cu, Au, Co, Ni) molecular devices based on zigzag graphene nanoribbon electrodes

    NASA Astrophysics Data System (ADS)

    Li, Dongde; Wu, Di; Zhang, Xiaojiao; Zeng, Bowen; Li, Mingjun; Duan, Haiming; Yang, Bingchu; Long, Mengqiu

    2018-05-01

    The spin-dependent electronic transport properties of M(dcdmp)2 (M = Cu, Au, Co, Ni; dcdmp = 2,3-dicyano-5,6-dimercaptopyrazyne) molecular devices based on zigzag graphene nanoribbon (ZGNR) electrodes were investigated by density functional theory combined nonequilibrium Green's function method (DFT-NEGF). Our results show that the spin-dependent transport properties of the M(dcdmp)2 molecular devices can be controlled by the spin configurations of the ZGNR electrodes, and the central 3d-transition metal atom can introduce a larger magnetism than that of the nonferrous metal one. Moreover, the perfect spin filtering effect, negative differential resistance, rectifying effect and magnetic resistance phenomena can be observed in our proposed M(dcdmp)2 molecular devices.

  7. Spin-dependent electron scattering at graphene edges on Ni(111).

    PubMed

    Garcia-Lekue, A; Balashov, T; Olle, M; Ceballos, G; Arnau, A; Gambardella, P; Sanchez-Portal, D; Mugarza, A

    2014-02-14

    We investigate the scattering of surface electrons by the edges of graphene islands grown on Ni(111). By combining local tunneling spectroscopy and ab initio electronic structure calculations we find that the hybridization between graphene and Ni states results in strongly reflecting graphene edges. Quantum interference patterns formed around the islands reveal a spin-dependent scattering of the Shockley bands of Ni, which we attribute to their distinct coupling to bulk states. Moreover, we find a strong dependence of the scattering amplitude on the atomic structure of the edges, depending on the orbital character and energy of the surface states.

  8. Optical properties of graphene nanoflakes: Shape matters.

    PubMed

    Mansilla Wettstein, Candela; Bonafé, Franco P; Oviedo, M Belén; Sánchez, Cristián G

    2016-06-14

    In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries.

  9. Abnormal blueshift of the absorption edge in graphene nanodots

    NASA Astrophysics Data System (ADS)

    Sheng, Weidong

    2018-06-01

    In a conventional semiconductor, when the dielectric screening effect is suppressed, the exciton binding energy increases and the corresponding excitonic transition would exhibit a redshift in the spectrum. In this work, I study the optical properties of hexagonal graphene nanodots by using a configuration interaction approach and reveal that the edge of the absorption spectrum shows an abnormal blueshift as the environmental dielectric constant ɛr decreases. The two dominant many-body effects in the nanodot: the quasiparticle and excitonic effects are both found to scale almost linearly with ɛr-1. The former is shown to have a larger proportionality constant and thus accounts for the blueshift of the absorption edge. In contrast to the long-range Coulomb interaction, the on-site Coulomb energy is found to have a negative impact on the bright excitonic states. In the presence of a strong dielectric screening effect, a strong short-range Coulomb interaction is revealed to be responsible for the disintegration of the bright exciton.

  10. Graphene nanoribbons on gold: understanding superlubricity and edge effects

    NASA Astrophysics Data System (ADS)

    Gigli, L.; Manini, N.; Benassi, A.; Tosatti, E.; Vanossi, A.; Guerra, R.

    2017-12-01

    We address the atomistic nature of the longitudinal static friction against sliding of graphene nanoribbons (GNRs) deposited on gold, a system whose structural and mechanical properties have been recently the subject of intense experimental investigation. By means of numerical simulations and modeling we show that the GNR interior is structurally lubric (‘superlubric’) so that the static friction is dominated by the front/tail regions of the GNR, where the residual uncompensated lateral forces arising from the interaction with the underneath gold surface opposes the free sliding. As a result of this edge pinning the static friction does not grow with the GNR length, but oscillates around a fairly constant mean value. These friction oscillations are explained in terms of the GNR-Au(111) lattice mismatch: at certain GNR lengths close to an integer number of the beat (or moiré) length there is good force compensation and superlubric sliding; whereas close to half odd-integer periods there is significant pinning of the edge with larger friction. These results make qualitative contact with recent state-of-the-art atomic force microscopy experiment, as well as with the sliding of other different incommensurate systems.

  11. Electrically tunable robust edge states in graphene-based topological photonic crystal slabs

    NASA Astrophysics Data System (ADS)

    Song, Zidong; Liu, HongJun; Huang, Nan; Wang, ZhaoLu

    2018-03-01

    Topological photonic crystals are optical structures supporting topologically protected unidirectional edge states that exhibit robustness against defects. Here, we propose a graphene-based all-dielectric photonic crystal slab structure that supports two-dimensionally confined topological edge states. These topological edge states can be confined in the out-of-plane direction by two parallel graphene sheets. In the structure, the excitation frequency range of topological edge states can be dynamically and continuously tuned by varying bias voltage across the two parallel graphene sheets. Utilizing this kind of architecture, we construct Z-shaped channels to realize topological edge transmission with diffrerent frequencies. The proposal provides a new degree of freedom to dynamically control topological edge states and potential applications for robust integrated photonic devices and optical communication systems.

  12. Zigzagging Across Pluto

    NASA Image and Video Library

    2015-12-16

    This high-resolution swat of Pluto sweeps over the cratered plains at the west of the New Horizons' encounter hemisphere and across numerous prominent faults, skimming the eastern margin of the dark, forbidding region informally known as Cthulhu Regio, and finally passing over the mysterious, possibly cryovolcanic edifice Wright Mons, before reaching the terminator or day-night line. Among the many notable details shown are the overlapping and infilling relationships between units of the relatively smooth, bright volatile ices from Sputnik Planum (at the edge of the mosaic) and the dark edge or "shore" of Cthulhu. The pictures in this mosaic were taken by the Long Range Reconnaissance Imager (LORRI) in "ride-along" mode with the LEISA spectrometer, which accounts for the 'zigzag' or step pattern. Taken shortly before New Horizons' July 14 closest approach to Pluto, details as small as 500 yards (500 meters) can be seen. http://photojournal.jpl.nasa.gov/catalog/PIA20286

  13. Graphene microsheets enter cells through spontaneous membrane penetration at edge asperities and corner sites

    PubMed Central

    Li, Yinfeng; Yuan, Hongyan; von dem Bussche, Annette; Creighton, Megan; Hurt, Robert H.; Kane, Agnes B.; Gao, Huajian

    2013-01-01

    Understanding and controlling the interaction of graphene-based materials with cell membranes is key to the development of graphene-enabled biomedical technologies and to the management of graphene health and safety issues. Very little is known about the fundamental behavior of cell membranes exposed to ultrathin 2D synthetic materials. Here we investigate the interactions of graphene and few-layer graphene (FLG) microsheets with three cell types and with model lipid bilayers by combining coarse-grained molecular dynamics (MD), all-atom MD, analytical modeling, confocal fluorescence imaging, and electron microscopic imaging. The imaging experiments show edge-first uptake and complete internalization for a range of FLG samples of 0.5- to 10-μm lateral dimension. In contrast, the simulations show large energy barriers relative to kBT for membrane penetration by model graphene or FLG microsheets of similar size. More detailed simulations resolve this paradox by showing that entry is initiated at corners or asperities that are abundant along the irregular edges of fabricated graphene materials. Local piercing by these sharp protrusions initiates membrane propagation along the extended graphene edge and thus avoids the high energy barrier calculated in simple idealized MD simulations. We propose that this mechanism allows cellular uptake of even large multilayer sheets of micrometer-scale lateral dimension, which is consistent with our multimodal bioimaging results for primary human keratinocytes, human lung epithelial cells, and murine macrophages. PMID:23840061

  14. Intercalating cobalt between graphene and iridium (111): Spatially dependent kinetics from the edges

    NASA Astrophysics Data System (ADS)

    Vlaic, Sergio; Rougemaille, Nicolas; Kimouche, Amina; Burgos, Benito Santos; Locatelli, Andrea; Coraux, Johann

    2017-10-01

    Using low-energy electron microscopy, we image in real time the intercalation of a cobalt monolayer between graphene and the (111) surface of iridium. Our measurements reveal that the edges of a graphene flake represent an energy barrier to intercalation. Based on a simple description of the growth kinetics, we estimate this energy barrier and find small, but substantial, local variations. These local variations suggest a possible influence of the graphene orientation with respect to its substrate and of the graphene edge termination on the energy value of the barrier height. Besides, our measurements show that intercalated cobalt is energetically more favorable than cobalt on bare iridium, indicating a surfactant role of graphene.

  15. Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons

    PubMed Central

    Tan, Yuan-Zhi; Yang, Bo; Parvez, Khaled; Narita, Akimitsu; Osella, Silvio; Beljonne, David; Feng, Xinliang; Müllen, Klaus

    2013-01-01

    Chemical functionalization is one of the most powerful and widely used strategies to control the properties of nanomaterials, particularly in the field of graphene. However, the ill-defined structure of the present functionalized graphene inhibits atomically precise structural characterization and structure-correlated property modulation. Here we present a general edge chlorination protocol for atomically precise functionalization of nanographenes at different scales from 1.2 to 3.4 nm and its application in graphene nanoribbons. The well-defined edge chlorination is unambiguously confirmed by X-ray single-crystal analysis, which also discloses the characteristic non-planar molecular shape and detailed bond lengths of chlorinated nanographenes. Chlorinated nanographenes and graphene nanoribbons manifest enhanced solution processability associated with decreases in the optical band gap and frontier molecular orbital energy levels, exemplifying the structure-correlated property modulation by precise edge chlorination. PMID:24212200

  16. LT-STM/STS studies of clean armchair edge

    NASA Astrophysics Data System (ADS)

    Ju, Zheng; Zhang, Wenhan; Wu, Weida; Weida Wu Team

    It was predicted and observed that the passivated zigzag edges of graphene host highly localized edge state. This edge state is predicted to be spin-polarized, which is appealing for spintronic applications. In contrast, no edge state was expected at passivated armchair graphene edge. Here we report low temperature scanning tunneling microscopy and spectroscopy (STM/STS) studies of electronic properties of clean monoatomic step edges on cleaved surface of HOPG. Most of step edges are armchair edges, in agreement with previous STM results. We observed only (√{ 3} ×√{ 3}) R30° superstructure near armchair edges, which has been reported in previous STM studies. On the other hand, no honeycomb superstructure was observed in our STM data. In addition, our STM results reveal an intriguing localized electronic state at clean armchair edges. Spectroscopic and spatial evolution of this edge state will be presented. This work is supported by NSF DMR-1506618.

  17. Valley-polarized edge pseudomagnetoplasmons in graphene: A two-component hydrodynamic model

    NASA Astrophysics Data System (ADS)

    Zhang, Ya; Guo, Bin; Zhai, Feng; Jiang, Wei

    2018-03-01

    By means of a nonlinear two-component hydrodynamic model, we study the valley-polarized collective motion of electrons in a strained graphene sheet. The self-consistent numerical solution in real space indicates the existence of valley-polarized edge plasmons due to a strain-induced pseudomagnetic field. The valley polarization of the edge pseudomagnetoplasmon can occur in a specific valley, depending on the pseudomagnetic field and the electron density in equilibrium. A full valley polarization is achieved at the edge of the graphene sheet for a pseudomagnetic field of tens of Tesla, which is a realistic value in current experimental technologies.

  18. Gate-Controlled Transmission of Quantum Hall Edge States in Bilayer Graphene.

    PubMed

    Li, Jing; Wen, Hua; Watanabe, Kenji; Taniguchi, Takashi; Zhu, Jun

    2018-02-02

    The edge states of the quantum Hall and fractional quantum Hall effect of a two-dimensional electron gas carry key information of the bulk excitations. Here we demonstrate gate-controlled transmission of edge states in bilayer graphene through a potential barrier with tunable height. The backscattering rate is continuously varied from 0 to close to 1, with fractional quantized values corresponding to the sequential complete backscattering of individual modes. Our experiments demonstrate the feasibility to controllably manipulate edge states in bilayer graphene, thus opening the door to more complex experiments.

  19. Gate-Controlled Transmission of Quantum Hall Edge States in Bilayer Graphene

    NASA Astrophysics Data System (ADS)

    Li, Jing; Wen, Hua; Watanabe, Kenji; Taniguchi, Takashi; Zhu, Jun

    2018-02-01

    The edge states of the quantum Hall and fractional quantum Hall effect of a two-dimensional electron gas carry key information of the bulk excitations. Here we demonstrate gate-controlled transmission of edge states in bilayer graphene through a potential barrier with tunable height. The backscattering rate is continuously varied from 0 to close to 1, with fractional quantized values corresponding to the sequential complete backscattering of individual modes. Our experiments demonstrate the feasibility to controllably manipulate edge states in bilayer graphene, thus opening the door to more complex experiments.

  20. Graphene electron cannon: High-current edge emission from aligned graphene sheets

    SciTech Connect

    Liu, Jianlong; Li, Nannan; Guo, Jing

    2014-01-13

    High-current field emitters are made by graphene paper consist of aligned graphene sheets. Field emission luminance pattern shows that their electron beams can be controlled by rolling the graphene paper from sheet to cylinder. These specific electron beams would be useful to vacuum devices and electron beam lithograph. To get high-current emission, the graphene paper is rolled to array and form graphene cannon. Due to aligned emission array, graphene cannon have high emission current. Besides high emission current, the graphene cannon is also tolerable with excellent emission stability. With good field emission properties, these aligned graphene emitters bring application insight.

  1. How lithium atoms affect the first hyperpolarizability of BN edge-doped graphene.

    PubMed

    Song, Yao-Dong; Wu, Li-Ming; Chen, Qiao-Ling; Liu, Fa-Kun; Tang, Xiao-Wen

    2016-01-01

    How do lithium atoms affect the first hyperpolarizability (β0) of boron-nitrogen (BN) edge-doped graphene. In this work, using pentacene as graphene model, Lin@BN-1 edge-doped pentacene and Lin@BN-2 edge-doped pentacene (n = 1, 5) were designed to study this problem. First, two models (BN-1 edge-doped pentacene, and BN-2 edge-doped pentacene ) were formed by doping the BN into the pentacene with different order, and then Li@BN-1 edge-doped pentacene and Li@ BN-2 edge-doped pentacene were obtained by substituting the H atom in BN edge-doped pentacene with a Li atom. The results show that the first hyperpolarizabilities of BN-1 edge-doped pentacene and Li@BN-1 edge-doped pentacene were 4059 a.u. and 6249 a.u., respectively; the first hyperpolarizabilities of BN-2 edge-doped pentacene and Li@BN-2 edge-doped pentacene were 2491 a.u. and 4265 a.u., respectively. The results indicate that the effect of Li substitution is to greatly increase the β0 value. To further enhance the first hyperpolarizability, Li5@ BN-1 edge-doped pentacene and Li5@BN-2 edge-doped pentacene were designed, and were found to exhibit considerably larger first hyperpolarizabilities (β0) (12,112 a.u. and 7921a.u., respectively). This work may inspire further study of the nonlinear properties of BN edge-doped graphene.

  2. Helium ion microscopy of graphene: beam damage, image quality and edge contrast

    NASA Astrophysics Data System (ADS)

    Fox, D.; Zhou, Y. B.; O'Neill, A.; Kumar, S.; Wang, J. J.; Coleman, J. N.; Duesberg, G. S.; Donegan, J. F.; Zhang, H. Z.

    2013-08-01

    A study to analyse beam damage, image quality and edge contrast in the helium ion microscope (HIM) has been undertaken. The sample investigated was graphene. Raman spectroscopy was used to quantify the disorder that can be introduced into the graphene as a function of helium ion dose. The effects of the dose on both freestanding and supported graphene were compared. These doses were then correlated directly to image quality by imaging graphene flakes at high magnification. It was found that a high magnification image with a good signal to noise ratio will introduce very significant sample damage. A safe imaging dose of the order of 1013 He+ cm-2 was established, with both graphene samples becoming highly defective at doses over 5 × 1014 He+ cm-2. The edge contrast of a freestanding graphene flake imaged in the HIM was then compared with the contrast of the same flake observed in a scanning electron microscope and a transmission electron microscope. Very strong edge sensitivity was observed in the HIM. This enhanced edge sensitivity over the other techniques investigated makes the HIM a powerful nanoscale dimensional metrology tool, with the capability of both fabricating and imaging features with sub-nanometre resolution.

  3. Graphene nanoFlakes with large spin.

    PubMed

    Wang, Wei L; Meng, Sheng; Kaxiras, Efthimios

    2008-01-01

    We investigate, using benzenoid graph theory and first-principles calculations, the magnetic properties of arbitrarily shaped finite graphene fragments to which we refer as graphene nanoflakes (GNFs). We demonstrate that the spin of a GNF depends on its shape due to topological frustration of the pi-bonds. For example, a zigzag-edged triangular GNF has a nonzero net spin, resembling an artificial ferrimagnetic atom, with the spin value scaling with its linear size. In general, the principle of topological frustration can be used to introduce large net spin and interesting spin distributions in graphene. These results suggest an avenue to nanoscale spintronics through the sculpting of graphene fragments.

  4. Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene/Guanine Interface - A Proposal for High Mobility, Organic Graphene Field Effect Transistors

    DTIC Science & Technology

    2015-07-01

    AFRL-AFOSR-UK-TR-2015-0034 Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine...Interface – A Proposal for High Mobility, Organic Graphene Field Effect Transistors Eva Campo BANGOR UNIVERSITY COLLEGE ROAD BANGOR...April 2015 4. TITLE AND SUBTITLE Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine Interface - A

  5. Dynamic Tunneling Junctions at the Atomic Intersection of Two Twisted Graphene Edges.

    PubMed

    Bellunato, Amedeo; Vrbica, Sasha D; Sabater, Carlos; de Vos, Erik W; Fermin, Remko; Kanneworff, Kirsten N; Galli, Federica; van Ruitenbeek, Jan M; Schneider, Grégory F

    2018-04-11

    The investigation of the transport properties of single molecules by flowing tunneling currents across extremely narrow gaps is relevant for challenges as diverse as the development of molecular electronics and sequencing of DNA. The achievement of well-defined electrode architectures remains a technical challenge, especially due to the necessity of high precision fabrication processes and the chemical instability of most bulk metals. Here, we illustrate a continuously adjustable tunneling junction between the edges of two twisted graphene sheets. The unique property of the graphene electrodes is that the sheets are rigidly supported all the way to the atomic edge. By analyzing the tunneling current characteristics, we also demonstrate that the spacing across the gap junction can be controllably adjusted. Finally, we demonstrate the transition from the tunneling regime to contact and the formation of an atomic-sized junction between the two edges of graphene.

  6. Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

    PubMed Central

    Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.

    2014-01-01

    Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

  7. Dynamic Tunneling Junctions at the Atomic Intersection of Two Twisted Graphene Edges

    PubMed Central

    2018-01-01

    The investigation of the transport properties of single molecules by flowing tunneling currents across extremely narrow gaps is relevant for challenges as diverse as the development of molecular electronics and sequencing of DNA. The achievement of well-defined electrode architectures remains a technical challenge, especially due to the necessity of high precision fabrication processes and the chemical instability of most bulk metals. Here, we illustrate a continuously adjustable tunneling junction between the edges of two twisted graphene sheets. The unique property of the graphene electrodes is that the sheets are rigidly supported all the way to the atomic edge. By analyzing the tunneling current characteristics, we also demonstrate that the spacing across the gap junction can be controllably adjusted. Finally, we demonstrate the transition from the tunneling regime to contact and the formation of an atomic-sized junction between the two edges of graphene. PMID:29513997

  8. Anomalous Insulator-Metal Transition in Boron Nitride-Graphene Hybrid Atomic Layers

    DTIC Science & Technology

    2012-08-13

    REPORT Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers 14 . ABSTRACT 16. SECURITY CLASSIFICATION OF: The study of...from the DFT calculation. The calculated transmission through a N terminated zigzag edged h-BN nanodomain embedded in graphene is shown in Fig. 14 , with...Energy ε − ε F (eV) 0 0.5 1 1.5 2 Tr an sm is si on FIG. 14 . (Color online) Transmission through a N terminated zigzag edged h-BN nanodomain embedded in

  9. Large-area graphene films by simple solution casting of edge-selectively functionalized graphite.

    PubMed

    Bae, Seo-Yoon; Jeon, In-Yup; Yang, Jieun; Park, Noejung; Shin, Hyeon Suk; Park, Sungjin; Ruoff, Rodney S; Dai, Liming; Baek, Jong-Beom

    2011-06-28

    We report edge-selective functionalization of graphite (EFG) for the production of large-area uniform graphene films by simply solution-casting EFG dispersions in dichloromethane on silicon oxide substrates, followed by annealing. The resultant graphene films show ambipolar transport properties with sheet resistances of 0.52-3.11 kΩ/sq at 63-90% optical transmittance. EFG allows solution processing methods for the scalable production of electrically conductive, optically transparent, and mechanically robust flexible graphene films for use in practice.

  10. Tuning the band structure of graphene nanoribbons through defect-interaction-driven edge patterning

    NASA Astrophysics Data System (ADS)

    Du, Lin; Nguyen, Tam N.; Gilman, Ari; Muniz, André R.; Maroudas, Dimitrios

    2017-12-01

    We report a systematic analysis of pore-edge interactions in graphene nanoribbons (GNRs) and their outcomes based on first-principles calculations and classical molecular-dynamics simulations. We find a strong attractive interaction between nanopores and GNR edges that drives the pores to migrate toward and coalesce with the GNR edges, which can be exploited to form GNR edge patterns that impact the GNR electronic band structure and tune the GNR band gap. Our analysis introduces a viable physical processing strategy for modifying GNR properties by combining defect engineering and thermal annealing.

  11. Plasmonic eigenmodes in individual and bow-tie graphene nanotriangles

    NASA Astrophysics Data System (ADS)

    Wang, Weihua; Christensen, Thomas; Jauho, Antti-Pekka; Thygesen, Kristian S.; Wubs, Martijn; Mortensen, N. Asger

    2015-04-01

    In classical electrodynamics, nanostructured graphene is commonly modeled by the computationally demanding problem of a three-dimensional conducting film of atomic-scale thickness. Here, we propose an efficient alternative two-dimensional electrostatic approach where all calculation procedures are restricted to the graphene sheet. Furthermore, to explore possible quantum effects, we perform tight-binding calculations, adopting a random-phase approximation. We investigate multiple plasmon modes in 20 nm equilateral triangles of graphene, treating the optical response classically as well as quantum mechanically. Compared to the classical plasmonic spectrum which is ``blind'' to the edge termination, we find that the quantum plasmon frequencies exhibit blueshifts in the case of armchair edge termination of the underlying atomic lattice, while redshifts are found for zigzag edges. Furthermore, we find spectral features in the zigzag case which are associated with electronic edge states not present for armchair termination. Merging pairs of triangles into dimers, plasmon hybridization leads to energy splitting that appears strongest in classical calculations while splitting is lower for armchair edges and even more reduced for zigzag edges. Our various results illustrate a surprising phenomenon: Even 20 nm large graphene structures clearly exhibit quantum plasmonic features due to atomic-scale details in the edge termination.

  12. Stacked 3D RRAM Array with Graphene/CNT as Edge Electrodes

    PubMed Central

    Bai, Yue; Wu, Huaqiang; Wang, Kun; Wu, Riga; Song, Lin; Li, Tianyi; Wang, Jiangtao; Yu, Zhiping; Qian, He

    2015-01-01

    There are two critical challenges which determine the array density of 3D RRAM: 1) the scaling limit in both horizontal and vertical directions; 2) the integration of selector devices in 3D structure. In this work, we present a novel 3D RRAM structure using low-dimensional materials, including 2D graphene and 1D carbon nanotube (CNT), as the edge electrodes. A two-layer 3D RRAM with monolayer graphene as edge electrode is demonstrated. The electrical results reveal that the RRAM devices could switch normally with this very thin edge electrode at nanometer scale. Meanwhile, benefited from the asymmetric carrier transport induced by Schottky barrier at metal/CNT and oxide/CNT interfaces, a selector built-in 3D RRAM structure using CNT as edge electrode is successfully fabricated and characterized. Furthermore, the discussion of high array density potential is presented. PMID:26348797

  13. Stacked 3D RRAM Array with Graphene/CNT as Edge Electrodes.

    PubMed

    Bai, Yue; Wu, Huaqiang; Wang, Kun; Wu, Riga; Song, Lin; Li, Tianyi; Wang, Jiangtao; Yu, Zhiping; Qian, He

    2015-09-08

    There are two critical challenges which determine the array density of 3D RRAM: 1) the scaling limit in both horizontal and vertical directions; 2) the integration of selector devices in 3D structure. In this work, we present a novel 3D RRAM structure using low-dimensional materials, including 2D graphene and 1D carbon nanotube (CNT), as the edge electrodes. A two-layer 3D RRAM with monolayer graphene as edge electrode is demonstrated. The electrical results reveal that the RRAM devices could switch normally with this very thin edge electrode at nanometer scale. Meanwhile, benefited from the asymmetric carrier transport induced by Schottky barrier at metal/CNT and oxide/CNT interfaces, a selector built-in 3D RRAM structure using CNT as edge electrode is successfully fabricated and characterized. Furthermore, the discussion of high array density potential is presented.

  14. Determining the Gaussian Modulus and Edge Properties of 2D Materials: From Graphene to Lipid Bilayers

    NASA Astrophysics Data System (ADS)

    Zelisko, Matthew; Ahmadpoor, Fatemeh; Gao, Huajian; Sharma, Pradeep

    2017-08-01

    The dominant deformation behavior of two-dimensional materials (bending) is primarily governed by just two parameters: bending rigidity and the Gaussian modulus. These properties also set the energy scale for various important physical and biological processes such as pore formation, cell fission and generally, any event accompanied by a topological change. Unlike the bending rigidity, the Gaussian modulus is, however, notoriously difficult to evaluate via either experiments or atomistic simulations. In this Letter, recognizing that the Gaussian modulus and edge tension play a nontrivial role in the fluctuations of a 2D material edge, we derive closed-form expressions for edge fluctuations. Combined with atomistic simulations, we use the developed approach to extract the Gaussian modulus and edge tension at finite temperatures for both graphene and various types of lipid bilayers. Our results possibly provide the first reliable estimate of this elusive property at finite temperatures and appear to suggest that earlier estimates must be revised. In particular, we show that, if previously estimated properties are employed, the graphene-free edge will exhibit unstable behavior at room temperature. Remarkably, in the case of graphene, we show that the Gaussian modulus and edge tension even change sign at finite temperatures.

  15. VO2 nanoparticles on edge orientated graphene foam for high rate lithium ion batteries and supercapacitors

    NASA Astrophysics Data System (ADS)

    Ren, Guofeng; Zhang, Ruibo; Fan, Zhaoyang

    2018-05-01

    With the fully exposed graphene edges, high conductivity and large surface area, edge oriented graphene foam (EOGF), prepared by deposition of perpendicular graphene network encircling the struts of Ni foam, is a superior scaffold to support active materials for electrochemical applications. With VO2 as an example, EOGF loaded VO2 nanoparticle (VO2/EOGF) electrode has high rate performance as cathode in lithium ion batteries (LIBs). In addition to the Li+ intercalation into the lattice, contribution of non-diffusion-limited pseudocapacitance to the capacity is prominent at high rates. VO2/EOGF based supercapacitor also exhibits fast response, with a characteristic frequency of 15 Hz when the phase angle reaches -45°, or a relaxation time constant of 66.7 ms. These results suggest the promising potential of EOGF as a scaffold in supporting active nanomaterials for electrochemical energy storage and other applications.

  16. Fermi-edge transmission resonance in graphene driven by a single Coulomb impurity.

    PubMed

    Karnatak, Paritosh; Goswami, Srijit; Kochat, Vidya; Pal, Atindra Nath; Ghosh, Arindam

    2014-07-11

    The interaction between the Fermi sea of conduction electrons and a nonadiabatic attractive impurity potential can lead to a power-law divergence in the tunneling probability of charge through the impurity. The resulting effect, known as the Fermi edge singularity (FES), constitutes one of the most fundamental many-body phenomena in quantum solid state physics. Here we report the first observation of FES for Dirac fermions in graphene driven by isolated Coulomb impurities in the conduction channel. In high-mobility graphene devices on hexagonal boron nitride substrates, the FES manifests in abrupt changes in conductance with a large magnitude ≈e(2)/h at resonance, indicating total many-body screening of a local Coulomb impurity with fluctuating charge occupancy. Furthermore, we exploit the extreme sensitivity of graphene to individual Coulomb impurities and demonstrate a new defect-spectroscopy tool to investigate strongly correlated phases in graphene in the quantum Hall regime.

  17. Planar edge Schottky barrier-tunneling transistors using epitaxial graphene/SiC junctions.

    PubMed

    Kunc, Jan; Hu, Yike; Palmer, James; Guo, Zelei; Hankinson, John; Gamal, Salah H; Berger, Claire; de Heer, Walt A

    2014-09-10

    A purely planar graphene/SiC field effect transistor is presented here. The horizontal current flow over one-dimensional tunneling barrier between planar graphene contact and coplanar two-dimensional SiC channel exhibits superior on/off ratio compared to conventional transistors employing vertical electron transport. Multilayer epitaxial graphene (MEG) grown on SiC(0001̅) was adopted as the transistor source and drain. The channel is formed by the accumulation layer at the interface of semi-insulating SiC and a surface silicate that forms after high vacuum high temperature annealing. Electronic bands between the graphene edge and SiC accumulation layer form a thin Schottky barrier, which is dominated by tunneling at low temperatures. A thermionic emission prevails over tunneling at high temperatures. We show that neglecting tunneling effectively causes the temperature dependence of the Schottky barrier height. The channel can support current densities up to 35 A/m.

  18. Redox-dependent spatially resolved electrochemistry at graphene and graphite step edges.

    PubMed

    Güell, Aleix G; Cuharuc, Anatolii S; Kim, Yang-Rae; Zhang, Guohui; Tan, Sze-yin; Ebejer, Neil; Unwin, Patrick R

    2015-04-28

    The electrochemical (EC) behavior of mechanically exfoliated graphene and highly oriented pyrolytic graphite (HOPG) is studied at high spatial resolution in aqueous solutions using Ru(NH3)6(3+/2+) as a redox probe whose standard potential sits close to the intrinsic Fermi level of graphene and graphite. When scanning electrochemical cell microscopy (SECCM) data are coupled with that from complementary techniques (AFM, micro-Raman) applied to the same sample area, different time-dependent EC activity between the basal planes and step edges is revealed. In contrast, other redox couples (ferrocene derivatives) whose potential is further removed from the intrinsic Fermi level of graphene and graphite show uniform and high activity (close to diffusion-control). Macroscopic voltammetric measurements in different environments reveal that the time-dependent behavior after HOPG cleavage, peculiar to Ru(NH3)6(3+/2+), is not associated particularly with any surface contaminants but is reasonably attributed to the spontaneous delamination of the HOPG with time to create partially coupled graphene layers, further supported by conductive AFM measurements. This process has a major impact on the density of states of graphene and graphite edges, particularly at the intrinsic Fermi level to which Ru(NH3)6(3+/2+) is most sensitive. Through the use of an improved voltammetric mode of SECCM, we produce movies of potential-resolved and spatially resolved HOPG activity, revealing how enhanced activity at step edges is a subtle effect for Ru(NH3)6(3+/2+). These latter studies allow us to propose a microscopic model to interpret the EC response of graphene (basal plane and edges) and aged HOPG considering the nontrivial electronic band structure.

  19. Controllable Edge Oxidation and Bubbling Exfoliation Enable the Fabrication of High Quality Water Dispersible Graphene

    PubMed Central

    Tian, Suyun; Sun, Jing; Yang, Siwei; He, Peng; Wang, Gang; Di, Zengfeng; Ding, Guqiao; Xie, Xiaoming; Jiang, Mianheng

    2016-01-01

    Despite significant progresses made on mass production of chemically exfoliated graphene, the quality, cost and environmental friendliness remain major challenges for its market penetration. Here, we present a fast and green exfoliation strategy for large scale production of high quality water dispersible few layer graphene through a controllable edge oxidation and localized gas bubbling process. Mild edge oxidation guarantees that the pristine sp2 lattice is largely intact and the edges are functionalized with hydrophilic groups, giving rise to high conductivity and good water dispersibility at the same time. The aqueous concentration can be as high as 5.0 mg mL−1, which is an order of magnitude higher than previously reports. The water soluble graphene can be directly spray-coated on various substrates, and the back-gated field effect transistor give hole and electron mobility of ~496 and ~676 cm2 V−1 s−1, respectively. These results achieved are expected to expedite various applications of graphene. PMID:27666869

  20. Controllable Edge Oxidation and Bubbling Exfoliation Enable the Fabrication of High Quality Water Dispersible Graphene.

    PubMed

    Tian, Suyun; Sun, Jing; Yang, Siwei; He, Peng; Wang, Gang; Di, Zengfeng; Ding, Guqiao; Xie, Xiaoming; Jiang, Mianheng

    2016-09-26

    Despite significant progresses made on mass production of chemically exfoliated graphene, the quality, cost and environmental friendliness remain major challenges for its market penetration. Here, we present a fast and green exfoliation strategy for large scale production of high quality water dispersible few layer graphene through a controllable edge oxidation and localized gas bubbling process. Mild edge oxidation guarantees that the pristine sp 2 lattice is largely intact and the edges are functionalized with hydrophilic groups, giving rise to high conductivity and good water dispersibility at the same time. The aqueous concentration can be as high as 5.0 mg mL -1 , which is an order of magnitude higher than previously reports. The water soluble graphene can be directly spray-coated on various substrates, and the back-gated field effect transistor give hole and electron mobility of ~496 and ~676 cm 2 V -1 s -1 , respectively. These results achieved are expected to expedite various applications of graphene.

  1. Controllable Edge Oxidation and Bubbling Exfoliation Enable the Fabrication of High Quality Water Dispersible Graphene

    NASA Astrophysics Data System (ADS)

    Tian, Suyun; Sun, Jing; Yang, Siwei; He, Peng; Wang, Gang; di, Zengfeng; Ding, Guqiao; Xie, Xiaoming; Jiang, Mianheng

    2016-09-01

    Despite significant progresses made on mass production of chemically exfoliated graphene, the quality, cost and environmental friendliness remain major challenges for its market penetration. Here, we present a fast and green exfoliation strategy for large scale production of high quality water dispersible few layer graphene through a controllable edge oxidation and localized gas bubbling process. Mild edge oxidation guarantees that the pristine sp2 lattice is largely intact and the edges are functionalized with hydrophilic groups, giving rise to high conductivity and good water dispersibility at the same time. The aqueous concentration can be as high as 5.0 mg mL-1, which is an order of magnitude higher than previously reports. The water soluble graphene can be directly spray-coated on various substrates, and the back-gated field effect transistor give hole and electron mobility of ~496 and ~676 cm2 V-1 s-1, respectively. These results achieved are expected to expedite various applications of graphene.

  2. Perspectives on the Growth of High Edge Density Carbon Nanostructures: Transitions from Vertically Oriented Graphene Nanosheets to Graphenated Carbon Nanotubes

    PubMed Central

    2015-01-01

    Insights into the growth of high edge density carbon nanostructures were achieved by a systematic parametric study of plasma-enhanced chemical vapor deposition (PECVD). Such structures are important for electrode performance in a variety of applications such as supercapacitors, neural stimulation, and electrocatalysis. A morphological trend was observed as a function of temperature whereby graphenated carbon nanotubes (g-CNTs) emerged as an intermediate structure between carbon nanotubes (CNTs) at lower temperatures and vertically oriented carbon nanosheets (CNS), composed of few-layered graphene, at higher temperatures. This is the first time that three distinct morphologies and dimensionalities of carbon nanostructures (i.e., 1D CNTs, 2D CNSs, and 3D g-CNTs) have been synthesized in the same reaction chamber by varying only a single parameter (temperature). A design of experiments (DOE) approach was utilized to understand the range of growth permitted in a microwave PECVD reactor, with a focus on identifying graphenated carbon nanotube growth within the process space. Factors studied in the experimental design included temperature, gas ratio, catalyst thickness, pretreatment time, and deposition time. This procedure facilitates predicting and modeling high edge density carbon nanostructure characteristics under a complete range of growth conditions that yields various morphologies of nanoscale carbon. Aside from the morphological trends influenced by temperature, a relationship between deposition temperature and specific capacitance emerged from the DOE study. Transmission electron microscopy was also used to understand the morphology and microstructure of the various high edge density structures. From these results, a new graphene foliate formation mechanism is proposed for synthesis of g-CNTs in a single deposition process. PMID:25089165

  3. Quenching of the Quantum Hall Effect in Graphene with Scrolled Edges

    NASA Astrophysics Data System (ADS)

    Cresti, Alessandro; Fogler, Michael M.; Guinea, Francisco; Castro Neto, A. H.; Roche, Stephan

    2012-04-01

    Edge nanoscrolls are shown to strongly influence transport properties of suspended graphene in the quantum Hall regime. The relatively long arclength of the scrolls in combination with their compact transverse size results in formation of many nonchiral transport channels in the scrolls. They short circuit the bulk current paths and inhibit the observation of the quantized two-terminal resistance. Unlike competing theoretical proposals, this mechanism of disrupting the Hall quantization in suspended graphene is not caused by ill-chosen placement of the contacts, singular elastic strains, or a small sample size.

  4. Finite-size effect on the dynamic and sensing performances of graphene resonators: the role of edge stress.

    PubMed

    Kim, Chang-Wan; Dai, Mai Duc; Eom, Kilho

    2016-01-01

    We have studied the finite-size effect on the dynamic behavior of graphene resonators and their applications in atomic mass detection using a continuum elastic model such as modified plate theory. In particular, we developed a model based on von Karman plate theory with including the edge stress, which arises from the imbalance between the coordination numbers of bulk atoms and edge atoms of graphene. It is shown that as the size of a graphene resonator decreases, the edge stress depending on the edge structure of a graphene resonator plays a critical role on both its dynamic and sensing performances. We found that the resonance behavior of graphene can be tuned not only through edge stress but also through nonlinear vibration, and that the detection sensitivity of a graphene resonator can be controlled by using the edge stress. Our study sheds light on the important role of the finite-size effect in the effective design of graphene resonators for their mass sensing applications.

  5. Mach-Zehnder interferometry using spin- and valley-polarized quantum Hall edge states in graphene.

    PubMed

    Wei, Di S; van der Sar, Toeno; Sanchez-Yamagishi, Javier D; Watanabe, Kenji; Taniguchi, Takashi; Jarillo-Herrero, Pablo; Halperin, Bertrand I; Yacoby, Amir

    2017-08-01

    Confined to a two-dimensional plane, electrons in a strong magnetic field travel along the edge in one-dimensional quantum Hall channels that are protected against backscattering. These channels can be used as solid-state analogs of monochromatic beams of light, providing a unique platform for studying electron interference. Electron interferometry is regarded as one of the most promising routes for studying fractional and non-Abelian statistics and quantum entanglement via two-particle interference. However, creating an edge-channel interferometer in which electron-electron interactions play an important role requires a clean system and long phase coherence lengths. We realize electronic Mach-Zehnder interferometers with record visibilities of up to 98% using spin- and valley-polarized edge channels that copropagate along a pn junction in graphene. We find that interchannel scattering between same-spin edge channels along the physical graphene edge can be used to form beamsplitters, whereas the absence of interchannel scattering along gate-defined interfaces can be used to form isolated interferometer arms. Surprisingly, our interferometer is robust to dephasing effects at energies an order of magnitude larger than those observed in pioneering experiments on GaAs/AlGaAs quantum wells. Our results shed light on the nature of edge-channel equilibration and open up new possibilities for studying exotic electron statistics and quantum phenomena.

  6. Topological winding properties of spin edge states in the Kane-Mele graphene model

    NASA Astrophysics Data System (ADS)

    Wang, Zhigang; Hao, Ningning; Zhang, Ping

    2009-09-01

    We study the spin edge states in the quantum spin-Hall (QSH) effect on a single-atomic layer graphene-ribbon system with both intrinsic and Rashba spin-orbit couplings. The Harper equation for solving the energies of the spin edge states is derived. The results show that in the QSH phase, there are always two pairs of gapless spin-filtered edge states in the bulk energy gap, corresponding to two pairs of zero points of the Bloch function on the complex-energy Riemann surface (RS). The topological aspect of the QSH phase can be distinguished by the difference of the winding numbers of the spin edge states with different polarized directions cross the holes of the RS, which is equivalent to the Z2 topological invariance proposed by Kane and Mele [Phys. Rev. Lett. 95, 146802 (2005)].

  7. How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?

    PubMed

    Rungnim, Chompoonut; Chanajaree, Rungroj; Rungrotmongkol, Thanyada; Hannongbua, Supot; Kungwan, Nawee; Wolschann, Peter; Karpfen, Alfred; Parasuk, Vudhichai

    2016-04-01

    The adsorption of nucleobase-analog anticancer drugs (fluorouracil, thioguanine, and mercaptopurine) on a graphene flake (C54H18) was investigated by shifting the site at which adsorption occurs from one end of the sheet to the other end. The counterpoise-corrected M06-2X/cc-pVDZ binding energies revealed that the binding stability decreases in the sequence thioguanine > mercaptopurine > fluorouracil. We found that adsorption near the middle of the sheet is more favorable than adsorption near the edge due to the edge effect. This edge effect is stronger for the adsorption of thioguanine or mercaptopurine than for fluorouracil adsorption. However, the edge effect reduces the binding energy of the drug to the flake by only a small amount, <5 kcal/mol, depending on the adsorption site and the alignment of the drug at this site.

  8. Edge mixing dynamics in graphene p–n junctions in the quantum Hall regime

    PubMed Central

    Matsuo, Sadashige; Takeshita, Shunpei; Tanaka, Takahiro; Nakaharai, Shu; Tsukagoshi, Kazuhito; Moriyama, Takahiro; Ono, Teruo; Kobayashi, Kensuke

    2015-01-01

    Massless Dirac electron systems such as graphene exhibit a distinct half-integer quantum Hall effect, and in the bipolar transport regime co-propagating edge states along the p–n junction are realized. Additionally, these edge states are uniformly mixed at the junction, which makes it a unique structure to partition electrons in these edge states. Although many experimental works have addressed this issue, the microscopic dynamics of electron partition in this peculiar structure remains unclear. Here we performed shot-noise measurements on the junction in the quantum Hall regime as well as at zero magnetic field. We found that, in sharp contrast with the zero-field case, the shot noise in the quantum Hall regime is finite in the bipolar regime, but is strongly suppressed in the unipolar regime. Our observation is consistent with the theoretical prediction and gives microscopic evidence that the edge states are uniquely mixed along the p–n junction. PMID:26337445

  9. Gate-controlled tunneling of quantum Hall edge states in bilayer graphene

    NASA Astrophysics Data System (ADS)

    Zhu, Jun; Li, Jing; Wen, Hua

    Controlled tunneling of integer and fractional quantum Hall edge states provides a powerful tool to probe the physics of 1D systems and exotic particle statistics. Experiments in GaAs 2DEGs employ either a quantum point contact or a line junction tunnel barrier. It is generally difficult to independently control the filling factors νL and νR on the two sides of the barrier. Here we show that in bilayer graphene both νL and νR as well as their Landau level structures can be independently controlled using a dual-split-gate structure. In addition, the height of the line-junction tunnel barrier implemented in our experiments is tunable via a 5th gate. By measuring the tunneling resistance across the junction RT we examine the equilibration of the edge states in a variety of νL/νR scenarios and under different barrier heights. Edge states from both sides are fully mixed in the case of a low barrier. As the barrier height increases, we observe plateaus in RT that correspond to sequential complete backscattering of edge states. Gate-controlled manipulation of edge states offers a new angle to the exploration of quantum Hall magnetism and fractional quantum Hall effect in bilayer graphene.

  10. Edge effects in vertically-oriented graphene based electric double-layer capacitors

    NASA Astrophysics Data System (ADS)

    Yang, Huachao; Yang, Jinyuan; Bo, Zheng; Zhang, Shuo; Yan, Jianhua; Cen, Kefa

    2016-08-01

    Vertically-oriented graphenes (VGs) have been demonstrated as a promising active material for electric double-layer capacitors (EDLCs), partially due to their edge-enriched structure. In this work, the 'edge effects', i.e., edges as the promoters of high capacitance, in VG based EDLCs are investigated with experimental research and numerical simulations. VGs with diverse heights (i.e., edge-to-basal ratios) and edge densities are prepared with varying the plasma-enabled growth time and employing different plasma sources. Electrochemical measurements show that the edges play a predominant role on the charge storage behavior of VGs. A simulation is further conducted to unveil the roles of the edges on the separation and adsorption of ions within VG channels. The initial charge distribution of a VG plane is obtained with density functional theory (DFT) calculations, which is subsequently applied to a molecular dynamics (MD) simulation system to gain the insights into the microscope EDLC structures. Compared with the basal planes, the edges present higher initial charge density (by 4.2 times), higher ion packing density (by 2.6 times), closer ion packing location (by 0.8 Å), and larger ion separation degree (by 14%). The as-obtained findings will be instructive in designing the morphology and structure of VGs for enhanced capacitive performances.

  11. Mach-Zehnder interferometry using broken symmetry quantum Hall edges in graphene

    NASA Astrophysics Data System (ADS)

    Wei, Di; van der Sar, Toeno; Sanchez-Yamagishi, Javier; Watanabe, Kenji; Taniguchi, Takashi; Jarillo-Herrero, Pablo; Halperin, Bertrand; Yacoby, Amir

    Graphene has emerged as a unique platform for studying electron optics, particularly in the presence of a magnetic field. Here, we engineer a Mach-Zehnder interferometer using quantum Hall edge states that co-propagate along a single gate-defined NP interface. We use encapsulated monolayer graphene, clean enough to lift the four-fold spin and valley degeneracy. In order to create two separate co-propagating paths, we exploit the suppression of edge state scattering along gate defined edges, and use scattering sites at the ends of the NP interface to form our beam splitters. We observe conductance oscillations as a function of magnetic and electric field indicative of coherent transport, and measure values consistent with spin-selective scattering. We can tune our interferometer to regimes of high visibility (>98 %), surpassing the values reported for GaAs quantum-well Mach-Zehnder interferometers. These results demonstrate a promising method to observe interference between fractional charges in graphene.

  12. Helical edge states and fractional quantum Hall effect in a graphene electron-hole bilayer

    NASA Astrophysics Data System (ADS)

    Sanchez-Yamagishi, Javier D.; Luo, Jason Y.; Young, Andrea F.; Hunt, Benjamin M.; Watanabe, Kenji; Taniguchi, Takashi; Ashoori, Raymond C.; Jarillo-Herrero, Pablo

    2017-02-01

    Helical 1D electronic systems are a promising route towards realizing circuits of topological quantum states that exhibit non-Abelian statistics. Here, we demonstrate a versatile platform to realize 1D systems made by combining quantum Hall (QH) edge states of opposite chiralities in a graphene electron-hole bilayer at moderate magnetic fields. Using this approach, we engineer helical 1D edge conductors where the counterpropagating modes are localized in separate electron and hole layers by a tunable electric field. These helical conductors exhibit strong non-local transport signals and suppressed backscattering due to the opposite spin polarizations of the counterpropagating modes. Unlike other approaches used for realizing helical states, the graphene electron-hole bilayer can be used to build new 1D systems incorporating fractional edge states. Indeed, we are able to tune the bilayer devices into a regime hosting fractional and integer edge states of opposite chiralities, paving the way towards 1D helical conductors with fractional quantum statistics.

  13. Electrical manipulation of edge states in graphene and the effect on quantum Hall transport

    NASA Astrophysics Data System (ADS)

    Ostahie, B.; NiÅ£ǎ, M.; Aldea, A.

    2015-04-01

    We investigate the properties of Dirac electrons in a finite graphene sample under a perpendicular magnetic field that emerge when an in-plane electric bias is also applied. The numerical analysis of the Hofstadter spectrum and of the edge-type wave functions evidence the presence of shortcut edge states that appear under the influence of the electric field. The states are characterized by a specific spatial distribution, which follows only partially the perimeter, and exhibit ridges that connect opposite sides of the graphene plaquette. Two kinds of such states have been found in different regions of the spectrum, and their particular spatial localization is shown along with the diamagnetic moments that reveal their chirality. By simulating a four-lead Hall device, we investigate the transport properties and observe unconventional plateaus of the integer quantum Hall effect that are associated with the presence of the shortcut edge states. We show the contributions of the novel states to the conductance matrix that determine the new transport properties. The shortcut edge states resulting from the splitting of the n =0 Landau level represent a special case, giving rise to nontrivial transverse and longitudinal resistance.

  14. Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Wang, Hongtao; Li, Kun; Cheng, Yingchun; Wang, Qingxiao; Yao, Yingbang; Schwingenschlögl, Udo; Zhang, Xixiang; Yang, Wei

    2012-04-01

    Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms.Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. Electronic supplementary information (ESI) available: Additional Figures for characterization of mono-layer CVD graphene samples with free edges and Pt atoms decorations and analysis of the effect of electron irradiation; supporting movie on edge evolution. See DOI: 10.1039/c2nr00059h

  15. Thermally induced spin-dependent current based on Zigzag Germanene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Majidi, Danial; Faez, Rahim

    2017-02-01

    In this paper, using first principle calculation and non-equilibrium Green's function, the thermally induced spin current in Hydrogen terminated Zigzag-edge Germanene Nanoribbon (ZGeNR-H) is investigated. In this model, because of the difference between the source and the drain temperature of ZGeNR device, the spin up and spin down currents flow in the opposite direction with two different threshold temperatures (Tth). Hence, a pure spin polarized current which belongs to spin down is obtained. It is shown that, for temperatures above the threshold temperature spin down current increases with the increasing temperature up to 75 K and then decreases. But spin up current rises steadily and in the high temperature we can obtain polarized spin up current. In addition, we show an acceptable spin current around the room temperature for ZGeNR. The transmission peaks in ZGeNR which are closer to the Fermi level rather than Zigzag Graphene Nanoribbon (ZGNRS) which causes ZGeNR to have spin current at higher temperatures. Finally, it is indicated that by tuning the back gate voltage, the spin current can be completely modulated and polarized. Simulation results verify the Zigzag Germanene Nanoribbon as a promising candidate for spin caloritronics devices, which can be applied in future low power consumption technology.

  16. Formation of Graphene Grain Boundaries on Cu(100) Surface and a Route Towards Their Elimination in Chemical Vapor Deposition Growth

    NASA Astrophysics Data System (ADS)

    Yuan, Qinghong; Song, Guangyao; Sun, Deyan; Ding, Feng

    2014-10-01

    Grain boundaries (GBs) in graphene prepared by chemical vapor deposition (CVD) greatly degrade the electrical and mechanical properties of graphene and thus hinder the applications of graphene in electronic devices. The seamless stitching of graphene flakes can avoid GBs, wherein the identical orientation of graphene domain is required. In this letter, the graphene orientation on one of the most used catalyst surface -- Cu(100) surface, is explored by density functional theory (DFT) calculations. Our calculation demonstrates that a zigzag edged hexagonal graphene domain on a Cu(100) surface has two equivalent energetically preferred orientations, which are 30 degree away from each other. Therefore, the fusion of graphene domains on Cu(100) surface during CVD growth will inevitably lead to densely distributed GBs in the synthesized graphene. Aiming to solve this problem, a simple route, that applies external strain to break the symmetry of the Cu(100) surface, was proposed and proved efficient.

  17. Optical properties of graphene nanoflakes: Shape matters

    SciTech Connect

    Mansilla Wettstein, Candela; Bonafé, Franco P.; Sánchez, Cristián G., E-mail: cgsanchez@fcq.unc.edu.ar

    In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNFmore » size, which shows three very distinct trends for different shapes and edge geometries.« less

  18. Tunable resonances due to vacancies in graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Bahamon, D. A.; Pereira, A. L. C.; Schulz, P. A.

    2010-10-01

    The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on the effect of the distance to the edges and intervacancies spacing. An involved interplay of vacancies sublattice location and nanoribbon edge termination, together with the spacing parameters lead to a wide conductance resonance line-shape modification. Turning on a magnetic field introduces a new length scale that unveils counterintuitive aspects of the interplay between purely geometric aspects of the system and the underlying atomic scale nature of graphene.

  19. Anisotropic Hydrogen Etching of Chemical Vapor Deposited Graphene

    NASA Astrophysics Data System (ADS)

    Zhang, Yi; Li, Zhen; Zhang, Luyao; Kim, Pyojae; Zhou, Chongwu

    2012-02-01

    In terms of the preparation of graphene, chemical vapor deposition (CVD) has raised its popularity as a scalable and cost effective approach for graphene synthesis. While the formation of graphene on copper foil has been intensively studied, the reverse reaction of graphene reacts with hydrogen has not been systematically studied. In this talk we will present a simple, clean, and highly anisotropic hydrogen etching method for CVD graphene catalyzed by the copper substrate. By exposing CVD graphene on copper foil to hydrogen flow around 800 ^oC, we observed that the initially continuous graphene can be etched to have many hexagonal openings. In addition, we found that the etching is temperature dependent and the etching of graphene at 800 oC is most efficient and anisotropic. 80% of the angles of graphene edges after etching are 120^o, indicating the etching is highly anisotropic. No increase of D band along the etched edges indicates that the crystallographic orientation of etching is zigzag direction. Furthermore, we observed that copper played an important role in catalyzing the etching reaction, as no etching was observed for graphene transferred to Si/SiO2 under similar conditions. This highly anisotropic hydrogen etching technology may work as a simple and convenient way to determine graphene crystal orientation and grain size, and may enable the etching of graphene into nanoribbons for electronic applications.

  20. Selective Equilibration of Spin-Polarized Quantum Hall Edge States in Graphene

    NASA Astrophysics Data System (ADS)

    Amet, F.; Williams, J. R.; Watanabe, K.; Taniguchi, T.; Goldhaber-Gordon, D.

    2014-05-01

    We report on transport measurements of dual-gated, single-layer graphene devices in the quantum Hall regime, allowing for independent control of the filling factors in adjoining regions. Progress in device quality allows us to study scattering between edge states when the fourfold degeneracy of the Landau level is lifted by electron correlations, causing edge states to be spin and/or valley polarized. In this new regime, we observe a dramatic departure from the equilibration seen in more disordered devices: edge states with opposite spins propagate without mixing. As a result, the degree of equilibration inferred from transport can reveal the spin polarization of the ground state at each filling factor. In particular, the first Landau level is shown to be spin polarized at half filling, providing an independent confirmation of a conclusion of Young et al. [Nat. Phys. 8, 550 (2012)]. The conductance in the bipolar regime is strongly suppressed, indicating that copropagating edge states, even with the same spin, do not equilibrate along PN interfaces. We attribute this behavior to the formation of an insulating ν =0 stripe at the PN interface.

  1. Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction

    SciTech Connect

    Milovanović, S. P., E-mail: slavisa.milovanovic@uantwerpen.be; Peeters, F. M., E-mail: francois.peeters@uantwerpen.be; Ramezani Masir, M., E-mail: mrmphys@gmail.com

    2014-09-22

    The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.

  2. Edge-Functionalization of Pyrene as a Miniature Graphene via Friedel–Crafts Acylation Reaction in Poly(Phosphoric Acid)

    PubMed Central

    2010-01-01

    The feasibility of edge-functionalization of graphite was tested via the model reaction between pyrene and 4-(2,4,6-trimethylphenyloxy)benzamide (TMPBA) in poly(phosphoric acid) (PPA)/phosphorous pentoxide (P2O5) medium. The functionalization was confirmed by various characterization techniques. On the basis of the model study, the reaction condition could be extended to the edge-functionalization of graphite with TMPBA. Preliminary results showed that the resultant TMPBA-grafted graphite (graphite-g-TMPBA) was found to be readily dispersible in N-methyl-2-pyrrolidone (NMP) and can be used as a precursor for edge-functionalized graphene (EFG). PMID:21076664

  3. Conductance fluctuation of edge-disordered graphene nanoribbons: Crossover from diffusive transport to Anderson localization

    SciTech Connect

    Takashima, Kengo; Yamamoto, Takahiro, E-mail: takahiro@rs.tus.ac.jp; Department of Liberal Arts

    Conductance fluctuation of edge-disordered graphene nanoribbons (ED-GNRs) is examined using the non-equilibrium Green's function technique combined with the extended Hückel approximation. The mean free path λ and the localization length ξ of the ED-GNRs are determined to classify the quantum transport regimes. In the diffusive regime where the length L{sub c} of the ED-GNRs is much longer than λ and much shorter than ξ, the conductance histogram is given by a Gaussian distribution function with universal conductance fluctuation. In the localization regime where L{sub c}≫ξ, the histogram is no longer the universal Gaussian distribution but a lognormal distribution that characterizesmore » Anderson localization.« less

  4. Transport gap engineering by contact geometry in graphene nanoribbons: Experimental and theoretical studies on artificial materials

    NASA Astrophysics Data System (ADS)

    Stegmann, Thomas; Franco-Villafañe, John A.; Kuhl, Ulrich; Mortessagne, Fabrice; Seligman, Thomas H.

    2017-01-01

    Electron transport in small graphene nanoribbons is studied by microwave emulation experiments and tight-binding calculations. In particular, it is investigated under which conditions a transport gap can be observed. Our experiments provide evidence that armchair ribbons of width 3 m +2 with integer m are metallic and otherwise semiconducting, whereas zigzag ribbons are metallic independent of their width. The contact geometry, defining to which atoms at the ribbon edges the source and drain leads are attached, has strong effects on the transport. If leads are attached only to the inner atoms of zigzag edges, broad transport gaps can be observed in all armchair ribbons as well as in rhomboid-shaped zigzag ribbons. All experimental results agree qualitatively with tight-binding calculations using the nonequilibrium Green's function method.

  5. Edge magnetism of Heisenberg model on honeycomb lattice.

    PubMed

    Huang, Wen-Min; Hikihara, Toshiya; Lee, Yen-Chen; Lin, Hsiu-Hau

    2017-03-07

    Edge magnetism in graphene sparks intense theoretical and experimental interests. In the previous study, we demonstrated the existence of collective excitations at the zigzag edge of the honeycomb lattice with long-ranged Néel order. By employing the Schwinger-boson approach, we show that the edge magnons remain robust even when the long-ranged order is destroyed by spin fluctuations. Furthermore, in the effective field-theory limit, the dynamics of the edge magnon is captured by the one-dimensional relativistic Klein-Gordon equation. It is intriguing that the boundary field theory for the edge magnon is tied up with its bulk counterpart. By performing density-matrix renormalization group calculations, we show that the robustness may be attributed to the closeness between the ground state and the Néel state. The existence of edge magnon is not limited to the honeycomb structure, as demonstrated in the rotated-square lattice with zigzag edges as well. The universal behavior indicates that the edge magnons may attribute to the uncompensated edges and can be detected in many two-dimensional materials.

  6. Iris Segmentation and Normalization Algorithm Based on Zigzag Collarette

    NASA Astrophysics Data System (ADS)

    Rizky Faundra, M.; Ratna Sulistyaningrum, Dwi

    2017-01-01

    In this paper, we proposed iris segmentation and normalization algorithm based on the zigzag collarette. First of all, iris images are processed by using Canny Edge Detection to detect pupil edge, then finding the center and the radius of the pupil with the Hough Transform Circle. Next, isolate important part in iris based zigzag collarette area. Finally, Daugman Rubber Sheet Model applied to get the fixed dimensions or normalization iris by transforming cartesian into polar format and thresholding technique to remove eyelid and eyelash. This experiment will be conducted with a grayscale eye image data taken from a database of iris-Chinese Academy of Sciences Institute of Automation (CASIA). Data iris taken is the data reliable and widely used to study the iris biometrics. The result show that specific threshold level is 0.3 have better accuracy than other, so the present algorithm can be used to segmentation and normalization zigzag collarette with accuracy is 98.88%

  7. Tunable transmission of quantum Hall edge channels with full degeneracy lifting in split-gated graphene devices.

    PubMed

    Zimmermann, Katrin; Jordan, Anna; Gay, Frédéric; Watanabe, Kenji; Taniguchi, Takashi; Han, Zheng; Bouchiat, Vincent; Sellier, Hermann; Sacépé, Benjamin

    2017-04-13

    Charge carriers in the quantum Hall regime propagate via one-dimensional conducting channels that form along the edges of a two-dimensional electron gas. Controlling their transmission through a gate-tunable constriction, also called quantum point contact, is fundamental for many coherent transport experiments. However, in graphene, tailoring a constriction with electrostatic gates remains challenging due to the formation of p-n junctions below gate electrodes along which electron and hole edge channels co-propagate and mix, short circuiting the constriction. Here we show that this electron-hole mixing is drastically reduced in high-mobility graphene van der Waals heterostructures thanks to the full degeneracy lifting of the Landau levels, enabling quantum point contact operation with full channel pinch-off. We demonstrate gate-tunable selective transmission of integer and fractional quantum Hall edge channels through the quantum point contact. This gate control of edge channels opens the door to quantum Hall interferometry and electron quantum optics experiments in the integer and fractional quantum Hall regimes of graphene.

  8. Energetics and formation mechanism of borders between hexagonal boron nitride and graphene

    NASA Astrophysics Data System (ADS)

    Sawahata, Hisaki; Yamanaka, Ayaka; Maruyama, Mina; Okada, Susumu

    2018-06-01

    We studied the energetics of two-dimensional heterostructures consisting of hexagonal boron nitride (h-BN) and graphene with respect to the border structure and heterobond species using density functional theory. A BC heterobond is energetically preferable at the border between h-BN and graphene. We also found that the polarization at the zigzag border increases the total energy of the heterostructures. Competition between the bond formation energy and the polarization energy leads to chiral borders at which BC heterobonds are dominant. By taking the formation process of the heterostructures into account, the zigzag border with BC heterobonds is found to be preferentially synthesized from graphene edges under hydrogen-rich conditions.

  9. Edge-Oriented Graphene on Carbon Nanofiber for High-Frequency Supercapacitors

    NASA Astrophysics Data System (ADS)

    Islam, Nazifah; Warzywoda, Juliusz; Fan, Zhaoyang

    2018-03-01

    High-frequency supercapacitors are being studied with the aim to replace the bulky electrolytic capacitors for current ripple filtering and other functions used in power systems. Here, 3D edge-oriented graphene (EOG) was grown encircling carbon nanofiber (CNF) framework to form a highly conductive electrode with a large surface area. Such EOG/CNF electrodes were tested in aqueous and organic electrolytes for high-frequency supercapacitor development. For the aqueous and the organic cell, the characteristic frequency at - 45° phase angle was found to be as high as 22 and 8.5 kHz, respectively. At 120 Hz, the electrode capacitance density was 0.37 and 0.16 mF cm-2 for the two cells. In particular, the 3 V high-frequency organic cell was successfully tested as filtering capacitor used in AC/DC converter, suggesting the promising potential of this technology for compact power supply design and other applications. [Figure not available: see fulltext.

  10. Oriented graphene nanoribbons embedded in hexagonal boron nitride trenches

    PubMed Central

    Chen, Lingxiu; He, Li; Wang, Hui Shan; Wang, Haomin; Tang, Shujie; Cong, Chunxiao; Xie, Hong; Li, Lei; Xia, Hui; Li, Tianxin; Wu, Tianru; Zhang, Daoli; Deng, Lianwen; Yu, Ting; Xie, Xiaoming; Jiang, Mianheng

    2017-01-01

    Graphene nanoribbons (GNRs) are ultra-narrow strips of graphene that have the potential to be used in high-performance graphene-based semiconductor electronics. However, controlled growth of GNRs on dielectric substrates remains a challenge. Here, we report the successful growth of GNRs directly on hexagonal boron nitride substrates with smooth edges and controllable widths using chemical vapour deposition. The approach is based on a type of template growth that allows for the in-plane epitaxy of mono-layered GNRs in nano-trenches on hexagonal boron nitride with edges following a zigzag direction. The embedded GNR channels show excellent electronic properties, even at room temperature. Such in-plane hetero-integration of GNRs, which is compatible with integrated circuit processing, creates a gapped channel with a width of a few benzene rings, enabling the development of digital integrated circuitry based on GNRs. PMID:28276532

  11. Design and experimental observation of valley-Hall edge states in diatomic-graphene-like elastic waveguides

    NASA Astrophysics Data System (ADS)

    Zhu, Hongfei; Liu, Ting-Wei; Semperlotti, Fabio

    2018-05-01

    We report on the design and experimental validation of a two-dimensional phononic elastic waveguide exhibiting topological valley-Hall edge states. The lattice structure of the waveguide is inspired by diatomic graphene, and it is imprinted in an initially flat plate by means of geometric indentations. The indentations are distributed according to a hexagonal lattice structure which guarantees the existence of Dirac dispersion at the boundary of the Brillouin zone. Starting from this basic material, domain walls capable of supporting edge states can be obtained by contrasting waveguides having broken space-inversion symmetry (SIS) achieved by using local resonant elements. Our theoretical study shows that such material maps into the acoustic analog of the quantum valley-Hall effect, while numerical and experimental results confirm the existence of protected edge states traveling along the walls of topologically distinct domains.

  12. Vibrational modes and frequencies of borophene in comparison with graphene nanosheets

    NASA Astrophysics Data System (ADS)

    Sadeghzadeh, S.; Khatibi, M. M.

    2018-05-01

    In this paper, for the first time, by applying molecular dynamics simulation in conjugation with frequency domain decomposition, it was demonstrated that borophene resonators are at least 100% more efficient than graphene ones. It was also shown that this significant superiority does not arise solely from the difference between the molecular weights of borophene and graphene, but rather from the amazing intrinsic mechanical properties of borophene. Interest in detecting lower masses and lower pressures has led to a scientific race to find resonators with higher resonant frequencies. As a powerful rival of graphene, and used to fabricate sensors with lower-than-zeptogram resolutions, borophene promises enhanced future capabilities. Studies of the effects of geometrical parameters have verified that resonance is fully dependent on resonator size and chirality. The fundamental natural frequency of a rectangular borophene sheet is much higher when its zigzag edge is longer than the armchair edge, but not the other way around. Generally, it can be concluded that a rectangular borophene resonator with a longer zigzag edge achieves a higher resonance than a graphene resonator of equivalent weight. As a final fascinating conclusion: Borophene seems to be superior to graphene in resonance applications.

  13. The Existence of Topological Edge States in Honeycomb Plasmonic Lattices

    NASA Astrophysics Data System (ADS)

    Wang, Li

    In this paper, we investigate the band properties of 2D honeycomb plasmonic lattices consisting of metallic nanoparticles. By means of the coupled dipole method and quasi-static approximation, we theoretically analyze the band structures stemming from near-field interaction of localized surface plasmon polaritons for both the infinite lattice and ribbons. Naturally, the interaction of point dipoles decouples into independent out-of-plane and in-plane polarizations. For the out-of-plane modes, both the bulk spectrum and the range of the momentum k∥ where edge states exist in ribbons are similar to the electronic bands in graphene. Nevertheless, the in-plane polarized modes show significant differences, which do not only possess additional non-flat edge states in ribbons, but also have different distributions of the flat edge states in reciprocal space. For in-plane polarized modes, we derived the bulk-edge correspondence, namely, the relation between the number of flat edge states at a fixed k∥, Zak phases of the bulk bands and the winding number associated with the bulk hamiltonian, and verified it through four typical ribbon boundaries, i.e. zigzag, bearded zigzag, armchair, and bearded armchair. Our approach gives a new topological understanding of edge states in such plasmonic systems, and may also apply to other 2D vector wave systems.

  14. The existence of topological edge states in honeycomb plasmonic lattices

    NASA Astrophysics Data System (ADS)

    Wang, Li; Zhang, Ruo-Yang; Xiao, Meng; Han, Dezhuan; Chan, C. T.; Wen, Weijia

    2016-10-01

    In this paper, we investigate the band properties of 2D honeycomb plasmonic lattices consisting of metallic nanoparticles. By means of the coupled dipole method and quasi-static approximation, we theoretically analyze the band structures stemming from near-field interaction of localized surface plasmon polaritons for both the infinite lattice and ribbons. Naturally, the interaction of point dipoles decouples into independent out-of-plane and in-plane polarizations. For the out-of-plane modes, both the bulk spectrum and the range of the momentum k ∥ where edge states exist in ribbons are similar to the electronic bands in graphene. Nevertheless, the in-plane polarized modes show significant differences, which do not only possess additional non-flat edge states in ribbons, but also have different distributions of the flat edge states in reciprocal space. For in-plane polarized modes, we derived the bulk-edge correspondence, namely, the relation between the number of flat edge states at a fixed {k}\\parallel , Zak phases of the bulk bands and the winding number associated with the bulk Hamiltonian, and verified it through four typical ribbon boundaries, i.e. zigzag, bearded zigzag, armchair, and bearded armchair. Our approach gives a new topological understanding of edge states in such plasmonic systems, and may also apply to other 2D ‘vector wave’ systems.

  15. Graphene nanoribbons production from flat carbon nanotubes

    SciTech Connect

    Melo, W. S.; Guerini, S.; Diniz, E. M., E-mail: eduardo.diniz@ufma.br

    2015-11-14

    Graphene nanoribbons are of great interest for pure and applied sciences due to their unique properties which depend on the nanoribbon edges, as, for example, energy gap and antiferromagnetic coupling. Nevertheless, the synthesis of nanoribbons with well-defined edges remains a challenge. To collaborate with this subject, here we propose a new route for the production of graphene nanoribbons from flat carbon nanotubes filled with a one-dimensional chain of Fe atoms by first principles calculations based on density functional theory. Our results show that Fe-filled flat carbon nanotubes are energetically more stable than non flattened geometries. Also we find that bymore » hydrogenation or oxygenation of the most curved region of the Fe-filled flat armchair carbon nanotube, it occurred a spontaneous production of zigzag graphene nanoribbons which have metallic or semiconducting behavior depending on the edge and size of the graphene nanoribbon. Such findings can be used to create a new method of synthesis of regular-edge carbon nanoribbons.« less

  16. Role of impurities on the optical properties of rectangular graphene flakes

    NASA Astrophysics Data System (ADS)

    Sadeq, Z. S.; Muniz, Rodrigo A.; Sipe, J. E.

    2018-01-01

    We study rectangular graphene flakes using mean field states as the basis for a configuration interaction calculation, which allows us to analyze the low lying electronic excited states including electron correlations beyond the mean field level. We find that the lowest energy transition is polarized along the long axis of the flake, but the charge distributions involved in these transitions are invariably localized on the zigzag edges. We also investigate the impact of both short and long range impurity potentials on the optical properties of these systems. We predict that even a weak impurity localized at a zigzag edge of the flake can have a significant—and often dramatic—effect on its optical properties. This is in contrast to impurities localized at armchair edges or central regions of the flake, for which we predict almost no change to the optical properties of the flake even with strong impurity potentials.

  17. Plasmons in graphene nanoribbons

    DOE PAGES

    Karimi, F.; Knezevic, I.

    2017-09-12

    We calculate the dielectric function and plasmonic response of armchair (aGNRs) and zigzag (zGNRs) graphene nanoribbons using the self-consistent-field approach within the Markovian master equation formalism (SCF-MMEF). We accurately account for electron scattering with phonons, ionized impurities, and line-edge roughness and show that electron scattering with surface optical phonons is much more prominent in GNRs than in graphene. We calculate the loss function, plasmon dispersion, and the plasmon propagation length in supported GNRs. Midinfrared plasmons in supported (3N+2)-aGNRs can propagate as far as several microns at room temperature, with 4–5-nm-wide ribbons having the longest propagation length. In other types ofmore » aGNRs and in zGNRs, the plasmon propagation length seldom exceeds 100 nm. Plasmon propagation lengths are much longer on nonpolar (e.g., diamondlike carbon) than on polar substrates (e.g., SiO 2 or hBN), where electrons scatter strongly with surface optical phonons. In conclusion, we also show that the aGNR plasmon density is nearly uniform across the ribbon, while in zGNRs, because of the highly localized edge states, plasmons of different spin polarization are accumulated near the opposite edges.« less

  18. Charge transport in doped zigzag phosphorene nanoribbons

    NASA Astrophysics Data System (ADS)

    Nourbakhsh, Zahra; Asgari, Reza

    2018-06-01

    The effects of lattice distortion and chemical disorder on charge transport properties of two-terminal zigzag phosphorene nanoribbons (zPNRs), which shows resonant tunneling behavior under an electrical applied bias, are studied. Our comprehensive study is based on ab initio quantum transport calculations on the basis of the Landauer theory. We use nitrogen and silicon substitutional dopant atoms, and employ different physical quantities such as the I -V curve, voltage drop behavior, transmission spectrum, transmission pathway, and atomic current to explore the transport mechanism of zPNR devices under a bias voltage. The calculated transmission pathways show the transition from a ballistic transport regime to a diffusive and in some particular cases to localized transport regimes. Current flowing via the chemical bonds and hopping are monitored; however, the conductance originates mainly from the charge traveling through the chemical bonds in the vicinity of the zigzag edges. Our results show that in the doped systems, the device conductance decreases and the negative differential resistance characteristic becomes weak or is eliminated. Besides, the conductance in a pure zPNR system is almost independent of the ribbon width.

  19. Edge-defect induced spin-dependent Seebeck effect and spin figure of merit in graphene nanoribbons.

    PubMed

    Liu, Qing-Bo; Wu, Dan-Dan; Fu, Hua-Hua

    2017-10-11

    By using the first-principle calculations combined with the non-equilibrium Green's function approach, we have studied spin caloritronic properties of graphene nanoribbons (GNRs) with different edge defects. The theoretical results show that the edge-defected GNRs with sawtooth shapes can exhibit spin-dependent currents with opposite flowing directions by applying temperature gradients, indicating the occurrence of the spin-dependent Seebeck effect (SDSE). The edge defects bring about two opposite effects on the thermal spin currents: the enhancement of the symmetry of thermal spin-dependent currents, which contributes to the realization of pure thermal spin currents, and the decreasing of the spin thermoelectric conversion efficiency of the devices. It is fortunate that applying a gate voltage is an efficient route to optimize these two opposite spin thermoelectric properties towards realistic device applications. Moreover, due to the existence of spin-splitting band gaps, the edge-defected GNRs can be designed as spin-dependent Seebeck diodes and rectifiers, indicating that the edge-defected GNRs are potential candidates for room-temperature spin caloritronic devices.

  20. Large tunable valley splitting in edge-free graphene quantum dots on boron nitride

    NASA Astrophysics Data System (ADS)

    Freitag, Nils M.; Reisch, Tobias; Chizhova, Larisa A.; Nemes-Incze, Péter; Holl, Christian; Woods, Colin R.; Gorbachev, Roman V.; Cao, Yang; Geim, Andre K.; Novoselov, Kostya S.; Burgdörfer, Joachim; Libisch, Florian; Morgenstern, Markus

    2018-05-01

    Coherent manipulation of the binary degrees of freedom is at the heart of modern quantum technologies. Graphene offers two binary degrees: the electron spin and the valley. Efficient spin control has been demonstrated in many solid-state systems, whereas exploitation of the valley has only recently been started, albeit without control at the single-electron level. Here, we show that van der Waals stacking of graphene onto hexagonal boron nitride offers a natural platform for valley control. We use a graphene quantum dot induced by the tip of a scanning tunnelling microscope and demonstrate valley splitting that is tunable from -5 to +10 meV (including valley inversion) by sub-10-nm displacements of the quantum dot position. This boosts the range of controlled valley splitting by about one order of magnitude. The tunable inversion of spin and valley states should enable coherent superposition of these degrees of freedom as a first step towards graphene-based qubits.

  1. Carbon Nanotube-Multilayered Graphene Edge Plane Core-Shell Hybrid Foams for Ultrahigh-Performance Electromagnetic-Interference Shielding.

    PubMed

    Song, Qiang; Ye, Fang; Yin, Xiaowei; Li, Wei; Li, Hejun; Liu, Yongsheng; Li, Kezhi; Xie, Keyu; Li, Xuanhua; Fu, Qiangang; Cheng, Laifei; Zhang, Litong; Wei, Bingqing

    2017-08-01

    Materials with an ultralow density and ultrahigh electromagnetic-interference (EMI)-shielding performance are highly desirable in fields of aerospace, portable electronics, and so on. Theoretical work predicts that 3D carbon nanotube (CNT)/graphene hybrids are one of the most promising lightweight EMI shielding materials, owing to their unique nanostructures and extraordinary electronic properties. Herein, for the first time, a lightweight, flexible, and conductive CNT-multilayered graphene edge plane (MLGEP) core-shell hybrid foam is fabricated using chemical vapor deposition. MLGEPs are seamlessly grown on the CNTs, and the hybrid foam exhibits excellent EMI shielding effectiveness which exceeds 38.4 or 47.5 dB in X-band at 1.6 mm, while the density is merely 0.0058 or 0.0089 g cm -3 , respectively, which far surpasses the best values of reported carbon-based composite materials. The grafted MLGEPs on CNTs can obviously enhance the penetration losses of microwaves in foams, leading to a greatly improved EMI shielding performance. In addition, the CNT-MLGEP hybrids also exhibit a great potential as nano-reinforcements for fabricating high-strength polymer-based composites. The results provide an alternative approach to fully explore the potentials of CNT and graphene, for developing advanced multifunctional materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Effect of room temperature lattice vibration on the electron transport in graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Liu, Yue-Yang; Li, Bo-Lin; Chen, Shi-Zhang; Jiang, Xiangwei; Chen, Ke-Qiu

    2017-09-01

    We observe directly the lattice vibration and its multifold effect on electron transport in zigzag graphene nanoribbons in simulation by utilizing an efficient combined method. The results show that the electron transport fluctuates greatly due to the incessant lattice vibration of the nanoribbons. More interestingly, the lattice vibration behaves like a double-edged sword that it boosts the conductance of symmetric zigzag nanoribbons (containing an even number of zigzag chains along the width direction) while weakens the conductance of asymmetric nanoribbons. As a result, the reported large disparity between the conductances of the two kinds of nanoribbons at 0 K is in fact much smaller at room temperature (300 K). We also find that the spin filter effect that exists in perfect two-dimensional symmetric zigzag graphene nanoribbons is destroyed to some extent by lattice vibrations. Since lattice vibrations or phonons are usually inevitable in experiments, the research is very meaningful for revealing the important role of lattice vibrations play in the electron transport properties of two-dimensional materials and guiding the application of ZGNRs in reality.

  3. Thermal conductivity and thermal rectification in graphene nanoribbons: a molecular dynamics study.

    PubMed

    Hu, Jiuning; Ruan, Xiulin; Chen, Yong P

    2009-07-01

    We have used molecular dynamics to calculate the thermal conductivity of symmetric and asymmetric graphene nanoribbons (GNRs) of several nanometers in size (up to approximately 4 nm wide and approximately 10 nm long). For symmetric nanoribbons, the calculated thermal conductivity (e.g., approximately 2000 W/m-K at 400 K for a 1.5 nm x 5.7 nm zigzag GNR) is on the similar order of magnitude of the experimentally measured value for graphene. We have investigated the effects of edge chirality and found that nanoribbons with zigzag edges have appreciably larger thermal conductivity than nanoribbons with armchair edges. For asymmetric nanoribbons, we have found significant thermal rectification. Among various triangularly shaped GNRs we investigated, the GNR with armchair bottom edge and a vertex angle of 30 degrees gives the maximal thermal rectification. We also studied the effect of defects and found that vacancies and edge roughness in the nanoribbons can significantly decrease the thermal conductivity. However, substantial thermal rectification is observed even in the presence of edge roughness.

  4. Multiscale simulations of the early stages of the growth of graphene on copper

    NASA Astrophysics Data System (ADS)

    Gaillard, P.; Chanier, T.; Henrard, L.; Moskovkin, P.; Lucas, S.

    2015-07-01

    We have performed multiscale simulations of the growth of graphene on defect-free copper (111) in order to model the nucleation and growth of graphene flakes during chemical vapour deposition and potentially guide future experimental work. Basic activation energies for atomic surface diffusion were determined by ab initio calculations. Larger scale growth was obtained within a kinetic Monte Carlo approach (KMC) with parameters based on the ab initio results. The KMC approach counts the first and second neighbours to determine the probability of surface diffusion. We report qualitative results on the size and shape of the graphene islands as a function of deposition flux. The dominance of graphene zigzag edges for low deposition flux, also observed experimentally, is explained by its larger dynamical stability that the present model fully reproduced.

  5. Entanglement and magnetism in high-spin graphene nanodisks

    NASA Astrophysics Data System (ADS)

    Hagymási, I.; Legeza, Ö.

    2018-01-01

    We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate many-body techniques since the widely used density-functional theory with local density approximation or Hartree-Fock methods cannot handle the strong quantum fluctuations. Applying the unbiased density-matrix renormalization group algorithm we calculate the magnetization and entanglement patterns with high accuracy for different interaction strengths and compare them to the mean-field results. With the help of quantum information analysis and subsystem density matrices we reveal that the edges are strongly entangled with each other. We also address the effect of electron and hole doping and demonstrate that the magnetic properties of triangular nanoflakes can be controlled by an electric field, which reveals features of flat-band ferromagnetism. This may open up new avenues in graphene based spintronics.

  6. Giant rectification in graphene nanoflake molecular devices with asymmetric graphene nanoribbon electrodes

    NASA Astrophysics Data System (ADS)

    Ji, Xiao-Li; Xie, Zhen; Zuo, Xi; Zhang, Guang-Ping; Li, Zong-Liang; Wang, Chuan-Kui

    2016-09-01

    By applying density functional theory based nonequilibrium Green's function method, we theoretically investigate the electron transport properties of a zigzag-edged trigonal graphene nanoflake (ZTGNF) sandwiched between two asymmetric zigzag graphene nanoribbon (zGNR) and armchair graphene nanoribbon (aGNR) electrodes with carbon atomic chains (CACs) as the anchoring groups. Significant rectifying effects have been observed for these molecular devices in low bias voltage regions. Interestingly, the rectifying performance of molecular devices can be optimized by changing the width of the aGNR electrode and the number of anchoring CACs. Especially, the molecular device displays giant rectification ratios up to the order of 104 when two CACs are used as the anchoring group between the ZTGNF and the right aGNR electrode. Further analysis indicates that the asymmetric shift of the perturbed molecular energy levels and the spatial parity of the electron wavefunctions in the electrodes around the Fermi level play key roles in determining the rectification performance. And the spatial distributions of tunneling electron wavefunctions under negative bias voltages can be modified to be very localized by changing the number of anchoring CACs, which is found to be the origin of the giant rectification ratios.

  7. Photo-oxidative doping in π-conjugated zig-zag chain of carbon atoms with sulfur-functional group

    NASA Astrophysics Data System (ADS)

    Ikeura-Sekiguchi, Hiromi; Sekiguchi, Tetsuhiro

    2017-12-01

    Photo-oxidative doping processes were studied for the trans-polyacetylene backbone with the -SCH3 side group as a chemically representative of the precisely controlled S-functionalized zig-zag graphene nanoribbon edge. Sulfur K-edge X-ray absorption near edge structure (XANES) spectroscopy indicates that photochemical reaction of S-CH3 with atmospheric O2 forms selectively oxidized products such as -S(O)CH3 and -SO3- bound to the polyacetylene (PA) backbone. Using the correlation between the oxidation states of sulfur and the XANES peak positions, the partial charge distribution of CH3Sδ+-PAδ- has been estimated. Such positively charged sulfur atoms can attract higher electronegative oxygen atoms and expect to enhance the photooxidization capabilities. The formation of the -SO3- side group is evidently responsible for hole doping into the PA backbone. The results can provide some strategy for area-selective and controllable doping processes of atomic-scale molecular systems with the assistance of UV light.

  8. From Kondo to local singlet state in graphene nanoribbons with magnetic impurities

    NASA Astrophysics Data System (ADS)

    Diniz, G. S.; Luiz, G. I.; Latgé, A.; Vernek, E.

    2018-03-01

    A detailed analysis of the Kondo effect of a magnetic impurity in a zigzag graphene nanoribbon is addressed. An adatom is coupled to the graphene nanoribbon via a hybridization amplitude Γimp in a hollow- or top-site configuration. In addition, the adatom is also weakly coupled to a metallic scanning tunnel microscope (STM) tip by a hybridization function Γtip that provides a Kondo screening of its magnetic moment. The entire system is described by an Anderson-like Hamiltonian whose low-temperature physics is accessed by employing the numerical renormalization-group approach, which allows us to obtain the thermodynamic properties used to compute the Kondo temperature of the system. We find two screening regimes when the adatom is close to the edge of the zigzag graphene nanoribbon: (1) a weak-coupling regime (Γimp≪Γtip ), in which the edge states produce an enhancement of the Kondo temperature TK, and (2) a strong-coupling regime (Γimp≫Γtip ), in which a local singlet is formed, to the detriment of the Kondo screening by the STM tip. These two regimes can be clearly distinguished by the dependence of their characteristic temperature T* on the coupling between the adatom and the carbon sites of the graphene nanoribbon Vimp. We observe that in the weak-coupling regime T* increases exponentially with Vimp2. Differently, in the strong-coupling regime, T* increases linearly with Vimp2.

  9. Optimization of the nanotwin-induced zigzag surface of copper by electromigration

    NASA Astrophysics Data System (ADS)

    Chen, Hsin-Ping; Huang, Chun-Wei; Wang, Chun-Wen; Wu, Wen-Wei; Liao, Chien-Neng; Chen, Lih-Juann; Tu, King-Ning

    2016-01-01

    By adding nanotwins to Cu, the surface electromigration (EM) slows down. The atomic mobility of the surface step-edges is retarded by the triple points where a twin meets a free surface to form a zigzag-type surface. We observed that EM can alter the zigzag surface structure to optimize the reduction of EM, according to Le Chatelier's principle. Statistically, the optimal alternation is to change an arbitrary (111)/(hkl) zigzag pair to a pair having a very low index (hkl) plane, especially the (200) plane. Using in situ ultrahigh vacuum and high-resolution transmission electron microscopy, we examined the effects of different zigzag surfaces on the rate of EM. The calculated rate of surface EM can be decreased by a factor of ten.By adding nanotwins to Cu, the surface electromigration (EM) slows down. The atomic mobility of the surface step-edges is retarded by the triple points where a twin meets a free surface to form a zigzag-type surface. We observed that EM can alter the zigzag surface structure to optimize the reduction of EM, according to Le Chatelier's principle. Statistically, the optimal alternation is to change an arbitrary (111)/(hkl) zigzag pair to a pair having a very low index (hkl) plane, especially the (200) plane. Using in situ ultrahigh vacuum and high-resolution transmission electron microscopy, we examined the effects of different zigzag surfaces on the rate of EM. The calculated rate of surface EM can be decreased by a factor of ten. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr05418d

  10. The interaction of mercury with halogenated graphene

    NASA Astrophysics Data System (ADS)

    Kirchofer, Abigail; Sasmaz, Erdem; Wilcox, Jennifer

    2011-03-01

    The interaction of mercury with halogenated graphene was studied using plane-wave density functional theory. Various configurations of H, Hg, O and Br or Cl on the zigzag edge sites of graphene were investigated. Although Hg-Br (or -Cl) complexes were found to be stable on the surface, the most stable configurations found were those with Hg adjacent to O. The surface atoms Hg, O, and Br tend to repel each other during geometric optimization, moving towards an H atom nearest-neighbor where possible. The strength of the Hg-graphene interaction is very sensitive to the local environment. The Hg-graphene binding energy is strongest when the Hg is located next to a surface O but not immediately next to a bound Br. DOS analysis revealed that Hg adsorption involves a gain in Hg 6 p-states and a loss in Hg 5 s electron density, resulting in an oxidized surface-bound Hg complex. DOS analysis suggests that Br strengthens the Hg-graphene interaction by modifying the surface carbon electron density; however, when Br is adjacent to Hg, a direct Hg-Br interaction weakens the Hg-C bond. These investigations provide insight into the mechanism associated with enhanced Hg adsorption on Br-functionalized carbon materials for Hg emissions reductions from coal-fired power plant applications. The authors acknowledge the financial support by Electric Power Research Institute (EPRI).

  11. Graphene toxicity as a double-edged sword of risks and exploitable opportunities: a critical analysis of the most recent trends and developments

    NASA Astrophysics Data System (ADS)

    Volkov, Yuri; McIntyre, Jennifer; Prina-Mello, Adriele

    2017-06-01

    Increased production volumes and a broadening application spectrum of graphene have raised concerns about its potential adverse effects on human health. Numerous reports demonstrate that graphene irrespective of its particular form exerts its effects on a widest range of living organisms, including prokaryotic bacteria and viruses, plants, micro- and macro-invertebrates, mammalian and human cells and whole animals in vivo. However, the available experimental data is frequently a matter of significant divergence and even controversy. Therefore, we provide here a critical analysis of the most recent (2015-2016) reports accumulated in the graphene-related materials biocompatibility and toxicology field in order to elucidate the cutting edge achievements, emerging trends and future opportunities in the area. Experimental findings from the diverse in vitro and in vivo model systems are analysed in the context of the most likely graphene exposure scenarios, such as respiratory inhalation, ingestion route, parenteral administration and topical exposure through the skin. Key factors influencing the toxicity of graphene and its complex derivatives as well as potential risk mitigation approaches exploiting graphene physicochemical properties, surface modifications and possible degradation pathways are also discussed along with its emerging applications for healthcare, diagnostics and innovative therapeutic approaches.

  12. Phospholipid dynamics in graphene of different topologies: predictive modeling

    NASA Astrophysics Data System (ADS)

    Glukhova, O. E.; Slepchenkov, M. M.

    2017-02-01

    The subject of our scientific interest is the dynamics of the phospholipid molecules into a corrugated graphene sheet. According to our assumption by changing the topology of graphene properly it is possible to find the ways for management of the selective localization of phospholipid molecules to form the desired configuration of these structures. We considered DPPC (dipalmitoylphosphatidylcholine) phospholipids, which are the part of cell membranes and lipoproteins. We investigated the behavior of the phospholipids on the graphene sheet consisting of 1710 atoms with the size of 6.9 nm along the zigzag edge and 6.25 nm along the armchair edge. The numerical experiment was carried out using the original AMBER/AIREBO hybrid method with Lennard-Jones potential to describe the interaction between unbound atoms of different structures. The temperature was maintained at 300 K during the numerical experiment. All numerical experiments were performed using KVAZAR software system. We considered several cases of corrugated graphene with different width and dept of the corrugation. Special attention in our work was paid to the orientation of the phospholipids in the plane of graphene sheet.

  13. Structural evolution of fluorinated graphene upon molten-alkali treatment probed by X-ray absorption near-edge structure spectroscopy

    NASA Astrophysics Data System (ADS)

    Liang, Xianqing; Pan, Deyou; Lao, Ming; Liang, Shuiying; Huang, Dan; Zhou, Wenzheng; Guo, Jin

    2017-05-01

    The structural evolution of fluorinated graphene (FG) nanosheets upon molten-alkali treatment has been systematically investigated utilizing X-ray absorption near-edge structure (XANES) spectroscopy. It is found that the hydroxyl groups can progressively displace fluorine atoms to form covalent bonds to the graphene sheets under designed molten-alkali condition. The XANES spectra also reveal the formation of epoxide groups through intramolecular dehydration of neighbouring hydroxyl groups after substitution reaction. At high alkali-FG weight ratio, the restoration of the π-conjugated structure in graphene sheets can be observed due to the gradual decomposition of epoxide groups. Our experimental results indicate that the surface chemistry and electronic structure of hydroxyl-functionalized FG (HFG) can be readily tuned by varying the ratio of reactants.

  14. Novel Synthesis of Slightly Fluorinated Graphene Quantum Dots with Luminescent and Paramagnetic Properties through Thermal Cutting of Fluorinated Graphene

    PubMed Central

    Feng, Qian; Xiao, Wenqing; Zheng, Yongping; Lin, Yuda; Li, Jiaxin; Ye, Qingying; Huang, Zhigao

    2018-01-01

    A novel approach has been developed to synthesize slightly fluorinated graphene quantum dots (GQDs-F) through thermal cutting of highly fluorinated graphene. The fluorinated graphene with substantial structure defects is fragile and is readily attacked. The direct evaporation of abundant CFn (n = 2, 3) groups near structure defects lead to the loss of adjacent skelton C atoms, and the fluorinated graphene can be thermally cut into GQDs-F with a relatively uniform nanosize in pyrolysis at 810 K. The GQDs-F with a low F/C atomic ratio of ca. 0.03 exhibit excitation wavelength-dependent properties with multicolor photoluminescence (PL) from blue to green. At the same time, F adatoms that are most likely located at the edges of GQDs-F have a high efficiency of introducing paramagnetic centres, and GQDs-F show a strong paramagnetism because of sp3-type defects and magnetic zigzag edges. The graphene quantum dots with such multimodal capabilities should have great applied value in material science. PMID:29316730

  15. Nonlocal superconducting correlations in graphene in the quantum Hall regime

    NASA Astrophysics Data System (ADS)

    Beconcini, Michael; Polini, Marco; Taddei, Fabio

    2018-05-01

    We study Andreev processes and nonlocal transport in a three-terminal graphene-superconductor hybrid system under a quantizing perpendicular magnetic field [G.-H. Lee et al., Nat. Phys. 13, 693 (2017), 10.1038/nphys4084]. We find that the amplitude of the crossed Andreev reflection (CAR) processes crucially depends on the orientation of the lattice. By employing Landauer-Büttiker scattering theory, we find that CAR is generally very small for a zigzag edge, while for an armchair edge it can be larger than the normal transmission, thereby resulting in a negative nonlocal resistance. In the case of an armchair edge and with a wide superconducting region (as compared to the superconducting coherence length), CAR exhibits large oscillations as a function of the magnetic field due to interference effects. This results in sign changes of the nonlocal resistance.

  16. Equilibration of quantum hall edge states and its conductance fluctuations in graphene p-n junctions

    NASA Astrophysics Data System (ADS)

    Kumar, Chandan; Kuiri, Manabendra; Das, Anindya

    2018-02-01

    We report an observation of conductance fluctuations (CFs) in the bipolar regime of quantum hall (QH) plateaus in graphene (p-n-p/n-p-n) devices. The CFs in the bipolar regime are shown to decrease with increasing bias and temperature. At high temperature (above 7 K) the CFs vanishes completely and the flat quantized plateaus are recovered in the bipolar regime. The values of QH plateaus are in theoretical agreement based on full equilibration of chiral channels at the p-n junction. The amplitude of CFs for different filling factors follows a trend predicted by the random matrix theory. Although, there are mismatch in the values of CFs between the experiment and theory but at higher filling factors the experimental values become closer to the theoretical prediction. The suppression of CFs and its dependence has been understood in terms of time dependent disorders present at the p-n junctions.

  17. Core-protective half-metallicity in trilayer graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Jeon, Gi Wan; Lee, Kyu Won; Lee, Cheol Eui

    2017-07-01

    Half-metals, playing an important role in spintronics, can be described as materials that enable fully spin-polarized electrical current. Taking place in graphene-based materials, half-metallicity has been shown in zigzag-edged graphene nanoribbons (ZGNRs) under an electric field. Localized electron states on the edge carbons are a key to enabling half-metallicity in ZGNRs. Thus, modification of the localized electron states is instrumental to the carbon-based spintronics. Our simple model shows that in a trilayer ZGNRs (triZGNRs) only the middle layer may become half-metallic leaving the outer layers insulating in an electric field, as confirmed by our density functional theory (DFT) calculations. Due to the different circumstances of the edge carbons, the electron energies at the edge carbons are different near the Fermi level, leading to a layer-selective half-metallicity. We believe that triZGNRs can be the tiniest electric cable (nanocable) form and can open a route to graphene-based spintronics applications.

  18. I-V characteristics of in-plane and out-of-plane strained edge-hydrogenated armchair graphene nanoribbons

    SciTech Connect

    Cartamil-Bueno, S. J., E-mail: s.j.cartamilbueno@tudelft.nl, E-mail: rbolivar@ugr.es; Rodríguez-Bolívar, S., E-mail: s.j.cartamilbueno@tudelft.nl, E-mail: rbolivar@ugr.es

    2015-06-28

    The effects of tensile strain on the current-voltage (I-V) characteristics of hydrogenated-edge armchair graphene nanoribbons are investigated by using DFT theory. The strain is introduced in two different ways related to the two types of systems studied in this work: in-plane strained systems (A) and out-of-plane strained systems due to bending (B). These two kinds of strain lead to make a distinction among three cases: in-plane strained systems with strained electrodes (A1) and with unstrained electrodes (A2), and out-of-plane homogeneously strained systems with unstrained, fixed electrodes (B). The systematic simulations to calculate the electronic transmission between two electrodes were focusedmore » on systems of 8 and 11 dimers in width. The results show that the differences between cases A2 and B are negligible, even though the strain mechanisms are different: in the plane case, the strain is uniaxial along its length; while in the bent case, the strain is caused by the arc deformation. Based on the study, a new type of nanoelectromechanical system solid state switching device is proposed.« less

  19. Ultrahigh-rate supercapacitors with large capacitance based on edge oriented graphene coated carbonized cellulous paper as flexible freestanding electrodes

    NASA Astrophysics Data System (ADS)

    Ren, Guofeng; Li, Shiqi; Fan, Zhao-Xia; Hoque, Md Nadim Ferdous; Fan, Zhaoyang

    2016-09-01

    Large-capacitance and ultrahigh-rate electrochemical supercapacitors (UECs) with frequency response up to kilohertz (kHz) range are reported using light, thin, and flexible freestanding electrodes. The electrode is formed by perpendicularly edge oriented multilayer graphene/thin-graphite (EOG) sheets grown radially around individual fibers in carbonized cellulous paper (CCP), with cellulous carbonization and EOG deposition implemented in one step. The resulted ∼10 μm thick EOG/CCP electrode is light and flexible. The oriented porous structure of EOG with large surface area, in conjunction with high conductivity of the electrode, ensures ultrahigh-rate performance of the fabricated cells, with large areal capacitance of 0.59 mF cm-2 and 0.53 mF cm-2 and large phase angle of -83° and -80° at 120 Hz and 1 kHz, respectively. Particularly, the hierarchical EOG/CCP sheet structure allows multiple sheets stacked together for thick electrodes with almost linearly increased areal capacitance while maintaining the volumetric capacitance nearly no degradation, a critical merit for developing practical faraday-scale UECs. 3-layers of EOG/CCP electrode achieved an areal capacitance of 1.5 mF cm-2 and 1.4 mF cm-2 at 120 Hz and 1 kHz, respectively. This demonstration moves a step closer to the goal of bridging the frequency/capacitance gap between supercapacitors and electrolytic capacitors.

  20. Identification of pristine and defective graphene nanoribbons by phonon signatures in the electron transport characteristics

    NASA Astrophysics Data System (ADS)

    Christensen, Rasmus B.; Frederiksen, Thomas; Brandbyge, Mads

    2015-02-01

    Inspired by recent experiments where electron transport was measured across graphene nanoribbons (GNRs) suspended between a metal surface and the tip of a scanning tunneling microscope [Koch et al., Nat. Nanotechnol. 7, 713 (2012), 10.1038/nnano.2012.169], we present detailed first-principles simulations of inelastic electron tunneling spectroscopy (IETS) of long pristine and defective armchair and zigzag nanoribbons under a range of charge carrier conditions. For the armchair ribbons we find two robust IETS signals around 169 and 196 mV corresponding to the D and G modes of Raman spectroscopy as well as additional fingerprints due to various types of defects in the edge passivation. For the zigzag ribbons we show that the spin state strongly influences the spectrum and thus propose IETS as an indirect proof of spin polarization.

  1. The deflection of carbon composite carbon nanotube / graphene using molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Kolesnikova, A. S.; Kirillova, I. V.; Kossovich, L. U.

    2018-02-01

    For the first time, the dependence of the bending force on the transverse displacement of atoms in the center of the composite material consisting of graphene and parallel oriented zigzag nanotubes was studied. Mathematical modeling of the action of the needle of the atomic force microscope was carried out using the single-layer armchair carbon nanotube. Armchair nanotubes are convenient for using them as a needle of an atomic force microscope, because their edges are not sharpened (unlike zigzag tubes). Consequently, armchair nanotubes will cause minimal damage upon contact with the investigation object. The geometric parameters of the composite was revealed under the action of the bending force of 6μN.

  2. Step edge influence on barrier height and contact area in vertical heterojunctions between epitaxial graphene and n-type 4H-SiC

    SciTech Connect

    Tadjer, M. J., E-mail: marko.tadjer.ctr@nrl.navy.mil; Nyakiti, L. O.; Robinson, Z.

    2014-02-17

    Vertical rectifying contacts of epitaxial graphene grown by Si sublimation on the Si-face of 4H-SiC epilayers were investigated. Forward bias preferential conduction through the step edges was correlated by linear current density normalization. This phenomenon was observed on samples with 2.7–5.8 monolayers of epitaxial graphene as determined by X-ray photoelectron spectroscopy. A modified Richardson plot was implemented to extract the barrier height (0.81 eV at 290 K, 0.99 eV at 30 K) and the electrically dominant SiC step length of a Ti/Al contact overlapping a known region of approximately 0.52 μm wide SiC terraces.

  3. Plasmon Modes of Graphene Nanoribbons with Periodic Planar Arrangements

    NASA Astrophysics Data System (ADS)

    Vacacela Gomez, C.; Pisarra, M.; Gravina, M.; Pitarke, J. M.; Sindona, A.

    2016-09-01

    Among their amazing properties, graphene and related low-dimensional materials show quantized charge-density fluctuations—known as plasmons—when exposed to photons or electrons of suitable energies. Graphene nanoribbons offer an enhanced tunability of these resonant modes, due to their geometrically controllable band gaps. The formidable effort made over recent years in developing graphene-based technologies is however weakened by a lack of predictive modeling approaches that draw upon available ab initio methods. An example of such a framework is presented here, focusing on narrow-width graphene nanoribbons, organized in periodic planar arrays. Time-dependent density-functional calculations reveal unprecedented plasmon modes of different nature at visible to infrared energies. Specifically, semimetallic (zigzag) nanoribbons display an intraband plasmon following the energy-momentum dispersion of a two-dimensional electron gas. Semiconducting (armchair) nanoribbons are instead characterized by two distinct intraband and interband plasmons, whose fascinating interplay is extremely responsive to either injection of charge carriers or increase in electronic temperature. These oscillations share some common trends with recent nanoinfrared imaging of confined edge and surface plasmon modes detected in graphene nanoribbons of 100-500 nm width.

  4. Electronic structure and magnetic properties of zigzag blue phosphorene nanoribbons

    SciTech Connect

    Hu, Tao; Hong, Jisang, E-mail: hongj@pknu.ac.kr

    2015-08-07

    We investigated the electronic structure and magnetism of zigzag blue phosphorene nanoribbons (ZBPNRs) using first principles density functional theory calculations by changing the widths of ZBPNRs from 1.5 to 5 nm. In addition, the effect of H and O passivation was explored as well. The ZBPNRs displayed intra-edge antiferromagnetic ground state with a semiconducting band gap of ∼0.35 eV; and this was insensitive to the edge structure relaxation effect. However, the edge magnetism of ZBPNRs disappeared with H-passivation. Moreover, the band gap of H-passivated ZBPNRs was greatly enhanced because the calculated band gap was ∼1.77 eV, and this was almost the same asmore » that of two-dimensional blue phosphorene layer. For O-passivated ZBPNRs, we also found an intra-edge antiferromagnetic state. Besides, both unpassivated and O-passivated ZBPNRs preserved almost the same band gap. We predict that the electronic band structure and magnetic properties can be controlled by means of passivation. Moreover, the edge magnetism can be also modulated by the strain. Nonetheless, the intrinsic physical properties are size independent. This feature can be an advantage for device applications because it may not be necessary to precisely control the width of the nanoribbon.« less

  5. Symmetrical metallic and magnetic edge states of nanoribbon from semiconductive monolayer PtS2

    NASA Astrophysics Data System (ADS)

    Liu, Shan; Zhu, Heyu; Liu, Ziran; Zhou, Guanghui

    2018-03-01

    Transition metal dichalcogenides (TMD) MoS2 or graphene could be designed to metallic nanoribbons, which always have only one edge show metallic properties due to symmetric protection. In present work, a nanoribbon with two parallel metallic and magnetic edges was designed from a noble TMD PtS2 by employing first-principles calculations based on density functional theory (DFT). Edge energy, bonding charge density, band structure, density of states (DOS) and simulated scanning tunneling microscopy (STM) of four possible edge states of monolayer semiconductive PtS2 were systematically studied. Detailed calculations show that only Pt-terminated edge state among four edge states was relatively stable, metallic and magnetic. Those metallic and magnetic properties mainly contributed from 5d orbits of Pt atoms located at edges. What's more, two of those central symmetric edges coexist in one zigzag nanoribbon, which providing two atomic metallic wires thus may have promising application for the realization of quantum effects, such as Aharanov-Bohm effect and atomic power transmission lines in single nanoribbon.

  6. Core Level Shifts of Hydrogenated Pyridinic and Pyrrolic Nitrogen in the Nitrogen-Containing Graphene-Based Electrocatalysts: In-Plane vs Edge Defects

    SciTech Connect

    Matanovic, Ivana; Artyushkova, Kateryna; Strand, Matthew B.

    A combination of N 1s X-ray photoelectron spectroscopy (XPS) and first principles calculations of nitrogen-containing model electrocatalysts was used to elucidate the nature of the nitrogen defects that contribute to the binding energy (BE) range of the N 1s XPS spectra of these materials above ~400 eV. Experimental core level shifts were obtained for a set of model materials, namely N-doped carbon nanospheres, Fe–N–carbon nanospheres, polypyrrole, polypyridine, and pyridinium chloride, and were compared to the shifts calculated using density functional theory. The results confirm that the broad peak positioned at ~400.7 eV in the N 1s XPS spectra of N-containingmore » catalysts, which is typically assigned to pyrrolic nitrogen, contains contributions from other hydrogenated nitrogen species such as hydrogenated pyridinic functionalities. Namely, N 1s BEs of hydrogenated pyridinic-N and pyrrolic-N were calculated as 400.6 and 400.7 eV, respectively, using the Perdew–Burke–Ernzerhof exchange-correlation functional. A special emphasis was placed on the study of the differences in the XPS imprint of N-containing defects that are situated in the plane and on the edges of the graphene sheet. Density functional theory calculations for BEs of the N 1s of in-plane and edge defects show that hydrogenated N defects are more sensitive to the change in the chemical environment in the carbon matrix than the non-hydrogenated N defects. In conclusion, calculations also show that edge-hydrogenated pyridinic-N and pyrrolic-N defects only contribute to the N 1s XPS peak located at ~400.7 eV if the graphene edges are oxygenated or terminated with bare carbon atoms.« less

  7. Core Level Shifts of Hydrogenated Pyridinic and Pyrrolic Nitrogen in the Nitrogen-Containing Graphene-Based Electrocatalysts: In-Plane vs Edge Defects

    DOE PAGES

    Matanovic, Ivana; Artyushkova, Kateryna; Strand, Matthew B.; ...

    2016-12-07

    A combination of N 1s X-ray photoelectron spectroscopy (XPS) and first principles calculations of nitrogen-containing model electrocatalysts was used to elucidate the nature of the nitrogen defects that contribute to the binding energy (BE) range of the N 1s XPS spectra of these materials above ~400 eV. Experimental core level shifts were obtained for a set of model materials, namely N-doped carbon nanospheres, Fe–N–carbon nanospheres, polypyrrole, polypyridine, and pyridinium chloride, and were compared to the shifts calculated using density functional theory. The results confirm that the broad peak positioned at ~400.7 eV in the N 1s XPS spectra of N-containingmore » catalysts, which is typically assigned to pyrrolic nitrogen, contains contributions from other hydrogenated nitrogen species such as hydrogenated pyridinic functionalities. Namely, N 1s BEs of hydrogenated pyridinic-N and pyrrolic-N were calculated as 400.6 and 400.7 eV, respectively, using the Perdew–Burke–Ernzerhof exchange-correlation functional. A special emphasis was placed on the study of the differences in the XPS imprint of N-containing defects that are situated in the plane and on the edges of the graphene sheet. Density functional theory calculations for BEs of the N 1s of in-plane and edge defects show that hydrogenated N defects are more sensitive to the change in the chemical environment in the carbon matrix than the non-hydrogenated N defects. In conclusion, calculations also show that edge-hydrogenated pyridinic-N and pyrrolic-N defects only contribute to the N 1s XPS peak located at ~400.7 eV if the graphene edges are oxygenated or terminated with bare carbon atoms.« less

  8. Postbuckling analysis of multi-layered graphene sheets under non-uniform biaxial compression

    NASA Astrophysics Data System (ADS)

    Farajpour, Ali; Arab Solghar, Alireza; Shahidi, Alireza

    2013-01-01

    In this article, the nonlinear buckling characteristics of multi-layered graphene sheets are investigated. The graphene sheet is modeled as an orthotropic nanoplate with size-dependent material properties. The graphene film is subjected by non-uniformly distributed in-plane load through its thickness. To include the small scale and the geometrical nonlinearity effects, the governing differential equations are derived based on the nonlocal elasticity theory in conjunction with the von Karman geometrical model. Explicit expressions for the postbuckling loads of single- and double-layered graphene sheets with simply supported edges under biaxial compression are obtained. For numerical results, six types of armchair and zigzag graphene sheets with different aspect ratio are considered. The present formulation and method of solution are validated by comparing the results, in the limit cases, with those available in the open literature. Excellent agreement between the obtained and available results is observed. Finally, the effects of nonlocal parameter, buckling mode number, compression ratio and non-uniform parameter on the postbuckling behavior of multi-layered graphene sheets are studied.

  9. Atomic Scale Study on Growth and Heteroepitaxy of ZnO Monolayer on Graphene.

    PubMed

    Hong, Hyo-Ki; Jo, Junhyeon; Hwang, Daeyeon; Lee, Jongyeong; Kim, Na Yeon; Son, Seungwoo; Kim, Jung Hwa; Jin, Mi-Jin; Jun, Young Chul; Erni, Rolf; Kwak, Sang Kyu; Yoo, Jung-Woo; Lee, Zonghoon

    2017-01-11

    Atomically thin semiconducting oxide on graphene carries a unique combination of wide band gap, high charge carrier mobility, and optical transparency, which can be widely applied for optoelectronics. However, study on the epitaxial formation and properties of oxide monolayer on graphene remains unexplored due to hydrophobic graphene surface and limits of conventional bulk deposition technique. Here, we report atomic scale study of heteroepitaxial growth and relationship of a single-atom-thick ZnO layer on graphene using atomic layer deposition. We demonstrate atom-by-atom growth of zinc and oxygen at the preferential zigzag edge of a ZnO monolayer on graphene through in situ observation. We experimentally determine that the thinnest ZnO monolayer has a wide band gap (up to 4.0 eV), due to quantum confinement and graphene-like structure, and high optical transparency. This study can lead to a new class of atomically thin two-dimensional heterostructures of semiconducting oxides formed by highly controlled epitaxial growth.

  10. Unusual surface and edge morphologies, sp2 to sp3 hybridized transformation and electronic damage after Ar+ ion irradiation of few-layer graphene surfaces.

    PubMed

    Al-Harthi, Salim Hamood; Elzain, Mohammed; Al-Barwani, Muataz; Kora'a, Amal; Hysen, Thomas; Myint, Myo Tay Zar; Anantharaman, Maliemadom Ramaswamy

    2012-08-19

    Roughness and defects induced on few-layer graphene (FLG) irradiated by Ar+ ions at different energies were investigated using X-ray photoemission spectroscopy (XPS) and atomic force microscopy techniques. The results provide direct experimental evidence of ripple formation, sp2 to sp3 hybridized carbon transformation, electronic damage, Ar+ implantation, unusual defects and edge reconstructions in FLG, which depend on the irradiation energy. In addition, shadowing effects similar to those found in oblique-angle growth of thin films were seen. Reliable quantification of the transition from the sp2-bonding to sp3-hybridized state as a result of Ar+ ion irradiation is achieved from the deconvolution of the XPS C (1s) peak. Although the ion irradiation effect is demonstrated through the shape of the derivative of the Auger transition C KVV spectra, we show that the D parameter values obtained from these spectra which are normally used in the literature fail to account for the sp2 to sp3 hybridization transition. In contrast to what is known, it is revealed that using ion irradiation at large FLG sample tilt angles can lead to edge reconstructions. Furthermore, FLG irradiation by low energy of 0.25 keV can be a plausible way of peeling graphene layers without the need of Joule heating reported previously.

  11. Negative differential resistance and magnetoresistance in zigzag borophene nanoribbons

    NASA Astrophysics Data System (ADS)

    Liu, Jiayi; Wu, Jiaxin; Chen, Changpeng; Han, Lu; Zhu, Ziqing; Wu, Jinping

    2018-02-01

    Since borophene has been grown experimentally, its extraordinary characteristics have attracted more and more attentions. In this paper, we construct pristine zigzag-edged borophene nanoribbons (ZBNRs) of different widths to study the transport properties, using the first-principles calculations. The differences of the quantum transport properties are discussed, where even-N ZBNRs and odd-N ZBNRs have different current-voltage relationships. Especially, the negative differential resistance (NDR) can be observed within certain bias range in 5-ZBNR and 7-ZBNR, while 6-ZBNR behaves like a metal whose current rises with the increase of the voltage. Moreover, borophene nanoribbon shows interesting magnetic transport properties. The spin-filtering effect can be revealed when the two electrodes have opposite magnetization directions. Besides, the magnetoresistance effect appears to exist in even-N ZBNRs and the maximum value can reach 70%. The mechanisms of these phenomena are proposed in detail.

  12. The effects of Rashba spin-orbit coupling on spin-polarized transport in hexagonal graphene nano-rings and flakes

    NASA Astrophysics Data System (ADS)

    Laghaei, M.; Heidari Semiromi, E.

    2018-03-01

    Quantum transport properties and spin polarization in hexagonal graphene nanostructures with zigzag edges and different sizes were investigated in the presence of Rashba spin-orbit interaction (RSOI). The nanostructure was considered as a channel to which two semi-infinite armchair graphene nanoribbons were coupled as input and output leads. Spin transmission and spin polarization in x, y, and z directions were calculated through applying Landauer-Buttiker formalism with tight binding model and the Green's function to the system. In these quantum structures it is shown that changing the size of system, induce and control the spin polarized currents. In short, these graphene systems are typical candidates for electrical spintronic devices as spin filtering.

  13. Symmetry and optical selection rules in graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Pohle, Rico; Kavousanaki, Eleftheria G.; Dani, Keshav M.; Shannon, Nic

    2018-03-01

    Graphene quantum dots (GQD's) have optical properties which are very different from those of an extended graphene sheet. In this paper, we explore how the size, shape, and edge structure of a GQD affect its optical conductivity. Using representation theory, we derive optical selection rules for regular-shaped dots, starting from the symmetry properties of the current operator. We find that, where the x and y components of the current operator transform with the same irreducible representation (irrep) of the point group (for example in triangular or hexagonal GQD's), the optical conductivity is independent of the polarization of the light. On the other hand, where these components transform with different irreps (for example in rectangular GQD's), the optical conductivity depends on the polarization of light. We carry out explicit calculations of the optical conductivity of GQD's described by a simple tight-binding model and, for dots of intermediate size, find an absorption peak in the low-frequency range of the spectrum which allows us to distinguish between dots with zigzag and armchair edges. We also clarify the one-dimensional nature of states at the Van Hove singularity in graphene, providing a possible explanation for very high exciton-binding energies. Finally, we discuss the role of atomic vacancies and shape asymmetry.

  14. Electroosmotic flow mixing in zigzag microchannels.

    PubMed

    Chen, Jia-Kun; Yang, Ruey-Jen

    2007-03-01

    In this study we performed numerical and experimental investigations into the mixing of EOFs in zigzag microchannels with two different corner geometries, namely sharp corners and flat corners. In the zigzag microchannel with sharp corners, the flow travels more rapidly near the inner wall of the corner than near the outer wall as a result of the higher electric potential drop. The resulting velocity gradient induces a racetrack effect, which enhances diffusion within the fluid and hence improves the mixing performance. The simulation results reveal that the mixing index is approximately 88.83%. However, the sharp-corner geometry causes residual liquid or bubbles to become trapped in the channel at the point where the flow is almost stationary, when the channel is in the process of cleaning. Accordingly, a zigzag microchannel with flat-corner geometry is developed. The flat-corner geometry forms a convergent-divergent type nozzle which not only enhances the mixing performance in the channel, but also prevents the accumulation of residual liquid or bubbles. Scaling analysis reveals that this corner geometry leads to an effective increase in the mixing length. The experimental results reveal that the mixing index is increased to 94.30% in the flat-corner zigzag channel. Hence, the results demonstrate that the mixing index of the flat-corner zigzag channel is better than that of the conventional sharp-corner microchannel. Finally, the results of Taguchi analysis indicate that the attainable mixing index is determined primarily by the number of corners in the microchannel and by the flow passing height at each corner.

  15. Decay and the double-decay properties of edge bands of phosphorene ribbons

    NASA Astrophysics Data System (ADS)

    Yang, M.; Duan, H.-J.; Wang, R.-Q.

    2015-11-01

    Phosphorene (a monolayer of black phosphorus) recently spurred much attention due to its potential for application. We notice there are two types of zigzag edge and two types of armchair edge for phosphorene lattice. We study the winding number of various types of edge of phosphorene ribbons and conclude that, besides on the typical zigzag edge, the flat zero-energy edge band can be found in the ribbon of another nontypical armchair edge. The localization of these edge bands is investigated analytically. We find every single edge state of the atypical armchair edge decays to the bulk at two different decay rates.

  16. Defining the origins of electron transfer at screen-printed graphene-like and graphite electrodes: MoO2 nanowire fabrication on edge plane sites reveals electrochemical insights.

    PubMed

    Rowley-Neale, Samuel J; Brownson, Dale A C; Banks, Craig E

    2016-08-18

    Molybdenum (di)oxide (MoO2) nanowires are fabricated onto graphene-like and graphite screen-printed electrodes (SPEs) for the first time, revealing crucial insights into the electrochemical properties of carbon/graphitic based materials. Distinctive patterns observed in the electrochemical process of nanowire decoration show that electron transfer occurs predominantly on edge plane sites when utilising SPEs fabricated/comprised of graphitic materials. Nanowire fabrication along the edge plane sites (and on edge plane like-sites/defects) of graphene/graphite is confirmed with Cyclic Voltammetry, Scanning Electron Microscopy (SEM) and Raman Spectroscopy. Comparison of the heterogeneous electron transfer (HET) rate constants (k°) at unmodified and nanowire coated SPEs show a reduction in the electrochemical reactivity of SPEs when the edge plane sites are effectively blocked/coated with MoO2. Throughout the process, the basal plane sites of the graphene/graphite electrodes remain relatively uncovered; except when the available edge plane sites have been utilised, in which case MoO2 deposition grows from the edge sites covering the entire surface of the electrode. This work clearly illustrates the distinct electron transfer properties of edge and basal plane sites on graphitic materials, indicating favourable electrochemical reactivity at the edge planes in contrast to limited reactivity at the basal plane sites. In addition to providing fundamental insights into the electron transfer properties of graphite and graphene-like SPEs, the reported simple, scalable, and cost effective formation of unique and intriguing MoO2 nanowires realised herein is of significant interest for use in both academic and commercial applications.

  17. Controllable spin-charge transport in strained graphene nanoribbon devices

    SciTech Connect

    Diniz, Ginetom S., E-mail: ginetom@gmail.com; Guassi, Marcos R.; Qu, Fanyao

    2014-09-21

    We theoretically investigate the spin-charge transport in two-terminal device of graphene nanoribbons in the presence of a uniform uniaxial strain, spin-orbit coupling, exchange field, and smooth staggered potential. We show that the direction of applied strain can efficiently tune strain-strength induced oscillation of band-gap of armchair graphene nanoribbon (AGNR). It is also found that electronic conductance in both AGNR and zigzag graphene nanoribbon (ZGNR) oscillates with Rashba spin-orbit coupling akin to the Datta-Das field effect transistor. Two distinct strain response regimes of electronic conductance as function of spin-orbit couplings magnitude are found. In the regime of small strain, conductance ofmore » ZGNR presents stronger strain dependence along the longitudinal direction of strain. Whereas for high values of strain shows larger effect for the transversal direction. Furthermore, the local density of states shows that depending on the smoothness of the staggered potential, the edge states of AGNR can either emerge or be suppressed. These emerging states can be determined experimentally by either spatially scanning tunneling microscope or by scanning tunneling spectroscopy. Our findings open up new paradigms of manipulation and control of strained graphene based nanostructure for application on novel topological quantum devices.« less

  18. Plasmons driven by single electrons in graphene nanoislands

    NASA Astrophysics Data System (ADS)

    Manjavacas, Alejandro; Thongrattanasiri, Sukosin; de Abajo, F. Javier García

    2013-04-01

    Plasmons produce large confinement and enhancement of light that enable applications as varied as cancer therapy and catalysis. Adding to these appealing properties, graphene has emerged as a robust, electrically tunable material exhibiting plasmons that strongly depend on the density of doping charges. Here we show that adding a single electron to a graphene nanoisland consisting of hundreds or thousands of atoms switches on infrared plasmons that were previously absent from the uncharged structure. Remarkably, the addition of each further electron produces a dramatic frequency shift. Plasmons in these islands are shown to be tunable down to near infrared wavelengths. These phenomena are highly sensitive to carbon edges. Specifically, armchair nanotriangles display sharp plasmons that are associated with intense near-field enhancement, as well as absorption cross-sections exceeding the geometrical area occupied by the graphene. In contrast, zigzag triangles do not support these plasmons. Our conclusions rely on realistic quantum-mechanical calculations, which are in ostensible disagreement with classical electromagnetic simulations, thus revealing the quantum nature of the plasmons. This study shows a high sensitivity of graphene nanoislands to elementary charges, therefore emphasizing their great potential for novel nano-optoelectronics applications.

  19. Inner edge magnetisms in carbon honeycombs

    NASA Astrophysics Data System (ADS)

    Liu, Xiaofei; Guo, Wanlin

    2018-04-01

    We show by comprehensive ab initio calculations that sp2 carbon honeycombs recently synthesised by Krainyukova et al. [Phys. Rev. Lett. 116, 055501 (2016)] exhibit antiferromagnetism, not only at the inner edge of the zigzag ribbon component but also at the chain of sp2 carbon that joins three zigzag ribbons. The π antiferromagnetism at the joint chain has spin orientations that alternatively change along the axis and stems from a super-exchange mechanism. Along with the spin-polarization, the joint chain conduction channel opens an energy gap. The spin-polarization of the zigzag edge due to the magnetic instability of the localized edge states is less stable in energy. Through hole doping, the zigzag edge antiferromagnetism is enhanced and stabilized as the magnetic ground state, along with the re-opening of the joint chain conduction channel. When the carbon honeycombs are reconstructed into sp3-sp2 hybrid honeycombs, the π states of the joint are diminished, but the zigzag edge magnetism is preserved. Our results propose carbon honeycombs as novel magnetic carbon with competing polarization configurations.

  20. Spatially Resolved One-Dimensional Boundary States in Graphene-Hexagonal Boron Nitride Planar Heterostructures

    DOE PAGES

    Li, An-Ping; Park, Jewook; Lee, Jaekwang; ...

    2014-01-01

    Two-dimensional (2D) interfaces between crystalline materials have been shown to generate unusual interfacial electronic states in complex oxides1-4. Recently, a onedimensional (1D) polar-on-nonpolar interface has been realized in hexagonal boron nitride (hBN) and graphene heterostructures 5-10, where a coherent 1D boundary is expected to possess peculiar electronic states dictated by edge states of graphene and the polarity of hBN 11-13. Here we present a combined scanning tunneling microscopy (STM) and firstprinciples theory study of the graphene-hBN boundary to provide a rare glimpse into the spatial and energetic distributions of the 1D boundary states in real-space. The interfaces studied here aremore » crystallographically coherent with sharp transitions from graphene zigzag edges to B (or N) terminated hBN atomic layers on a Cu foil substrate5. The revealed boundary states are about 0.6 eV below or above the Fermi energy depending on the termination of the hBN at the boundary, and are extended along but localized at the boundary with a lateral thickness of 2-3nm. These results suggest that unconventional physical effects similar to those observed at 2D interfaces can also exist in lower dimensions, opening a route for tuning of electronic properties at interfaces in 2D heterostructures.« less

  1. Energy gap in graphene nanoribbons with structured external electric potentials

    NASA Astrophysics Data System (ADS)

    Apel, W.; Pal, G.; Schweitzer, L.

    2011-03-01

    The electronic properties of graphene zigzag nanoribbons with electrostatic potentials along the edges are investigated. Using the Dirac-fermion approach, we calculate the energy spectrum of an infinitely long nanoribbon of finite width w, terminated by Dirichlet boundary conditions in the transverse direction. We show that a structured external potential that acts within the edge regions of the ribbon can induce a spectral gap and thus switch the nanoribbon from metallic to insulating behavior. The basic mechanism of this effect is the selective influence of the external potentials on the spinorial wave functions that are topological in nature and localized along the boundary of the graphene nanoribbon. Within this single-particle description, the maximal obtainable energy gap is Emax∝πℏvF/w, i.e., ≈0.12 eV for w=15 nm. The stability of the spectral gap against edge disorder and the effect of disorder on the two-terminal conductance is studied numerically within a tight-binding lattice model. We find that the energy gap persists as long as the applied external effective potential is larger than ≃0.55×W, where W is a measure of the disorder strength. We argue that there is a transport gap due to localization effects even in the absence of a spectral gap.

  2. One dimensional metallic edges in atomically thin WSe2 induced by air exposure

    NASA Astrophysics Data System (ADS)

    Addou, Rafik; Smyth, Christopher M.; Noh, Ji-Young; Lin, Yu-Chuan; Pan, Yi; Eichfeld, Sarah M.; Fölsch, Stefan; Robinson, Joshua A.; Cho, Kyeongjae; Feenstra, Randall M.; Wallace, Robert M.

    2018-04-01

    Transition metal dichalcogenides are a unique class of layered two-dimensional (2D) crystals with extensive promising applications. Tuning the electronic properties of low-dimensional materials is vital for engineering new functionalities. Surface oxidation is of particular interest because it is a relatively simple method of functionalization. By means of scanning probe microscopy and x-ray photoelectron spectroscopy, we report the observation of metallic edges in atomically thin WSe2 monolayers grown by chemical vapor deposition on epitaxial graphene. Scanning tunneling microscopy shows structural details of WSe2 edges and scanning tunneling spectroscopy reveals the metallic nature of the oxidized edges. Photoemission demonstrates that the formation of metallic sub-stoichiometric tungsten oxide (WO2.7) is responsible for the high conductivity measured along the edges. Ab initio calculations validate the susceptibility of WSe2 nanoribbon edges to oxidation. The zigzag terminated edge exhibits metallic behavior prior the air-exposure and remains metallic after oxidation. Comprehending and exploiting this property opens a new opportunity for application in advanced electronic devices.

  3. Peculiar Li-storage mechanism at graphene edges in turbostratic carbon black and their application in high energy Li-ion capacitor

    NASA Astrophysics Data System (ADS)

    Anothumakkool, Bihag; Dupré, Nicolas; Moreau, Philippe; Guyomard, Dominique; Brousse, Thierry; Gaubicher, Joel

    2018-02-01

    We report experimental evidence for the specific Li-storage at turbostratic graphene edges of a well-known and cheap Super P® carbon black (Csp) material, which is usually used as a conductive additive in composite electrodes. Indeed, operando XRD and HR-TEM consistently demonstrate Li insertion occurs with zero expansion of graphene layer up to a composition of Li0.4C6 (150 mA h/g) that is reached at 0.01 V vs. Li+/Li. 7Li NMR substantiates these results and suggests that the weak electronic transfer from the carbon host to the intercalant could help local reorganization of the layer order as suggested by the unexpected reversible changes of the (002) Bragg peak intensity during the charge-discharge process. Our observations also indicate this insertion mechanism is kinetically favored resulting in remarkable cycling stability over 1000 cycles and power capability allowing to sustain 110 mA h/g at 8 A/g (21 C) in half cell. The capability of Csp as an efficient anode is ultimately demonstrated in a lithium hybrid capacitor against a positive electrode of activated carbon. The full cell delivers a maximum energy of 120 Wh/kg (4.3-2 V) and remarkable capacity retention over 1800 cycles.

  4. Armchair and zigzag nanoribbons of gold and silver: A DFT study

    NASA Astrophysics Data System (ADS)

    Kapoor, Pooja; Sharma, Munish; Kumar, Ashok; Ahluwalia, P. K.

    2018-04-01

    This paper presents the results from a DFT-based computational study of structural and electronic properties of zigzag and armchair edge shaped nanoribbons of gold and silver in hexagonal phase. The cohesive energy of the considered nanoribbons are found to be more than the corresponding 2D counterpart, thereby, suggesting Au and Ag nanoribbons to be more stable in 1D as compared to 2D. All nanoribbons are found to be metallic with a modulation in quantum ballistic conductance with length and edge type of the nanoribbon. Au nanoribbons are found to have higher conductance than Ag nanoribbon. There is increase in conductance with increase in length of nanoribbon.

  5. Edge-selenated graphene nanoplatelets as durable metal-free catalysts for iodine reduction reaction in dye-sensitized solar cells

    PubMed Central

    Ju, Myung Jong; Jeon, In-Yup; Kim, Hong Mo; Choi, Ji Il; Jung, Sun-Min; Seo, Jeong-Min; Choi, In Taek; Kang, Sung Ho; Kim, Han Seul; Noh, Min Jong; Lee, Jae-Joon; Jeong, Hu Young; Kim, Hwan Kyu; Kim, Yong-Hoon; Baek, Jong-Beom

    2016-01-01

    Metal-free carbon-based electrocatalysts for dye-sensitized solar cells (DSSCs) are sufficiently active in Co(II)/Co(III) electrolytes but are not satisfactory in the most commonly used iodide/triiodide (I−/I3−) electrolytes. Thus, developing active and stable metal-free electrocatalysts in both electrolytes is one of the most important issues in DSSC research. We report the synthesis of edge-selenated graphene nanoplatelets (SeGnPs) prepared by a simple mechanochemical reaction between graphite and selenium (Se) powders, and their application to the counter electrode (CE) for DSSCs in both I−/I3− and Co(II)/Co(III) electrolytes. The edge-selective doping and the preservation of the pristine graphene basal plane in the SeGnPs were confirmed by various analytical techniques, including atomic-resolution transmission electron microscopy. Tested as the DSSC CE in both Co(bpy)32+/3+ (bpy = 2,2′-bipyridine) and I−/I3− electrolytes, the SeGnP-CEs exhibited outstanding electrocatalytic performance with ultimately high stability. The SeGnP-CE–based DSSCs displayed a higher photovoltaic performance than did the Pt-CE–based DSSCs in both SM315 sensitizer with Co(bpy)32+/3+ and N719 sensitizer with I−/I3− electrolytes. Furthermore, the I3− reduction mechanism, which has not been fully understood in carbon-based CE materials to date, was clarified by an electrochemical kinetics study combined with density functional theory and nonequilibrium Green’s function calculations. PMID:27386557

  6. Transforming graphene nanoribbons into nanotubes by use of point defects.

    PubMed

    Sgouros, A; Sigalas, M M; Papagelis, K; Kalosakas, G

    2014-03-26

    Using molecular dynamics simulations with semi-empirical potentials, we demonstrate a method to fabricate carbon nanotubes (CNTs) from graphene nanoribbons (GNRs), by periodically inserting appropriate structural defects into the GNR crystal structure. We have found that various defect types initiate the bending of GNRs and eventually lead to the formation of CNTs. All kinds of carbon nanotubes (armchair, zigzag, chiral) can be produced with this method. The structural characteristics of the resulting CNTs, and the dependence on the different type and distribution of the defects, were examined. The smallest (largest) CNT obtained had a diameter of ∼ 5 Å (∼ 39 Å). Proper manipulation of ribbon edges controls the chirality of the CNTs formed. Finally, the effect of randomly distributed defects on the ability of GNRs to transform into CNTs is considered.

  7. Electronic properties of graphene nanoribbons: A density functional investigation

    SciTech Connect

    Kumar, Sandeep, E-mail: skumar198712@gmail.com; Sharma, Hitesh, E-mail: dr.hitesh.phys@gmail.com

    2015-05-15

    Density functional theory calculations have been performed on graphene nano ribbons (GNRs) to investigate the electronic properties as a function of chirality, size and hydrogenation on the edges. The calculations were performed on GNRs with armchair and zigzag configurations with 28, 34, 36, 40, 50, 56, 62, 66 carbon atoms. The structural stability of AGNR and ZGNR increases with the size of nanoribbon where as hydrogenation of GNR tends to lowers their structural stability. All GNRs considered have shown semiconducting behavior with HOMO-LUMO gap decreasing with the increase in the GNR size. The hydrogenation of GNR decreases its HOMO-LUMO gapmore » significantly. The results are in agreement with the available experimental and theoretical results.« less

  8. Valley-isospin dependence of the quantum Hall effect in a graphene p-n junction

    NASA Astrophysics Data System (ADS)

    Tworzydło, J.; Snyman, I.; Akhmerov, A. R.; Beenakker, C. W. J.

    2007-07-01

    We calculate the conductance G of a bipolar junction in a graphene nanoribbon, in the high-magnetic-field regime where the Hall conductance in the p -doped and n -doped regions is 2e2/h . In the absence of intervalley scattering, the result G=(e2/h)(1-cosΦ) depends only on the angle Φ between the valley isospins ( =Bloch vectors representing the spinor of the valley polarization) at the two opposite edges. This plateau in the conductance versus Fermi energy is insensitive to electrostatic disorder, while it is destabilized by the dispersionless edge state which may exist at a zigzag boundary. A strain-induced vector potential shifts the conductance plateau up or down by rotating the valley isospin.

  9. Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes.

    PubMed

    Hu, Wei; Lin, Lin; Yang, Chao; Yang, Jinlong

    2014-12-07

    With the help of the recently developed SIESTA-pole (Spanish Initiative for Electronic Simulations with Thousands of Atoms) - PEXSI (pole expansion and selected inversion) method [L. Lin, A. García, G. Huhs, and C. Yang, J. Phys.: Condens. Matter 26, 305503 (2014)], we perform Kohn-Sham density functional theory calculations to study the stability and electronic structure of hydrogen passivated hexagonal graphene nanoflakes (GNFs) with up to 11,700 atoms. We find the electronic properties of GNFs, including their cohesive energy, edge formation energy, highest occupied molecular orbital-lowest unoccupied molecular orbital energy gap, edge states, and aromaticity, depend sensitively on the type of edges (armchair graphene nanoflakes (ACGNFs) and zigzag graphene nanoflakes (ZZGNFs)), size and the number of electrons. We observe that, due to the edge-induced strain effect in ACGNFs, large-scale ACGNFs' edge formation energy decreases as their size increases. This trend does not hold for ZZGNFs due to the presence of many edge states in ZZGNFs. We find that the energy gaps E(g) of GNFs all decay with respect to 1/L, where L is the size of the GNF, in a linear fashion. But as their size increases, ZZGNFs exhibit more localized edge states. We believe the presence of these states makes their gap decrease more rapidly. In particular, when L is larger than 6.40 nm, we find that ZZGNFs exhibit metallic characteristics. Furthermore, we find that the aromatic structures of GNFs appear to depend only on whether the system has 4N or 4N + 2 electrons, where N is an integer.

  10. Bandgaps and directional propagation of elastic waves in 2D square zigzag lattice structures

    NASA Astrophysics Data System (ADS)

    Wang, Yan-Feng; Wang, Yue-Sheng; Zhang, Chuanzeng

    2014-12-01

    In this paper we propose various types of two-dimensional (2D) square zigzag lattice structures, and we study their bandgaps and directional propagation of elastic waves. The band structures and the transmission spectra of the systems are calculated by using the finite element method. The effects of the geometry parameters of the 2D-zigzag lattices on the bandgaps are investigated and discussed. The mechanism of the bandgap generation is analyzed by studying the vibration modes at the bandgap edges. Multiple wide complete bandgaps are found in a wide porosity range owing to the separation of the degeneracy by introducing bending arms. The bandgaps are sensitive to the geometry parameters of the systems. The deformed displacement fields of the transient response of finite structures subjected to time-harmonic loads are presented to show the directional wave propagation. The research in this paper is relevant to the practical design of cellular structures with enhanced vibro-acoustics performance.

  11. Interplay of relativistic and nonrelativistic transport in atomically precise segmented graphene nanoribbons

    DOE PAGES

    Yannouleas, Constantine; Romanovsky, Igor; Landman, Uzi

    2015-01-20

    Graphene's isolation launched explorations of fundamental relativistic physics originating from the planar honeycomb lattice arrangement of the carbon atoms, and of potential technological applications in nanoscale electronics. Bottom-up fabricated atomically-precise segmented graphene nanoribbons, SGNRs, open avenues for studies of electrical transport, coherence, and interference effects in metallic, semiconducting, and mixed GNRs, with different edge terminations. Conceptual and practical understanding of electric transport through SGNRs is gained through nonequilibrium Green's function (NEGF) conductance calculations and a Dirac continuum model that absorbs the valence-to-conductance energy gaps as position-dependent masses, including topological-in-origin mass-barriers at the contacts between segments. The continuum model reproduces themore » NEGF results, including optical Dirac Fabry-Pérot (FP) equidistant oscillations for massless relativistic carriers in metallic armchair SGNRs, and an unequally-spaced FP pattern for mixed armchair-zigzag SGNRs where carriers transit from a relativistic (armchair) to a nonrelativistic (zigzag) regime. This provides a unifying framework for analysis of coherent transport phenomena and interpretation of forthcoming experiments in SGNRs.« less

  12. Nonlinear optical response in narrow graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Karimi, Farhad; Knezevic, Irena

    We present an iterative method to calculate the nonlinear optical response of armchair graphene nanoribbons (aGNRs) and zigzag graphene nanoribbons (zGNRs) while including the effects of dissipation. In contrast to methods that calculate the nonlinear response in the ballistic (dissipation-free) regime, here we obtain the nonlinear response of an electronic system to an external electromagnetic field while interacting with a dissipative environment (to second order). We use a self-consistent-field approach within a Markovian master-equation formalism (SCF-MMEF) coupled with full-wave electromagnetic equations, and we solve the master equation iteratively to obtain the higher-order response functions. We employ the SCF-MMEF to calculate the nonlinear conductance and susceptibility, as well as to calculate the dependence of the plasmon dispersion and plasmon propagation length on the intensity of the electromagnetic field in GNRs. The electron scattering mechanisms included in this work are scattering with intrinsic phonons, ionized impurities, surface optical phonons, and line-edge roughness. Unlike in wide GNRs, where ionized-impurity scattering dominates dissipation, in ultra-narrow nanoribbons on polar substrates optical-phonon scattering and ionized-impurity scattering are equally prominent. Support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-SC0008712.

  13. Modulation of electronic and magnetic properties in InSe nanoribbons: edge effect.

    PubMed

    Wu, Meng; Shi, Jun-Jie; Zhang, Min; Ding, Yi-Min; Wang, Hui; Cen, Yu-Lang; Guo, Wen-Hui; Pan, Shu-Hang; Zhu, Yao-Hui

    2018-05-18

    Quite recently, the two-dimensional (2D) InSe nanosheet has become a hot material with great promise for advanced functional nano-devices. In this work, for the first time, we perform first-principles calculations on the structural, electronic, magnetic and transport properties of 1D InSe nanoribbons with/without hydrogen or halogen saturation. We find that armchair ribbons, with various edges and distortions, are all nonmagnetic semiconductors, with a direct bandgap of 1.3 (1.4) eV for bare (H-saturated) ribbons, and have the same high electron mobility of about 10 3 cm 2 V -1 s -1 as the 2D InSe nanosheet. Zigzag InSe nanoribbons exhibit metallic behavior and diverse intrinsic ferromagnetic properties, with the magnetic moment of 0.5-0.7 μ B per unit cell, especially for their single-edge spin polarization. The edge spin orientation, mainly dominated by the unpaired electrons of the edge atoms, depends sensitively on the edge chirality. Hydrogen or halogen saturation can effectively recover the structural distortion, and modulate the electronic and magnetic properties. The binding energy calculations show that the stability of InSe nanoribbons is analogous to that of graphene and better than in 2D InSe nanosheets. These InSe nanoribbons, with novel electronic and magnetic properties, are thus very promising for use in electronic, spintronic and magnetoresistive nano-devices.

  14. Modulation of electronic and magnetic properties in InSe nanoribbons: edge effect

    NASA Astrophysics Data System (ADS)

    Wu, Meng; Shi, Jun-jie; Zhang, Min; Ding, Yi-min; Wang, Hui; Cen, Yu-lang; Guo, Wen-hui; Pan, Shu-hang; Zhu, Yao-hui

    2018-05-01

    Quite recently, the two-dimensional (2D) InSe nanosheet has become a hot material with great promise for advanced functional nano-devices. In this work, for the first time, we perform first-principles calculations on the structural, electronic, magnetic and transport properties of 1D InSe nanoribbons with/without hydrogen or halogen saturation. We find that armchair ribbons, with various edges and distortions, are all nonmagnetic semiconductors, with a direct bandgap of 1.3 (1.4) eV for bare (H-saturated) ribbons, and have the same high electron mobility of about 103 cm2V‑1s‑1 as the 2D InSe nanosheet. Zigzag InSe nanoribbons exhibit metallic behavior and diverse intrinsic ferromagnetic properties, with the magnetic moment of 0.5–0.7 μ B per unit cell, especially for their single-edge spin polarization. The edge spin orientation, mainly dominated by the unpaired electrons of the edge atoms, depends sensitively on the edge chirality. Hydrogen or halogen saturation can effectively recover the structural distortion, and modulate the electronic and magnetic properties. The binding energy calculations show that the stability of InSe nanoribbons is analogous to that of graphene and better than in 2D InSe nanosheets. These InSe nanoribbons, with novel electronic and magnetic properties, are thus very promising for use in electronic, spintronic and magnetoresistive nano-devices.

  15. Impact of tube curvature on the ground-state magnetism of axially confined single-walled carbon nanotubes of the zigzag-type.

    PubMed

    Wu, Jianhua; Hagelberg, Frank

    2013-06-03

    The magnetic properties of axially confined, hydrogenated single-walled carbon nanotubes (SWCNTs) of the (n,0)-type with n=5-24 are systematically explored by density functional theory. Emphasis is placed on the relation between the ground-state magnetic moments of SWCNTs and zigzag graphene nanoribbons (ZGNRs). Comparison between the SWCNTs considered here and ZGNRs of equal length gives rise to two basic questions: 1) how does the nanotube curvature affect the antiferromagnetic order known to prevail for ZGNRs, and 2) to what extent do the magnetic moments localized at the SWCNT edges deviate from the zero-curvature limit of n/3μB ? In response to these questions, it is found that systems with n≥7 display preference for antiferromagnetic order at any length investigated, whereas for n=5, 6 the magnetic phase varies with tube length. Furthermore, elementary patterns are identified that describe the progression of the magnitude of the magnetic moment with n for the longest tubes explored in this work. The spin densities of the considered SWCNTs are analyzed as a function of the tube length L, with L ranging from 3 to 11 transpolyene rings for n≥7 and from 3 to 30 rings for n=5 and 6. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Zigzag laser with reduced optical distortion

    DOEpatents

    Albrecht, G.F.; Comaskey, B.; Sutton, S.B.

    1994-04-19

    The architecture of the present invention has been driven by the need to solve the beam quality problems inherent in Brewster's angle tipped slab lasers. The entrance and exit faces of a solid state slab laser are cut perpendicular with respect to the pump face, thus intrinsically eliminating distortion caused by the unpumped Brewster's angled faces. For a given zigzag angle, the residual distortions inherent in the remaining unpumped or lightly pumped ends may be reduced further by tailoring the pump intensity at these ends. 11 figures.

  17. Zigzag laser with reduced optical distortion

    DOEpatents

    Albrecht, Georg F.; Comaskey, Brian; Sutton, Steven B.

    1994-01-01

    The architecture of the present invention has been driven by the need to solve the beam quality problems inherent in Brewster's angle tipped slab lasers. The entrance and exit faces of a solid state slab laser are cut perpendicular with respect to the pump face, thus intrinsically eliminating distortion caused by the unpumped Brewster's angled faces. For a given zigzag angle, the residual distortions inherent in the remaining unpumped or lightly pumped ends may be reduced further by tailoring the pump intensity at these ends.

  18. Physical origins of weak H 2 binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons

    DOE PAGES

    Ulman, Kanchan; Bhaumik, Debarati; Wood, Brandon C.; ...

    2014-05-05

    Here, we have performed ab initio density functional theory calculations, incorporating London dispersion corrections, to study the absorption of molecular hydrogen on zigzag graphene nanoribbons whose edges have been functionalized by OH, NH 2, COOH, NO 2, or H 2PO 3. We find that hydrogen molecules always preferentially bind at or near the functionalized edge, and display induced dipole moments. Binding is generally enhanced by the presence of polar functional groups. Furthermore, the largest gains are observed for groups with oxygen lone pairs that can facilitate local charge reorganization, with the biggest single enhancement in adsorption energy found for “strongmore » functionalization” by H 2PO 3 (115 meV/H 2 versus 52 meV/H 2 on bare graphene). We show that for binding on the “outer edge” near the functional group, the presence of the group can introduce appreciable contributions from Debye interactions and higher-order multipole electrostatic terms, in addition to the dominant London dispersion interactions. For those functional groups that contain the OH moiety, the adsorption energy is linearly proportional to the number of lone pairs on oxygen atoms. Mixed functionalization with two different functional groups on a graphene edge can also have a synergistic effect, particularly when electron-donating and electron-withdrawing groups are combined. For binding on the “inner edge” somewhat farther from the functional group, most of the binding again arises from London interactions; however, there is also significant charge redistribution in the π manifold, which directly reflects the electron donating or withdrawing capacity of the functional group. These results offer insight into the specific origins of weak binding of gas molecules on graphene, and suggest that edge functionalization could perhaps be used in combination with other strategies to increase the uptake of hydrogen in graphene. They also have relevance for the storage of hydrogen

  19. Ballistic thermoelectric properties of nitrogenated holey graphene nanostructures

    NASA Astrophysics Data System (ADS)

    Cao, Wei; Xiao, Huaping; Ouyang, Tao; Zhong, Jianxin

    2017-11-01

    In this study, we theoretically investigate the ballistic thermoelectric performance of a new two-dimensional material, nitrogenated holey graphene (NHG), using nonequilibrium Green's function method. The calculations show that compared to graphene, such novel single atomic layer structure exhibits better thermoelectric performance. At room temperature, the stable hole (electron) thermoelectric figure of merit ( Z T ) could approach 0.75 (0.2) and 0.6 (0.2) for zigzag-edged (Z-NHGNRs) and armchair-edged NHGNRs (A-NHGNRs), respectively. To achieve better thermoelectric performance, the effect of geometric engineering (chevron-type nanoribbons and rhomboid quantum dot) on the electronic and phononic transport properties of Z-NHGNRs is further discussed. The results indicate that structure modulation is indeed a viable approach to enhance the thermoelectric properties (the figure of merit could exceed 1.5 and 1.3 for the chevron-type and rhomboid quantum dot system, respectively). On analyzing the transport properties, such improvement on the figure of merit is mainly attributed to the increased Seebeck coefficient and reduced thermal conductance (including both electronic and phononic contributions). Our findings presented in this paper qualify NHG as a promising thermoelectric material and provide theoretical guidance for fabricating the outstanding thermoelectric devices.

  20. Temperature-triggered chemical switching growth of in-plane and vertically stacked graphene-boron nitride heterostructures

    PubMed Central

    Gao, Teng; Song, Xiuju; Du, Huiwen; Nie, Yufeng; Chen, Yubin; Ji, Qingqing; Sun, Jingyu; Yang, Yanlian; Zhang, Yanfeng; Liu, Zhongfan

    2015-01-01

    In-plane and vertically stacked heterostructures of graphene and hexagonal boron nitride (h-BN-G and G/h-BN, respectively) are both recent focuses of graphene research. However, targeted synthesis of either heterostructure remains a challenge. Here, via chemical vapour deposition and using benzoic acid precursor, we have achieved the selective growth of h-BN-G and G/h-BN through a temperature-triggered switching reaction. The perfect in-plane h-BN-G is characterized by scanning tunnelling microscopy (STM), showing atomically patched graphene and h-BN with typical zigzag edges. In contrast, the vertical alignment of G/h-BN is confirmed by unique lattice-mismatch-induced moiré patterns in high-resolution STM images, and two sets of aligned selected area electron diffraction spots, both suggesting a van der Waals epitaxial mechanism. The present work demonstrates the chemical designability of growth process for controlled synthesis of graphene and h-BN heterostructures. With practical scalability, high uniformity and quality, our approach will promote the development of graphene-based electronics and optoelectronics. PMID:25869236

  1. Ballistic transport in graphene Y-junctions in transverse electric field.

    PubMed

    Nemnes, G A; Mitran, T L; Dragoman, Daniela

    2018-06-05

    We investigate the prospects for current modulation in single layer graphene Y-junctions in the ballistic regime, under an external electric field. Overcoming the inability of inducing field effect in graphene nanoribbons by a stacked gate, the proposed in-plane electric field setup enables a controlled current transfer between the branches of the Y-junction. This behavior is further confirmed by changing the angular incidence of the electric field. The ballistic transmission functions are calculated for the three terminal system using the non-equilibrium Green's function formalism, in the framework of density functional theory, under finite bias conditions. The edge currents dominating the transport in zigzag nanoribbons are strongly influenced by the induced dipole charge, facilitating the current modulation even for the metallic-like character of the Y-junctions. Spin polarization effects indicate the possibility of achieving spin filtering even in the absence of the external field provided the antiferromagnetic couplings between the edges are asymptotically set. Overall, our results indicate a robust behavior regarding the tunability of the charge current in the two outlet ports, showing the possibility of inducing field effect control in a single layer graphene system.

  2. Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational study.

    PubMed

    Bilić, A; Sanvito, S

    2013-07-10

    Pyrene, the smallest two-dimensional mesh of aromatic rings, with various terminal thiol substitutions, has been considered as a potential molecular interconnect. Charge transport through two terminal devices has been modeled using density functional theory (with and without self interaction correction) and the non-equilibrium Green's function method. A tetra-substituted pyrene, with dual thiol terminal groups at opposite ends, has been identified as an excellent candidate, owing to its high conductance, virtually independent of bias voltage. The two possible extensions of its motif generate two series of graphene nanoribbons, with zigzag and armchair edges and with semimetallic and semiconducting electron band structure, respectively. The effects related to the wire length and the bias voltage on the charge transport have been investigated for both sets. The conductance of the nanoribbons with a zigzag edge does not show either length or voltage dependence, owing to an almost perfect electron transmission with a continuum of conducting channels. In contrast, for the armchair nanoribbons a slow exponential attenuation of the conductance with the length has been found, due to their semiconducting nature.

  3. Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors.

    PubMed

    Vatamanu, Jenel; Ni, Xiaojuan; Liu, Feng; Bedrov, Dmitry

    2015-11-20

    The semiconducting character of graphene and some carbon-based electrodes can lead to noticeably lower total capacitances and stored energy densities in electric double layer (EDL)capacitors. This paper discusses the chemical and electronic structure modifications that enhance the available energy bands, density of states and quantum capacitance of graphene substrates near the Fermi level, therefore restoring the conducting character of these materials. The doping of graphene with p or n dopants, such as boron and nitrogen atoms, or the introduction of vacancy defects that introduce zigzag edges, can significantly increase the quantum capacitance within the potential range of interest for the energy storage applications by either shifting the Dirac point away from the Fermi level or by eliminating the Dirac point. We show that a combination of doping and vacancies at realistic concentrations is sufficient to increase the capacitance of a graphene-based electrode to within 1 μF cm(−2) from that of a metallic surface.Using a combination of ab initio calculations and classical molecular dynamics simulations we estimate how the changes in the quantum capacitance of these electrode materials affect the total capacitance stored by the open structure EDL capacitors containing room temperature ionic liquid electrolytes.

  4. Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors

    NASA Astrophysics Data System (ADS)

    Vatamanu, Jenel; Ni, Xiaojuan; Liu, Feng; Bedrov, Dmitry

    2015-11-01

    The semiconducting character of graphene and some carbon-based electrodes can lead to noticeably lower total capacitances and stored energy densities in electric double layer (EDL) capacitors. This paper discusses the chemical and electronic structure modifications that enhance the available energy bands, density of states and quantum capacitance of graphene substrates near the Fermi level, therefore restoring the conducting character of these materials. The doping of graphene with p or n dopants, such as boron and nitrogen atoms, or the introduction of vacancy defects that introduce zigzag edges, can significantly increase the quantum capacitance within the potential range of interest for the energy storage applications by either shifting the Dirac point away from the Fermi level or by eliminating the Dirac point. We show that a combination of doping and vacancies at realistic concentrations is sufficient to increase the capacitance of a graphene-based electrode to within 1 μF cm-2 from that of a metallic surface. Using a combination of ab initio calculations and classical molecular dynamics simulations we estimate how the changes in the quantum capacitance of these electrode materials affect the total capacitance stored by the open structure EDL capacitors containing room temperature ionic liquid electrolytes.

  5. Tuning transport properties of graphene three-terminal structures by mechanical deformation

    NASA Astrophysics Data System (ADS)

    Torres, V.; Faria, D.; Latgé, A.

    2018-04-01

    Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been proposed to allow optimized transport responses that can be explored in experimental realizations. In multiterminal systems, comparisons between schemes with different geometries are important to characterize the modifications introduced by mechanical deformations, especially if the deformations are localized at a central part of the system or extended in a large region. Then, in the present analysis, we study the strain effects on the transport properties of triangular and hexagonal graphene flakes, with zigzag and armchair edges, connected to three electronic terminals, formed by semi-infinite graphene nanoribbons. Using the Green's function formalism with circular renormalization schemes, and a single band tight-binding approximation, we find that resonant tunneling transport becomes relevant and is more affected by localized deformations in the hexagonal graphene flakes. Moreover, triangular systems with deformation extended to the leads, like longitudinal three-folded type, are shown as an interesting scenario for building nanoscale waveguides for electronic current.

  6. Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2

    PubMed Central

    Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

    2016-01-01

    Abstract Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS2) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials. PMID:27877869

  7. Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2.

    PubMed

    Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

    2016-01-01

    Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS 2 ) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS 2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS 2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials.

  8. Oxygen vacancy effect on dielectric and hysteretic properties of zigzag ferroelectric iron dioxide nanoribbon

    NASA Astrophysics Data System (ADS)

    Zriouel, S.; Taychour, B.; Yahyaoui, F. El; Drissi, L. B.

    2017-07-01

    Zigzag FeO2 nanoribbon defected by the removal of oxygen atoms is simulated using Monte Carlo simulations. All possible arrangements of positions and number of oxygen vacancy are investigated. Temperature dependence of polarization, dielectric susceptibility, internal energy, specific heat and dielectric hysteresis loops are all studied. Results show the presence of second order phase transition and Q - type behavior. Dielectric properties dependence on ribbon's edge, positions and number of oxygen vacancy are discussed in detail. Moreover, single and square hysteresis loops are observed whatever the number of oxygen vacancy in the system.

  9. Densely Aligned Graphene Nanoribbon Arrays and Bandgap Engineering

    SciTech Connect

    Su, Justin; Chen, Changxin; Gong, Ming

    Graphene has attracted great interest for future electronics due to its high mobility and high thermal conductivity. However, a two-dimensional graphene sheet behaves like a metal, lacking a bandgap needed for the key devices components such as field effect transistors (FETs) in digital electronics. It has been shown that, partly due to quantum confinement, graphene nanoribbons (GNRs) with ~2 nm width can open up sufficient bandgaps and evolve into semiconductors to exhibit high on/off ratios useful for FETs. However, a challenging problem has been that, such ultra-narrow GNRs (~2 nm) are difficult to fabricate, especially for GNRs with smooth edgesmore » throughout the ribbon length. Despite high on/off ratios, these GNRs show very low mobility and low on-state conductance due to dominant scattering effects by imperfections and disorders at the edges. Wider GNRs (>5 nm) show higher mobility, higher conductance but smaller bandgaps and low on/off ratios undesirable for FET applications. It is highly desirable to open up bandgaps in graphene or increase the bandgaps in wide GNRs to afford graphene based semiconductors for high performance (high on-state current and high on/off ratio) electronics. Large scale ordering and dense packing of such GNRs in parallel are also needed for device integration but have also been challenging thus far. It has been shown theoretically that uniaxial strains can be applied to a GNR to engineer its bandgap. The underlying physics is that under uniaxial strain, the Dirac point moves due to stretched C-C bonds, leading to an increase in the bandgap of armchair GNRs by up to 50% of its original bandgap (i.e. bandgap at zero strain). For zigzag GNRs, due to the existence of the edge states, changes of bandgap are smaller under uniaxial strain and can be increased by ~30%. This work proposes a novel approach to the fabrication of densely aligned graphene nanoribbons with highly smooth edges afforded by anisotropic etching and uniaxial

  10. Spin density waves predicted in zigzag puckered phosphorene, arsenene and antimonene nanoribbons

    SciTech Connect

    Wu, Xiaohua; Zhang, Xiaoli; Wang, Xianlong

    2016-04-15

    The pursuit of controlled magnetism in semiconductors has been a persisting goal in condensed matter physics. Recently, Vene (phosphorene, arsenene and antimonene) has been predicted as a new class of 2D-semiconductor with suitable band gap and high carrier mobility. In this work, we investigate the edge magnetism in zigzag puckered Vene nanoribbons (ZVNRs) based on the density functional theory. The band structures of ZVNRs show half-filled bands crossing the Fermi level at the midpoint of reciprocal lattice vectors, indicating a strong Peierls instability. To remove this instability, we consider two different mechanisms, namely, spin density wave (SDW) caused by electron-electronmore » interaction and charge density wave (CDW) caused by electron-phonon coupling. We have found that an antiferromagnetic Mott-insulating state defined by SDW is the ground state of ZVNRs. In particular, SDW in ZVNRs displays several surprising characteristics:1) comparing with other nanoribbon systems, their magnetic moments are antiparallelly arranged at each zigzag edge and almost independent on the width of nanoribbons; 2) comparing with other SDW systems, its magnetic moments and band gap of SDW are unexpectedly large, indicating a higher SDW transition temperature in ZVNRs; 3) SDW can be effectively modified by strains and charge doping, which indicates that ZVNRs have bright prospects in nanoelectronic device.« less

  11. Unraveling metamaterial properties in zigzag-base folded sheets.

    PubMed

    Eidini, Maryam; Paulino, Glaucio H

    2015-09-01

    Creating complex spatial objects from a flat sheet of material using origami folding techniques has attracted attention in science and engineering. In the present work, we use the geometric properties of partially folded zigzag strips to better describe the kinematics of known zigzag/herringbone-base folded sheet metamaterials such as Miura-ori. Inspired by the kinematics of a one-degree of freedom zigzag strip, we introduce a class of cellular folded mechanical metamaterials comprising different scales of zigzag strips. This class of patterns combines origami folding techniques with kirigami. Using analytical and numerical models, we study the key mechanical properties of the folded materials. We show that our class of patterns, by expanding on the design space of Miura-ori, is appropriate for a wide range of applications from mechanical metamaterials to deployable structures at small and large scales. We further show that, depending on the geometry, these materials exhibit either negative or positive in-plane Poisson's ratios. By introducing a class of zigzag-base materials in the current study, we unify the concept of in-plane Poisson's ratio for similar materials in the literature and extend it to the class of zigzag-base folded sheet materials.

  12. The Effects of Graphene Stacking on the Performance of Methane Sensor: A First-Principles Study on the Adsorption, Band Gap and Doping of Graphene.

    PubMed

    Yang, Ning; Yang, Daoguo; Zhang, Guoqi; Chen, Liangbiao; Liu, Dongjing; Cai, Miao; Fan, Xuejun

    2018-02-01

    The effects of graphene stacking are investigated by comparing the results of methane adsorption energy, electronic performance, and the doping feasibility of five dopants (i.e., B, N, Al, Si, and P) via first-principles theory. Both zigzag and armchair graphenes are considered. It is found that the zigzag graphene with Bernal stacking has the largest adsorption energy on methane, while the armchair graphene with Order stacking is opposite. In addition, both the Order and Bernal stacked graphenes possess a positive linear relationship between adsorption energy and layer number. Furthermore, they always have larger adsorption energy in zigzag graphene. For electronic properties, the results show that the stacking effects on band gap are significant, but it does not cause big changes to band structure and density of states. In the comparison of distance, the average interlamellar spacing of the Order stacked graphene is the largest. Moreover, the adsorption effect is the result of the interactions between graphene and methane combined with the change of graphene's structure. Lastly, the armchair graphene with Order stacking possesses the lowest formation energy in these five dopants. It could be the best choice for doping to improve the methane adsorption.

  13. Spin-polarized electron transport in hybrid graphene-BN nanoribbons

    NASA Astrophysics Data System (ADS)

    Gao, Song; Lu, Wei; Zheng, Guo-Hui; Jia, Yalei; Ke, San-Huang

    2017-05-01

    The experimental realization of hybrid graphene and h-BN provides a new way to modify the electronic and transport properties of graphene-based materials. In this work, we investigate the spin-polarized electron transport in hybrid graphene-BN zigzag nanoribbons by performing first-principles nonequilibrium Green’s function method calculations. A 100% spin-polarized electron transport in a large energy window around the Fermi level is found and this behavior is independent of the ribbon width as long as there contain 3 zigzag carbon chains. This behavior may be useful in making perfect spin filters.

  14. h-BN/graphene van der Waals vertical heterostructure: a fully spin-polarized photocurrent generator.

    PubMed

    Tao, Xixi; Zhang, Lei; Zheng, Xiaohong; Hao, Hua; Wang, Xianlong; Song, Lingling; Zeng, Zhi; Guo, Hong

    2017-12-21

    By constructing transport junctions using graphene-based van der Waals (vdW) heterostructures in which a zigzag-edged graphene nanoribbon (ZGNR) is sandwiched between two hexagonal boron-nitride sheets, we computationally demonstrate a new scheme for generating perfect spin-polarized quantum transport in ZGNRs by light irradiation. The mechanism lies in the lift of spin degeneracy of ZGNR induced by the stagger potential it receives from the BN sheets and the subsequent possibility of single spin excitation of electrons from the valence band to the conduction band by properly tuning the photon energy. This scheme is rather robust in that we always achieve desirable results irrespective of whether we decrease or increase the interlayer distance by applying compressive or tensile strain vertically to the sheets or shift the BN sheets in-plane relative to the graphene nanoribbons. More importantly, this scheme overcomes the long-standing difficulties in traditional ways of using solely electrical field or chemical modification for obtaining half-metallic transport in ZGNRs and thus paves a more feasible way for their application in spintronics.

  15. A first-principles study of electronic properties of H and F-terminated zigzag BNC nanoribbons

    SciTech Connect

    Alaal, Naresh; Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.; Department of Materials Engineering, Monash University, Clayton, Victoria -3800, Australia.

    2016-05-06

    Nanoribbons are quasi one-dimensional structures which have interesting electronic properties on the basis of their edge geometries, and width. We studied the electronic properties of hydrogen and fluorine-terminated zigzag BNC nanoribbons (BNCNRs) using a first-principles based density functional theory approach. We considered BNCNRs that were composed of an equal number of C-C and B-N dimers; one of the edges ends with an N atom and opposite edge ends with a C atom. These two edge atoms are passivated by H or F atoms. Our results suggest that hydrogen-terminated BNCNRs (H-BNCNRs) and flourine-terminated BNCNRs (F-BNCNRs) have different electronic properties. H-BNCNRs exhibitmore » intrinsic half-metallic behavior while F-BNCNRs are indirect band gap semiconductors. Chemical functionalization of BNCNRs with H and F atoms show that BNCNRs have a diverse range of electronic properties.« less

  16. Fabricating and Controlling Silicon Zigzag Nanowires by Diffusion-Controlled Metal-Assisted Chemical Etching Method.

    PubMed

    Chen, Yun; Zhang, Cheng; Li, Liyi; Tuan, Chia-Chi; Wu, Fan; Chen, Xin; Gao, Jian; Ding, Yong; Wong, Ching-Ping

    2017-07-12

    Silicon (Si) zigzag nanowires (NWs) have a great potential in many applications because of its high surface/volume ratio. However, fabricating Si zigzag NWs has been challenging. In this work, a diffusion-controlled metal-assisted chemical etching method is developed to fabricate Si zigzag NWs. By tailoring the composition of etchant to change its diffusivity, etching direction, and etching time, various zigzag NWs can be easily fabricated. In addition, it is also found that a critical length of NW (>1 μm) is needed to form zigzag nanowires. Also, the amplitude of zigzag increases as the location approaches the center of the substrate and the length of zigzag nanowire increases. It is also demonstrated that such zigzag NWs can help the silicon substrate for self-cleaning and antireflection. This method may provide a feasible and economical way to fabricate zigzag NWs and novel structures for broad applications.

  17. A magnetic phase-transition graphene transistor with tunable spin polarization

    NASA Astrophysics Data System (ADS)

    Vancsó, Péter; Hagymási, Imre; Tapasztó, Levente

    2017-06-01

    Graphene nanoribbons (GNRs) have been proposed as potential building blocks for field effect transistor (FET) devices due to their quantum confinement bandgap. Here, we propose a novel GNR device concept, enabling the control of both charge and spin signals, integrated within the simplest three-terminal device configuration. In a conventional FET device, a gate electrode is employed to tune the Fermi level of the system in and out of a static bandgap. By contrast, in the switching mechanism proposed here, the applied gate voltage can dynamically open and close an interaction gap, with only a minor shift of the Fermi level. Furthermore, the strong interplay of the band structure and edge spin configuration in zigzag ribbons enables such transistors to carry spin polarized current without employing an external magnetic field or ferromagnetic contacts. Using an experimentally validated theoretical model, we show that such transistors can switch at low voltages and high speed, and the spin polarization of the current can be tuned from 0% to 50% by using the same back gate electrode. Furthermore, such devices are expected to be robust against edge irregularities and can operate at room temperature. Controlling both charge and spin signal within the simplest FET device configuration could open up new routes in data processing with graphene based devices.

  18. Twin lead ballistic conductor based on nanoribbon edge transport

    NASA Astrophysics Data System (ADS)

    Konôpka, Martin; Dieška, Peter

    2018-03-01

    If a device like a graphene nanoribbon (GNR) has all its four corners attached to electric current leads, the device becomes a quantum junction through which two electrical circuits can interact. We study such system theoretically for stationary currents. The 4-point energy-dependent conductance matrix of the nanostructure and the classical resistors in the circuits are parameters of the model. The two bias voltages in the circuits are the control variables of the studied system while the electrochemical potentials at the device's terminals are non-trivially dependent on the voltages. For the special case of the linear-response regime analytical formulae for the operation of the coupled quantum-classical device are derived and applied. For higher bias voltages numerical solutions are obtained. The effects of non-equilibrium Fermi levels are captured using a recursive algorithm in which self-consistency between the electrochemical potentials and the currents is reached within few iterations. The developed approach allows to study scenarios ranging from independent circuits to strongly coupled ones. For the chosen model of the GNR with highly conductive zigzag edges we determine the regime in which the single device carries two almost independent currents.

  19. The Effects of Graphene Stacking on the Performance of Methane Sensor: A First-Principles Study on the Adsorption, Band Gap and Doping of Graphene

    PubMed Central

    Yang, Daoguo; Zhang, Guoqi; Chen, Liangbiao; Liu, Dongjing; Cai, Miao; Fan, Xuejun

    2018-01-01

    The effects of graphene stacking are investigated by comparing the results of methane adsorption energy, electronic performance, and the doping feasibility of five dopants (i.e., B, N, Al, Si, and P) via first-principles theory. Both zigzag and armchair graphenes are considered. It is found that the zigzag graphene with Bernal stacking has the largest adsorption energy on methane, while the armchair graphene with Order stacking is opposite. In addition, both the Order and Bernal stacked graphenes possess a positive linear relationship between adsorption energy and layer number. Furthermore, they always have larger adsorption energy in zigzag graphene. For electronic properties, the results show that the stacking effects on band gap are significant, but it does not cause big changes to band structure and density of states. In the comparison of distance, the average interlamellar spacing of the Order stacked graphene is the largest. Moreover, the adsorption effect is the result of the interactions between graphene and methane combined with the change of graphene’s structure. Lastly, the armchair graphene with Order stacking possesses the lowest formation energy in these five dopants. It could be the best choice for doping to improve the methane adsorption. PMID:29389860

  20. Probing the Properties of the Molecular Adlayers on Metal Substrates: Scanning Tunneling Microscopy Study of Amine Adsorption on Gold(111) and Graphene Nanoislands on Cobalt(0001)

    NASA Astrophysics Data System (ADS)

    Zhou, Hui

    In this thesis, we present our findings on two major topics, both of which are studies of molecules on metal surfaces by scanning tunneling microscopy (STM). The first topic is on adsorption of a model amine compound, 1,4-benzenediamine (BDA), on the reconstructed Au(111) surface, chosen for its potential application as a molecular electronic device. The molecules were deposited in the gas phase onto the substrate in the vacuum chamber. Five different patterns of BDA molecules on the surface at different coverages, and the preferred adsorption sites of BDA molecules on reconstructed Au(111) surface, were observed. In addition, BDA molecules were susceptible to tip-induced movement, suggesting that BDA molecules on metal surfaces can be a potential candidate in STM molecular manipulations. We also studied graphene nanoislands on Co(0001) in the hope of understanding interaction of expitaxially grown graphene and metal substrates. This topic can shed a light on the potential application of graphene as an electronic device, especially in spintronics. The graphene nanoislands were formed by annealing contorted hexabenzocoronene (HBC) on the Co(0001) surface. In our experiments, we have determined atop registry of graphene atoms with respect to the underlying Co surface. We also investigated the low-energy electronic structures of graphene nanoislands by scanning tunneling spectroscopy. The result was compared with a first-principle calculation using density functional theory (DFT) which suggested strong coupling between graphene pi-bands and cobalt d-electrons. We also observed that the islands exhibit zigzag edges, which exhibits unique electronic structures compared with the center areas of the islands.

  1. Strain-Engineering of Graphene Based Topological Quantum Devices

    NASA Astrophysics Data System (ADS)

    Diniz, Ginetom S.; Guassi, Marcos R.; Qu, Fanyao

    2015-03-01

    We have investigated the spin-charge transport in quantum devices based on graphene nanoribbons (GNR). Our calculation is based on the surface Green's function technique, considering the presence of an uniform uniaxial strain, spin-orbit interactions (SOIs), exchange field and a smooth staggered potential. We propose the use of uniaxial strain as an efficient mechanism to tune the conductance profiles of GNR with different edge terminations. Our results show that distinct behaviors can be achieved: for armchair GNR there is a complete suppression of the conductance close to the Fermi level with the formation of a band gap that depends on the direction and strength of the strain deformation, while for zigzag GNR there is only a small conductance suppression. We also discuss the effects of SOIs and the appearance of spin-resolved conductance oscillations, and the local density of states of these GNR devices in the quantum anomalous Hall regime. Furthermore, we demonstrate that the local density of states show that depending on the smoothness of the staggered potential, the edge states of AGNR can either emerge or be suppressed. These emerging states can be probed by scanning tunneling microscope. Our findings can be potentially used in novel GNR based topological quantum devices. Supported by FAP-DF, CNPq and CAPES.

  2. Bandgaps and directional properties of two-dimensional square beam-like zigzag lattices

    NASA Astrophysics Data System (ADS)

    Wang, Yan-Feng; Wang, Yue-Sheng; Zhang, Chuanzeng

    2014-12-01

    In this paper we propose four kinds of two-dimensional square beam-like zigzag lattice structures and study their bandgaps and directional propagation of elastic waves. The band structures are calculated by using the finite element method. Both the in-plane and out-of-plane waves are investigated simultaneously via the three-dimensional Euler beam elements. The mechanism of the bandgap generation is analyzed by studying the vibration modes at the bandgap edges. The effects of the geometry parameters of the xy- and z-zigzag lattices on the bandgaps are investigated and discussed. Multiple complete bandgaps are found owing to the separation of the degeneracy by introducing bending arms. The bandgaps are sensitive to the geometry parameters of the periodic systems. The deformed displacement fields of the harmonic responses of a finite lattice structure subjected to harmonic loads at different positions are illustrated to show the directional wave propagation. An extension of the proposed concept to the hexagonal lattices is also presented. The research work in this paper is relevant to the practical design of cellular structures with enhanced vibro-acoustics performance.

  3. A Refined Zigzag Beam Theory for Composite and Sandwich Beams

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; Sciuva, Marco Di; Gherlone, Marco

    2009-01-01

    A new refined theory for laminated composite and sandwich beams that contains the kinematics of the Timoshenko Beam Theory as a proper baseline subset is presented. This variationally consistent theory is derived from the virtual work principle and employs a novel piecewise linear zigzag function that provides a more realistic representation of the deformation states of transverse-shear flexible beams than other similar theories. This new zigzag function is unique in that it vanishes at the top and bottom bounding surfaces of a beam. The formulation does not enforce continuity of the transverse shear stress across the beam s cross-section, yet is robust. Two major shortcomings that are inherent in the previous zigzag theories, shear-force inconsistency and difficulties in simulating clamped boundary conditions, and that have greatly limited the utility of these previous theories are discussed in detail. An approach that has successfully resolved these shortcomings is presented herein. Exact solutions for simply supported and cantilevered beams subjected to static loads are derived and the improved modelling capability of the new zigzag beam theory is demonstrated. In particular, extensive results for thick beams with highly heterogeneous material lay-ups are discussed and compared with corresponding results obtained from elasticity solutions, two other zigzag theories, and high-fidelity finite element analyses. Comparisons with the baseline Timoshenko Beam Theory are also presented. The comparisons clearly show the improved accuracy of the new, refined zigzag theory presented herein over similar existing theories. This new theory can be readily extended to plate and shell structures, and should be useful for obtaining relatively low-cost, accurate estimates of structural response needed to design an important class of high-performance aerospace structures.

  4. Graphene: Nanostructure engineering and applications

    NASA Astrophysics Data System (ADS)

    Zhang, Tingting; Wu, Shuang; Yang, Rong; Zhang, Guangyu

    2017-02-01

    Graphene has attracted extensive research interest in recent years because of its fascinating physical properties and its potential for various applications. The band structure or electronic properties of graphene are very sensitive to its geometry, size, and edge structures, especially when the size of graphene is below the quantum confinement limit. Graphene nanoribbons (GNRs) can be used as a model system to investigate such structure-sensitive parameters. In this review, we examine the fabrication of GNRs via both top-down and bottom-up approaches. The edge-related electronic and transport properties of GNRs are also discussed.

  5. Antisymmetric Spin-Orbit Coupling in a d-p Model on a Zigzag Chain

    DOE PAGES

    Sugita, Yusuke; Hayami, Satoru; Motome, Yukitoshi

    2015-12-29

    In this paper, we theoretically investigate how an antisymmetric spin-orbit coupling emerges in electrons moving on lattice structures which are centrosymmetric but break the spatial inversion symme- try at atomic positions. We construct an effective d-p model on the simplest lattice structure, a zigzag chain of edge-sharing octahedra, with taking into account the crystalline electric field, the spin-orbit coupling, and on-site and inter-site d-p hybridizations. We show that an effective antisymmetric spin-orbit coupling arises in the sublattice-dependent form, which results in a hidden spin polarization in the band structure. Finally, we explicitly derive the effective antisymmetric spin-orbit coupling for dmore » electrons, which not only explains the hidden spin polarization but also indicates how to enhance it.« less

  6. Antisymmetric Spin-Orbit Coupling in a d-p Model on a Zigzag Chain

    SciTech Connect

    Sugita, Yusuke; Hayami, Satoru; Motome, Yukitoshi

    In this paper, we theoretically investigate how an antisymmetric spin-orbit coupling emerges in electrons moving on lattice structures which are centrosymmetric but break the spatial inversion symme- try at atomic positions. We construct an effective d-p model on the simplest lattice structure, a zigzag chain of edge-sharing octahedra, with taking into account the crystalline electric field, the spin-orbit coupling, and on-site and inter-site d-p hybridizations. We show that an effective antisymmetric spin-orbit coupling arises in the sublattice-dependent form, which results in a hidden spin polarization in the band structure. Finally, we explicitly derive the effective antisymmetric spin-orbit coupling for dmore » electrons, which not only explains the hidden spin polarization but also indicates how to enhance it.« less

  7. Plasmons in N-doped graphene nanostructures tuned by Au/Ag films: a time-dependent density functional theory study.

    PubMed

    Shu, Xiaoqin; Cheng, Xinlu; Zhang, Hong

    2018-04-18

    The energy resonance point of the prominent peak of the absorption spectrum of nitrogen-doped graphene is in the ultraviolet region. This limits its application as a co-catalyst in renewable hydrogen evolution through photocatalytic water splitting in the visible light region. It is well known that noble metal films show active absorption in the visible region due to the existence of the unique feature known as surface plasmon resonance. Here we report tunable plasmons in nitrogen-doped graphene nanostructures using noble metal (Au/Ag) films. The energy resonance point of the prominent peak of the composite nanostructure is altered by changing the separation space of two-layered nanostructures. We found the strength of the absorption spectrum of the composite nanostructure is much stronger than the isolated N-doped graphene monolayer. When the separation space is decreased, the prominent peak of the absorption spectrum is red-shifted to the visible light region. Moreover, currents of several microamperes exist above the surface of the N-doped graphene and Au film composite nanostructure. In addition, the field enhancement exceeds 1000 when an impulse excitation polarized in the armchair-edge direction (X-axis) when the separation space is decreased to 3 Å and is close to 100 when an impulse excitation polarized in the zigzag-edge direction (Y-axis). The N-doped graphene and noble metal film composite nanostructure is a good candidate material as a co-catalyst in renewable hydrogen production by photocatalytic water splitting in the visible light region.

  8. Large-Scale Molecular Simulations on the Mechanical Response and Failure Behavior of a defective Graphene: Cases of 5-8-5 Defects

    NASA Astrophysics Data System (ADS)

    Wang, Shuaiwei; Yang, Baocheng; Yuan, Jinyun; Si, Yubing; Chen, Houyang

    2015-10-01

    Understanding the effect of defects on mechanical responses and failure behaviors of a graphene membrane is important for its applications. As examples, in this paper, a family of graphene with various 5-8-5 defects are designed and their mechanical responses are investigated by employing molecular dynamics simulations. The dependence of fracture strength and strain as well as Young’s moduli on the nearest neighbor distance and defect types is examined. By introducing the 5-8-5 defects into graphene, the fracture strength and strain become smaller. However, the Young’s moduli of DL (Linear arrangement of repeat unit 5-8-5 defect along zigzag-direction of graphene), DS (a Slope angle between repeat unit 5-8-5 defect and zigzag direction of graphene) and DZ (Zigzag-like 5-8-5 defects) defects in the zigzag direction become larger than those in the pristine graphene in the same direction. A maximum increase of 11.8% of Young’s modulus is obtained. Furthermore, the brittle cracking mechanism is proposed for the graphene with 5-8-5 defects. The present work may provide insights in controlling the mechanical properties by preparing defects in the graphene, and give a full picture for the applications of graphene with defects in flexible electronics and nanodevices.

  9. Theoretical study of nitrogen-doped graphene nanoflakes: Stability and spectroscopy depending on dopant types and flake sizes.

    PubMed

    Lin, Chih-Kai

    2018-03-05

    As nitrogen-doped graphene has been widely applied in optoelectronic devices and catalytic reactions, in this work we have investigated where the nitrogen atoms tend to reside in the material and how they affect the electron density and spectroscopic properties from a theoretical point of view. DFT calculations on N-doped hexagonal and rectangular graphene nanoflakes (GNFs) showed that nitrogen atoms locating on zigzag edges are obviously more stable than those on armchair edges or inside flakes, and interestingly, the N-hydrogenated pyridine moiety could be preferable to pure pyridine moiety in large models. The UV-vis absorption spectra of these nitrogen-doped GNFs display strong dependence on flake sizes, where the larger flakes have their major peaks in lower energy ranges. Moreover, the spectra exhibit different connections to various dopant types and positions: the graphitic-type dopant species present large variety in absorption profiles, while the pyridinic-type ones show extraordinary uniform stability and spectra independent of dopant positions/numbers and hence are hardly distinguishable from each other. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  10. Refined Zigzag Theory for Homogeneous, Laminated Composite, and Sandwich Plates: A Homogeneous Limit Methodology for Zigzag Function Selection

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; DiSciuva, Marco; Gherlone, marco

    2010-01-01

    The Refined Zigzag Theory (RZT) for homogeneous, laminated composite, and sandwich plates is presented from a multi-scale formalism starting with the inplane displacement field expressed as a superposition of coarse and fine contributions. The coarse kinematic field is that of first-order shear-deformation theory, whereas the fine kinematic field has a piecewise-linear zigzag distribution through the thickness. The condition of limiting homogeneity of transverse-shear properties is proposed and yields four distinct sets of zigzag functions. By examining elastostatic solutions for highly heterogeneous sandwich plates, the best-performing zigzag functions are identified. The RZT predictive capabilities to model homogeneous and highly heterogeneous sandwich plates are critically assessed, demonstrating its superior efficiency, accuracy ; and a wide range of applicability. The present theory, which is derived from the virtual work principle, is well-suited for developing computationally efficient CO-continuous finite elements, and is thus appropriate for the analysis and design of high-performance load-bearing aerospace structures.

  11. Shape and edge dependent electronic and magnetic properties of silicene nano-flakes

    SciTech Connect

    Mohan, Brij, E-mail: brijmohanhpu@yahoo.com; Pooja,; Ahluwalia, P. K.

    2015-06-24

    We performed first-principle study of the geometric, electronic and magnetic properties of arm-chair and zigzag edge silicene nano-flakes of triangular and hexagonal shapes. Electronic properties of silicene nano-flakes show strong dependence on their edge structure and shape. The considered nanostructures shows energy gap ranging ∼ 0.4 – 1.0 eV. Zigzag edged triangular nano-flake is magnetic and semiconducting in nature with 4.0 µ{sub B} magnetic moment and ∼ 0.4 eV energy gap.

  12. Zigzag nanoribbons of two-dimensional silicene-like crystals: magnetic, topological and thermoelectric properties.

    PubMed

    Wierzbicki, Michał; Barnaś, Józef; Swirkowicz, Renata

    2015-12-09

    The effects of electron-electron and spin-orbit interactions on the ground-state magnetic configuration and on the corresponding thermoelectric and spin thermoelectric properties in zigzag nanoribbons of two-dimensional hexagonal crystals are analysed theoretically. The thermoelectric properties of quasi-stable magnetic states are also considered. Of particular interest is the influence of Coulomb and spin-orbit interactions on the topological edge states and on the transition between the topological insulator and conventional gap insulator states. It is shown that the interplay of both interactions also has a significant impact on the transport and thermoelectric characteristics of the nanoribbons. The spin-orbit interaction also determines the in-plane magnetic easy axis. The thermoelectric properties of nanoribbons with in-plane magnetic moments are compared to those of nanoribbons with edge magnetic moments oriented perpendicularly to their plane. Nanoribbons with ferromagnetic alignment of the edge moments are shown to reveal spin thermoelectricity in addition to the conventional one.

  13. Spin-dependent Seebeck effects in a graphene nanoribbon coupled to two square lattice ferromagnetic leads

    SciTech Connect

    Zhou, Benhu, E-mail: zhoubenhu@163.com; Zeng, Yangsu; Zhou, Benliang

    We theoretically investigate spin-dependent Seebeck effects for a system consisting of a narrow graphene nanoribbon (GNR) contacted to square lattice ferromagnetic (FM) electrodes with noncollinear magnetic moments. Both zigzag-edge graphene nanoribbons (ZGNRs) and armchair-edge graphene nanoribbons (AGNRs) were considered. Compared with our previous work with two-dimensional honeycomb-lattice FM leads, a more realistic model of two-dimensional square-lattice FM electrodes is adopted here. Using the nonequilibrium Green's function method combining with the tight-binding Hamiltonian, it is demonstrated that both the charge Seebeck coefficient S{sub C} and the spin-dependent Seebeck coefficient S{sub S} strongly depend on the geometrical contact between the GNR andmore » the leads. In our previous work, S{sub C} for a semiconducting 15-AGNR system near the Dirac point is two orders of magnitude larger than that of a metallic 17-AGNR system. However, S{sub C} is the same order of magnitude for both metallic 17-AGNR and semiconducting 15-AGNR systems in the present paper because of the lack of a transmission energy gap for the 15-AGNR system. Furthermore, the spin-dependent Seebeck coefficient S{sub S} for the systems with 20-ZGNR, 17-AGNR, and 15-AGNR is of the same order of magnitude and its maximum absolute value can reach 8 μV/K. The spin-dependent Seebeck effects are not very pronounced because the transmission coefficient weakly depends on spin orientation. Moreover, the spin-dependent Seebeck coefficient is further suppressed with increasing angle between the relative alignments of magnetization directions of the two leads. Additionally, the spin-dependent Seebeck coefficient can be strongly suppressed for larger disorder strength. The results obtained here may provide valuable theoretical guidance in the experimental design of heat spintronic devices.« less

  14. Re-investigation on reduced graphene oxide/Ag2CO3 composite photocatalyst: An insight into the double-edged sword role of RGO

    NASA Astrophysics Data System (ADS)

    Wang, Wenguang; Liu, Yuan; Zhang, Haiyan; Qian, Yannan; Guo, Zuchen

    2017-02-01

    Coupling graphene or reduced graphene oxide (RGO) with semiconductor photocatalysts has previously been proven to be an effective way for enhancing the photocatalytic activity and stability of the photocatalysts. Herein, the Ag2CO3/reduced graphene oxide composite was successfully prepared by a facile chemical precipitation method. The physical and chemical properties of the photocatalysts were characterized by X-ray diffraction, Raman spectra, scanning electron microscope, X-ray photoelectron spectroscopy, UV-vis diffuse-reflection spectra. The photocatalytic activity and cycling stability of the photocatalysts were evaluated by photocatalytic degradation of rhodamine B under visible light irradiation. The results showed that the RGO indeed improves the photocatalytic activity of Ag2CO3/RGO, which can be attributed to the reduced charge recombination and enhanced dye adsorption as well as the light harvesting by RGO. Nevertheless, it played a negative role to the photocatalytic cycling stability due to the strong aggregation of Ag2CO3 particles brought by the RGO sheets. This work may provide a re-examination of the role of RGO in enhancing the photocatalytic performances of the photocatalysts.

  15. Edge functionalised & Li-intercalated 555-777 defective bilayer graphene for the adsorption of CO2 and H2O

    NASA Astrophysics Data System (ADS)

    Lalitha, Murugan; Lakshmipathi, Senthilkumar; Bhatia, Suresh K.

    2017-04-01

    The adsorption of CO2 and H2O on divacanacy (DV) defected graphene cluster, and its bilayer counterpart is investigated using first-principles calculations. Both single and bilayer DV graphene cluster, are functionalised with H and F atoms. On these sheets the gas molecules are physisorbed, and the divacancy defect effectively improves the adsorption of CO2, while fluorination enhances the hydrophobicity of the graphene cluster. Among the convex and concave curvature regions induced due to the DV defect, the adsorption of the gas molecules on the concave meniscus is more favourable. Fluorine termination induces 73% reduction in Henry law constants for H2O, while for the CO2 molecule it increases by 8%, which indicates the DV defective sheet is a better candidate for CO2 capture compared to the STW defective sheet. Besides, both AA and AB divacant defect bilayer sheets are equally stable, wherein AA stacking results in a cavity between the sheets, while in AB stacking, the layers slide one over the other. Nevertheless, both these bilayer sheets are comparatively stabler than the monolayer. However, intercalation of lithium decreases the interlayer separation, particularly in AA stacking, which enhances the CO2 adsorption, but in the Bernal stacking enhances it hydrophobicity.

  16. Spin-dependent Seebeck effects in a graphene superlattice p-n junction with different shapes

    NASA Astrophysics Data System (ADS)

    Zhou, Benhu; Zhou, Benliang; Yao, Yagang; Zhou, Guanghui; Hu, Ming

    2017-10-01

    We theoretically calculate the spin-dependent transmission probability and spin Seebeck coefficient for a zigzag-edge graphene nanoribbon p-n junction with periodically attached stubs under a perpendicular magnetic field and a ferromagnetic insulator. By using the nonequilibrium Green’s function method combining with the tight-binding Hamiltonian, it is demonstrated that the spin-dependent transmission probability and spin Seebeck coefficient for two types of superlattices can be modulated by the potential drop, the magnetization strength, the number of periods of the superlattice, the strength of the perpendicular magnetic field, and the Anderson disorder strength. Interestingly, a metal to semiconductor transition occurs as the number of the superlattice for a crossed superlattice p-n junction increases, and its spin Seebeck coefficient is much larger than that for the T-shaped one around the zero Fermi energy. Furthermore, the spin Seebeck coefficient for crossed systems can be much pronounced and their maximum absolute value can reach 528 μV K-1 by choosing optimized parameters. Besides, the spin Seebeck coefficient for crossed p-n junction is strongly enhanced around the zero Fermi energy for a weak magnetic field. Our results provide theoretical references for modulating the thermoelectric properties of a graphene superlattice p-n junction by tuning its geometric structure and physical parameters.

  17. A guide to the design of electronic properties of graphene nanoribbons.

    PubMed

    Yazyev, Oleg V

    2013-10-15

    Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can be tuned across broad ranges. Certain GNRs also exhibit a peculiar gapped magnetic phase for which the half-metallic state can be induced as well as the topologically nontrivial quantum spin Hall electronic phase. Because their electronic properties are highly tunable, GNRs have quickly become a popular subject of research toward the design of graphene-based nanostructures for technological applications. This Account presents a pedagogical overview of the various degrees of freedom in the atomic structure and interactions that researchers can use to tailor the electronic structure of these materials. The Account provides a broad picture of relevant physical concepts that would facilitate the rational design of GNRs with desired electronic properties through synthetic techniques. We start by discussing a generic model of zigzag GNR within the tight-binding model framework. We then explain how different modifications and extensions of the basic model affect the electronic band structures of GNRs. We classify the modifications based on the following categories: (1) electron-electron and spin-orbit interactions, (2) GNR configuration, which includes width and the crystallographic orientation of the nanoribbon (chirality), and (3) the local structure of the edge. We subdivide this last category into two groups: the effects of the termination of the π-electron system and the variations of electrostatic potential at the edge. This overview of the structure-property relationships provides a view of the many different electronic properties that GNRs can realize. The second part of this Account reviews three recent experimental methods for the synthesis of structurally well-defined GNRs. We describe a family of techniques that use

  18. Nematic liquid crystals on sinusoidal channels: the zigzag instability.

    PubMed

    Silvestre, Nuno M; Romero-Enrique, Jose M; Telo da Gama, Margarida M

    2017-01-11

    Substrates which are chemically or topographically patterned induce a variety of liquid crystal textures. The response of the liquid crystal to competing surface orientations, typical of patterned substrates, is determined by the anisotropy of the elastic constants and the interplay of the relevant lengths scales, such as the correlation length and the surface geometrical parameters. Transitions between different textures, usually with different symmetries, may occur under a wide range of conditions. We use the Landau-de Gennes free energy to investigate the texture of nematics in sinusoidal channels with parallel anchoring bounded by nematic-air interfaces that favour perpendicular (hometropic) anchoring. In micron size channels 5CB was observed to exhibit a non-trivial texture characterized by a disclination line, within the channel, which is broken into a zigzag pattern. Our calculations reveal that when the elastic anisotropy of the nematic does not favour twist distortions the defect is a straight disclination line that runs along the channel, which breaks into a zigzag pattern with a characteristic period, when the twist elastic constant becomes sufficiently small when compared to the splay and bend constants. The transition occurs through a twist instability that drives the defect line to rotate from its original position. The interplay between the energetically favourable twist distortions that induce the defect rotation and the liquid crystal anchoring at the surfaces leads to the zigzag pattern. We investigate in detail the dependence of the periodicity of the zigzag pattern on the geometrical parameters of the sinusoidal channels, which in line with the experimental results is found to be non-linear.

  19. Refined Zigzag Theory for Laminated Composite and Sandwich Plates

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; DiSciuva, Marco; Gherlone, Marco

    2009-01-01

    A refined zigzag theory is presented for laminated-composite and sandwich plates that includes the kinematics of first-order shear deformation theory as its baseline. The theory is variationally consistent and is derived from the virtual work principle. Novel piecewise-linear zigzag functions that provide a more realistic representation of the deformation states of transverse-shear-flexible plates than other similar theories are used. The formulation does not enforce full continuity of the transverse shear stresses across the plate s thickness, yet is robust. Transverse-shear correction factors are not required to yield accurate results. The theory is devoid of the shortcomings inherent in the previous zigzag theories including shear-force inconsistency and difficulties in simulating clamped boundary conditions, which have greatly limited the accuracy of these theories. This new theory requires only C(sup 0)-continuous kinematic approximations and is perfectly suited for developing computationally efficient finite elements. The theory should be useful for obtaining relatively efficient, accurate estimates of structural response needed to design high-performance load-bearing aerospace structures.

  20. Electrical controllable spin pump based on a zigzag silicene nanoribbon junction.

    PubMed

    Zhang, Lin; Tong, Peiqing

    2017-12-13

    We propose a possible electrical controllable spin pump based on a zigzag silicene nanoribbon ferromagnetic junction by applying two time-dependent perpendicular electric fields. By using the Keldysh Green's function method, we derive the analytic expression of the spin-resolved current at the adiabatic approximation and demonstrate that two asymmetric spin up and spin down currents can be pumped out in the device without an external bias. The pumped currents mainly come from the interplay between the photon-assisted spin pump effect and the electrically-modulated energy band structure of the tunneling junction. The spin valve phenomena are not only related to the energy gap opened by two perpendicular staggered potentials, but also dependent on the system parameters such as the pumping frequency, the pumping phase difference, the spin-orbit coupling and the Fermi level, which can be tuned by the electrical methods. The proposed device can also be used to produce a pure spin current and a 100% polarized spin current through the photon-assisted pumping process. Our investigations may provide an electrical manipulation of spin-polarized electrons in graphene-like pumping devices.

  1. Ultrathin planar graphene supercapacitors.

    PubMed

    Yoo, Jung Joon; Balakrishnan, Kaushik; Huang, Jingsong; Meunier, Vincent; Sumpter, Bobby G; Srivastava, Anchal; Conway, Michelle; Reddy, Arava Leela Mohana; Yu, Jin; Vajtai, Robert; Ajayan, Pulickel M

    2011-04-13

    With the advent of atomically thin and flat layers of conducting materials such as graphene, new designs for thin film energy storage devices with good performance have become possible. Here, we report an "in-plane" fabrication approach for ultrathin supercapacitors based on electrodes comprised of pristine graphene and multilayer reduced graphene oxide. The in-plane design is straightforward to implement and exploits efficiently the surface of each graphene layer for energy storage. The open architecture and the effect of graphene edges enable even the thinnest of devices, made from as grown 1-2 graphene layers, to reach specific capacities up to 80 μFcm(-2), while much higher (394 μFcm(-2)) specific capacities are observed multilayer reduced graphene oxide electrodes. The performances of devices with pristine as well as thicker graphene-based structures are examined using a combination of experiments and model calculations. The demonstrated all solid-state supercapacitors provide a prototype for a broad range of thin-film based energy storage devices.

  2. Electronic and magnetic properties of zigzag silicene nanoribbons with Stone–Wales defects

    SciTech Connect

    Dong, Haixia; Institute of Solid State Physics, Shanxi Datong University, Datong 037009; Fang, Dangqi

    2015-02-14

    The structural, electronic, and magnetic properties of zigzag silicene nanoribbons (ZSiNRs) with Stone–Wales (SW) defects were investigated using first-principles calculations. We found that two types of SW defects (named SW-Ι and SW-ΙΙ) exist in ZSiNRs. The SW defect was found to be the most stable at the edge of the ZSiNR, independently of the defect orientation, even more stable than it is in an infinite silicene sheet. In addition, the ZSiNRs can transition from semiconductor to metal or half-metal by modifying the SW defect location and concentration. For the same defect concentration, the band structures influenced by the SW-Ι defectmore » are more distinct than those influenced by the SW-ΙΙ when the SW defect is at the edge. The present study suggests the possibility of tuning the electronic properties of ZSiNRs using the SW defects and might motivate their potential application in nanoelectronics and spintronics.« less

  3. Ab initio study of boron nitride lines on graphene

    NASA Astrophysics Data System (ADS)

    Mata-Carrizal, Berenice; Sanginés-Mendoza, Raúl; Martinez, Edgar

    2013-03-01

    Graphene has unusual electronic properties which make it a promising material for electronic devices. Neverthless, the absence of a band gap sets limitations on its practical applications. Thus, it is crucial to find methods to create and tune the band gap of systems based on graphene. In this way, we explore the modulation of the electronic properties of graphene through doping with boron nitride lines. In particular, we studied the electronic structure of graphene sheets doped with boron nitride lines armchair and zigzag type. The calculations were performed using the pseudopotential LCAO method with a Generalized Gradient Approximation (GGA) for the exchange-correlation energy functional. We found that both doping lines type induce a bandgap and that the energy gap increases as the length of doping lines increases. Accordingly to our DFT calculations, we found that the energy gap on graphene doped with armchair and zigzag lines is due to a two different mechanisms to drain charge from pi- to sigma- orbitals. Thus, we found that doping graphene with boron nitride lines is a useful way to induce and modulate the bandgap on graphene. This research was supported by Consejo Nacional de Ciencia y Tecnología (Conacyt) under Grant No. 133022.

  4. Uniform and perfectly linear current-voltage characteristics of nitrogen-doped armchair graphene nanoribbons for nanowires.

    PubMed

    Liu, Lingling; Li, Xiao-Fei; Yan, Qing; Li, Qin-Kun; Zhang, Xiang-Hua; Deng, Mingsen; Qiu, Qi; Luo, Yi

    2016-12-21

    Metallic nanowires with desired properties for molecular integrated circuits (MICs) are especially significant in molectronics, but preparing such wires at a molecular level still remains challenging. Here, we propose, from first principles calculations, experimentally realizable edge-nitrogen-doped graphene nanoribbons (N-GNRs) as promising candidates for nanowires. Our results show that edge N-doping has distinct effects on the electronic structures and transport properties of the armchair GNRs and zigzag GNRs (AGNRs, ZGNRs), due to the formation of pyridazine and pyrazole rings at the edges. The pyridazine rings raise the Fermi level and introduce delocalized energy bands near the Fermi level, resulting in a highly enhanced conductance in N-AGNRs at the stable nonmagnetic ground state. Especially for the family of AGNRs with widths of n = 3p + 2, their semiconducting characteristics are transformed to metallic characteristics via N-doping, and they exhibit perfectly linear current-voltage (I-V) behaviors. Such uniform and excellent features indicate bright application prospects of the N-AGNRs as nanowires and electrodes in molectronics.

  5. Invalidity of the Fermi liquid theory and magnetic phase transition in quasi-1D dopant-induced armchair-edged graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Hoi, Bui Dinh; Davoudiniya, Masoumeh; Yarmohammadi, Mohsen

    2018-04-01

    Based on theoretically tight-binding calculations considering nearest neighbors and Green's function technique, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons with width ranging from 9.83 Å to 69.3 Å would be observed in the presence of injecting electrons by doping. This transition is explained by the temperature-dependent static charge susceptibility through calculation of the correlation function of charge density operators. This work showed that charge concentration of dopants in such system plays a crucial role in determining the magnetic phase. A variety of multicritical points such as transition temperatures and maximum susceptibility are compared in undoped and doped cases. Our findings show that there exist two different transition temperatures and maximum susceptibility depending on the ribbon width in doped structures. Another remarkable point refers to the invalidity (validity) of the Fermi liquid theory in nanoribbons-based systems at weak (strong) concentration of dopants. The obtained interesting results of magnetic phase transition in such system create a new potential for magnetic graphene nanoribbon-based devices.

  6. Atom-Dependent Edge-Enhanced Second-Harmonic Generation on MoS2 Monolayers.

    PubMed

    Lin, Kuang-I; Ho, Yen-Hung; Liu, Shu-Bai; Ciou, Jian-Jhih; Huang, Bo-Ting; Chen, Christopher; Chang, Han-Ching; Tu, Chien-Liang; Chen, Chang-Hsiao

    2018-02-14

    Edge morphology and lattice orientation of single-crystal molybdenum disulfide (MoS 2 ) monolayers, a transition metal dichalcogenide (TMD), possessing a triangular shape with different edges grown by chemical vapor deposition are characterized by atomic force microscopy and transmission electron microscopy. Multiphoton laser scanning microscopy is utilized to study one-dimensional atomic edges of MoS 2 monolayers with localized midgap electronic states, which result in greatly enhanced optical second-harmonic generation (SHG). Microscopic S-zigzag edge and S-Mo Klein edge (bare Mo atoms protruding from a S-zigzag edge) terminations and the edge-atom dependent resonance energies can therefore be deduced based on SHG images. Theoretical calculations based on density functional theory clearly explain the lower energy of the S-zigzag edge states compared to the corresponding S-Mo Klein edge states. Characterization of the atomic-scale variation of edge-enhanced SHG is a step forward in this full-optical and high-yield technique of atomic-layer TMDs.

  7. Mechanical and thermal stability of graphene and graphene-based materials

    NASA Astrophysics Data System (ADS)

    Galashev, A. E.; Rakhmanova, O. R.

    2014-10-01

    Graphene has rapidly become one of the most popular materials for technological applications and a test material for new condensed matter ideas. This paper reviews the mechanical properties of graphene and effects related to them that have recently been discovered experimentally or predicted theoretically or by simulation. The topics discussed are of key importance for graphene's use in integrated electronics, thermal materials, and electromechanical devices and include the following: graphene transformation into other sp^2 hybridization forms; stability to stretching and compression; ion-beam-induced structural modifications; how defects and graphene edges affect the electronic properties and thermal stability of graphene and related composites.

  8. Full-dispersion Monte Carlo simulation of phonon transport in micron-sized graphene nanoribbons

    SciTech Connect

    Mei, S., E-mail: smei4@wisc.edu; Knezevic, I., E-mail: knezevic@engr.wisc.edu; Maurer, L. N.

    2014-10-28

    We simulate phonon transport in suspended graphene nanoribbons (GNRs) with real-space edges and experimentally relevant widths and lengths (from submicron to hundreds of microns). The full-dispersion phonon Monte Carlo simulation technique, which we describe in detail, involves a stochastic solution to the phonon Boltzmann transport equation with the relevant scattering mechanisms (edge, three-phonon, isotope, and grain boundary scattering) while accounting for the dispersion of all three acoustic phonon branches, calculated from the fourth-nearest-neighbor dynamical matrix. We accurately reproduce the results of several experimental measurements on pure and isotopically modified samples [S. Chen et al., ACS Nano 5, 321 (2011);S. Chenmore » et al., Nature Mater. 11, 203 (2012); X. Xu et al., Nat. Commun. 5, 3689 (2014)]. We capture the ballistic-to-diffusive crossover in wide GNRs: room-temperature thermal conductivity increases with increasing length up to roughly 100 μm, where it saturates at a value of 5800 W/m K. This finding indicates that most experiments are carried out in the quasiballistic rather than the diffusive regime, and we calculate the diffusive upper-limit thermal conductivities up to 600 K. Furthermore, we demonstrate that calculations with isotropic dispersions overestimate the GNR thermal conductivity. Zigzag GNRs have higher thermal conductivity than same-size armchair GNRs, in agreement with atomistic calculations.« less

  9. Strain-induced band-gap engineering of graphene monoxide and its effect on graphene

    NASA Astrophysics Data System (ADS)

    Pu, H. H.; Rhim, S. H.; Hirschmugl, C. J.; Gajdardziska-Josifovska, M.; Weinert, M.; Chen, J. H.

    2013-02-01

    Using first-principles calculations we demonstrate the feasibility of band-gap engineering in two-dimensional crystalline graphene monoxide (GMO), a recently reported graphene-based material with a 1:1 carbon/oxygen ratio. The band gap of GMO, which can be switched between direct and indirect, is tunable over a large range (0-1.35 eV) for accessible strains. Electron and hole transport occurs predominantly along the zigzag and armchair directions (armchair for both) when GMO is a direct- (indirect-) gap semiconductor. A band gap of ˜0.5 eV is also induced in graphene at the K' points for GMO/graphene hybrid systems.

  10. Valley dependent transport in graphene L junction

    NASA Astrophysics Data System (ADS)

    Chan, K. S.

    2018-05-01

    We studied the valley dependent transport in graphene L junctions connecting an armchair lead and a zigzag lead. The junction can be used in valleytronic devices and circuits. Electrons injected from the armchair lead into the junction is not valley polarized, but they can become valley polarized in the zigzag lead. There are Fermi energies, where the current in the zigzag lead is highly valley polarized and the junction is an efficient generator of valley polarized current. The features of the valley polarized current depend sensitively on the widths of the two leads, as well as the number of dimers in the armchair lead, because this number has a sensitive effect on the band structure of the armchair lead. When an external potential is applied to the junction, the energy range with high valley polarization is enlarged enhancing its function as a generator of highly valley polarized current. The scaling behavior found in other graphene devices is also found in L junctions, which means that the results presented here can be extended to junctions with larger dimensions after appropriate scaling of the energy.

  11. Width-Dependent Optical Properties for Zigzag-Edge Silicene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Bao, Hai-Rui; Liao, Wen-Hu; Zhang, Xin-Cheng; Zuo, Min

    2018-01-01

    Not Available Supported by the National Natural Science Foundation of China under Grant Nos 11664010 and 11264013, the Hunan Provincial Natural Science Foundation of China under Grant Nos 2017JJ2217 and 12JJ4003, the Scientific Research Fund of Hunan Provincial Education Department of China under Grant No 14B148, the Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province, the Innovation Project for Postgraduate of Hunan Province under Grant No CX2015B549, and the Research Program of Jishou University under Grant Nos 15JDY026 and Jdy16021.

  12. Effect of amino on spin-dependent transport through a junction of fused oligothiophenes between graphene electrodes

    NASA Astrophysics Data System (ADS)

    Cao, Liemao; Li, Xiaobo; Liu, Guang; Liu, Ziran; Zhou, Guanghui

    2017-05-01

    The influence of chemical side groups is significant in physical or chemical understanding the transport through the single molecular junction. Motivated by the recent successful fabrication and measurement of a single organic molecule sandwiched between graphene electrodes (Prins et al., 2011), here we study the spin-dependent transport properties through a junction of a fused oligothiophenes molecule embedded between two zigzag-edged graphene nanoribbon (ZGNR) electrodes. The molecule with and without an attached amino NH2 side group is considered, respectively, and external magnetic fields or FM stripes are applied onto the ZGNRs to initially orient the magnetic alignment of the electrodes for the spin-dependent consideration. By the ab initio calculations based on the density functional theory combined with nonequilibrium Green's function formalism, we have demonstrated the remarkable difference in the spin-charge transport property between the junctions of the molecule with and without NH2 side group. In particular, the junction with side group shows more obvious NDR. In addition, it exhibits an interesting dual spin-filtering effect when the magnetic alignment in electrodes is initially antiparallel-oriented. The mechanisms of the results are revealed and discussed in terms of the spin-resolved transmission spectrum associated with the frontier molecular orbitals evolution, the molecular projected self-consistent Hamiltonian eigenvalues, and the local density of states.

  13. Industrial graphene metrology.

    PubMed

    Kyle, Jennifer Reiber; Ozkan, Cengiz S; Ozkan, Mihrimah

    2012-07-07

    Graphene is an allotrope of carbon whose structure is based on one-atom-thick planar sheets of carbon atoms that are densely packed in a honeycomb crystal lattice. Its unique electrical and optical properties raised worldwide interest towards the design and fabrication of future electronic and optical devices with unmatched performance. At the moment, extensive efforts are underway to evaluate the reliability and performance of a number of such devices. With the recent advances in synthesizing large-area graphene sheets, engineers have begun investigating viable methodologies for conducting graphene metrology and quality control at industrial scales to understand a variety of reliability issues including defects, patternability, electrical, and physical properties. This review summarizes the current state of industrial graphene metrology and provides an overview of graphene metrology techniques. In addition, a recently developed large-area graphene metrology technique based on fluorescence quenching is introduced. For each metrology technique, the industrial metrics it measures are identified--layer thickness, edge structure, defects, Fermi level, and thermal conductivity--and a detailed description is provided as to how the measurements are performed. Additionally, the potential advantages of each technique for industrial use are identified, including throughput, scalability, sensitivity to substrate/environment, and on their demonstrated ability to achieve quantified results. The recently developed fluorescence-quenching metrology technique is shown to meet all the necessary criteria for industrial applications, rendering it the first industry-ready graphene metrology technique.

  14. Physical origins of weak H{sub 2} binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons

    SciTech Connect

    Ulman, Kanchan; Bhaumik, Debarati; Wood, Brandon C.

    2014-05-07

    We have performed ab initio density functional theory calculations, incorporating London dispersion corrections, to study the absorption of molecular hydrogen on zigzag graphene nanoribbons whose edges have been functionalized by OH, NH{sub 2}, COOH, NO{sub 2}, or H{sub 2}PO{sub 3}. We find that hydrogen molecules always preferentially bind at or near the functionalized edge, and display induced dipole moments. Binding is generally enhanced by the presence of polar functional groups. The largest gains are observed for groups with oxygen lone pairs that can facilitate local charge reorganization, with the biggest single enhancement in adsorption energy found for “strong functionalization” bymore » H{sub 2}PO{sub 3} (115 meV/H{sub 2} versus 52 meV/H{sub 2} on bare graphene). We show that for binding on the “outer edge” near the functional group, the presence of the group can introduce appreciable contributions from Debye interactions and higher-order multipole electrostatic terms, in addition to the dominant London dispersion interactions. For those functional groups that contain the OH moiety, the adsorption energy is linearly proportional to the number of lone pairs on oxygen atoms. Mixed functionalization with two different functional groups on a graphene edge can also have a synergistic effect, particularly when electron-donating and electron-withdrawing groups are combined. For binding on the “inner edge” somewhat farther from the functional group, most of the binding again arises from London interactions; however, there is also significant charge redistribution in the π manifold, which directly reflects the electron donating or withdrawing capacity of the functional group. Our results offer insight into the specific origins of weak binding of gas molecules on graphene, and suggest that edge functionalization could perhaps be used in combination with other strategies to increase the uptake of hydrogen in graphene. They also have relevance for the

  15. Optical absorption of zigzag single walled boron nitride nanotubes

    NASA Astrophysics Data System (ADS)

    Moradian, Rostam; Chegel, Raad; Behzad, Somayeh

    2010-11-01

    In a realistic three-dimensional model, optical matrix element and linear optical absorption of zigzag single walled boron nitride nanotubes (BNNTs) in the tight binding approximation are studied. In terms of absolute value of dipole matrix elements of the first three direct transitions at kz=0, we divided the zigzag BNNTs into three groups and investigated their optical absorption spectrum in energy ranges E<5, 77.5 eV. We found that in lower energies, E<5 eV, all groups show different behaviors while in the higher energies, 77.5 eV, their behaviors depend on their even or odd nanotube index. We also found that in the energy range 7

  16. Revealing the Double-Edged Sword Role of Graphene on Boosted Charge Transfer versus Active Site Control in TiO2 Nanotube Arrays@RGO/MoS2 Heterostructure.

    PubMed

    Quan, Quan; Xie, Shunji; Weng, Bo; Wang, Ye; Xu, Yi-Jun

    2018-05-01

    Charge separation/transfer is generally believed to be the most key factor affecting the efficiency of photocatalysis, which however will be counteracted if not taking the active site engineering into account for a specific photoredox reaction. Here, a 3D heterostructure composite is designed consisting of MoS 2 nanoplatelets decorated on reduced graphene oxide-wrapped TiO 2 nanotube arrays (TNTAs@RGO/MoS 2 ). Such a cascade configuration renders a directional migration of charge carriers and controlled immobilization of active sites, thereby showing much higher photoactivity for water splitting to H 2 than binary TNTAs@RGO and TNTAs/MoS 2 . The photoactivity comparison and mechanistic analysis reveal the double-edged sword role of RGO on boosted charge separation/transfer versus active site control in this composite system. The as-observed inconsistency between boosted charge transfer and lowered photoactivity over TNTAs@RGO is attributed to the decrease of active sites for H 2 evolution, which is significantly different from the previous reports in literature. The findings of the intrinsic relationship of balanced benefits from charge separation/transfer and active site control could promote the rational optimization of photocatalyst design by cooperatively manipulating charge flow and active site control, thereby improving the efficiency of photocatalysis for target photoredox processes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Electrografting of thionine diazonium cation onto the graphene edges and decorating with Au nano-dendrites or glucose oxidase: Characterization and electrocatalytic applications.

    PubMed

    Shervedani, Reza Karimi; Amini, Akbar; Sadeghi, Nima

    2016-03-15

    Thionine (Th) diazonium cation is covalently attached onto the glassy carbon (GC) electrode via graphene nanosheets (GNs) (GC-GNs-Th). The GC-GNs-Th electrode is subjected to further modifications to fabricate (i) glucose and (ii) nitrite sensors. Further modifications include: (i) direct immobilization of glucose oxidase (GOx) and (ii) electrodeposition of gold dendrite-like nanostructures (DGNs) on the GC-GNs-Th surface, constructing GC-GNs-Th-GOx and GC-GNs-Th-DGNs modified electrodes, respectively. The GC-GNs-Th-GOx biosensor exhibited a linear response range to glucose, from 0.5 to 6.0mM, with a limit of detection (LOD) of 9.6 μM and high sensitivity of 43.2 µAcm(-2)mM(-1). Also, the GC-GNs-Th-DGNs sensor showed a wide dynamic response range for NO2(-) ion with two linear parts, from 0.05 μM to 1.0 μM and 30.0 μM to 1.0mM, a sensitivity of 263.2 μAmM(-1) and a LOD of 0.01 μM. Applicability of the modified electrodes was successfully tested by determination of glucose in human blood serum and nitrite in water based on addition/recovery tests. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Electrostatic Manipulation of Graphene On Graphite

    NASA Astrophysics Data System (ADS)

    Untiedt, Carlos; Rubio-Verdu, Carmen; Saenz-Arce, Giovanni; Martinez-Asencio, Jesús; Milan, David C.; Moaied, Mohamed; Palacios, Juan J.; Caturla, Maria Jose

    2015-03-01

    Here we report the use of a Scanning Tunneling Microscope (STM) under ambient and vacuum conditions to study the controlled exfoliation of the last layer of a graphite surface when an electrostatic force is applied from a STM tip. In this work we have focused on the study of two parameters: the applied voltage needed to compensate the graphite interlayer attractive force and the one needed to break atomic bonds to produce folded structures. Additionally, we have studied the influence of edge structure in the breaking geometry. Independently of the edge orientation the graphite layer is found to tear through the zig-zag direction and the lifled layer shows a zig-zag folding direction. Molecular Dinamics simulations and DFT calculations have been performed to understand our results, showing a strong correlation with the experiments. Comunidad Valenciana through Prometeo project.

  19. Highly Efficient Carbon Dioxide Hydrogenation to Methanol Catalyzed by Zigzag Platinum-Cobalt Nanowires.

    PubMed

    Bai, Shuxing; Shao, Qi; Feng, Yonggang; Bu, Lingzheng; Huang, Xiaoqing

    2017-06-01

    Carbon dioxide (CO 2 ) hydrogenation is an effective strategy for CO 2 utilization, while unsatisfied conversion efficiencies remain great challenges. It is reported herein that zigzag Pt-Co nanowires (NWs) with Pt-rich surfaces and abundant steps/edges can perform as highly active and stable CO 2 hydrogenation catalysts. It is found that tuning the Pt/Co ratio of the Pt-Co NWs, solvents, and catalyst supports could well optimize the CO 2 hydrogenation to methanol (CH 3 OH) with the Pt 4 Co NWs/C exhibiting the best performance, outperforming all the previous catalysts. They are also very durable with limited activity decays after six catalytic cycles. The diffuse reflectance infrared Fourier transform spectroscopy result of CO 2 adsorption shows that the Pt 4 Co NWs/C undergoes the adsorption/activation of CO 2 by forming appropriate carboxylate intermediates, and thus enhancing the CH 3 OH production. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Role of step stiffness and kinks in the relaxation of vicinal (001) with zigzag [110] steps

    NASA Astrophysics Data System (ADS)

    Mahjoub, B.; Hamouda, Ajmi BH.; Einstein, TL.

    2017-08-01

    We present a kinetic Monte Carlo study of the relaxation dynamics and steady state configurations of 〈110〉 steps on a vicinal (001) simple cubic surface. This system is interesting because 〈110〉 (fully kinked) steps have different elementary excitation energetics and favor step diffusion more than 〈100〉 (nominally straight) steps. In this study we show how this leads to different relaxation dynamics as well as to different steady state configurations, including that 2-bond breaking processes are rate determining for 〈110〉 steps in contrast to 3-bond breaking processes for 〈100〉-steps found in previous work [Surface Sci. 602, 3569 (2008)]. The analysis of the terrace-width distribution (TWD) shows a significant role of kink-generation-annihilation processes during the relaxation of steps: the kinetic of relaxation, toward the steady state, is much faster in the case of 〈110〉-zigzag steps, with a higher standard deviation of the TWD, in agreement with a decrease of step stiffness due to orientation. We conclude that smaller step stiffness leads inexorably to faster step dynamics towards the steady state. The step-edge anisotropy slows the relaxation of steps and increases the strength of step-step effective interactions.

  1. Controllable spin polarization and spin filtering in a zigzag silicene nanoribbon

    SciTech Connect

    Farokhnezhad, Mohsen, E-mail: Mohsen-farokhnezhad@physics.iust.ac.ir; Esmaeilzadeh, Mahdi, E-mail: mahdi@iust.ac.ir; Pournaghavi, Nezhat

    2015-05-07

    Using non-equilibrium Green's function, we study the spin-dependent electron transport properties in a zigzag silicene nanoribbon. To produce and control spin polarization, it is assumed that two ferromagnetic strips are deposited on the both edges of the silicene nanoribbon and an electric field is perpendicularly applied to the nanoribbon plane. The spin polarization is studied for both parallel and anti-parallel configurations of exchange magnetic fields induced by the ferromagnetic strips. We find that complete spin polarization can take place in the presence of perpendicular electric field for anti-parallel configuration and the nanoribbon can work as a perfect spin filter. Themore » spin direction of transmitted electrons can be easily changed from up to down and vice versa by reversing the electric field direction. For parallel configuration, perfect spin filtering can occur even in the absence of electric field. In this case, the spin direction can be changed by changing the electron energy. Finally, we investigate the effects of nonmagnetic Anderson disorder on spin dependent conductance and find that the perfect spin filtering properties of nanoribbon are destroyed by strong disorder, but the nanoribbon retains these properties in the presence of weak disorder.« less

  2. Eccentric mastectomy and zigzag periareolar incision for gynecomastia.

    PubMed

    Tu, Lung-Chen; Tung, Kwang-Yi; Chen, Heng-Chang; Huang, Wen-Chen; Hsiao, Hung-Tao

    2009-07-01

    Gynecomastia is enlargement of the male breast caused by gland proliferation. Surgery is performed for symptom relief or for cosmetic reasons. The authors used a modified operative procedure, then evaluated the results and safety. Between 2001 and 2005, 22 men (median age, 26 years; range, 13-63 years) with gynecomastia underwent surgery. The operative procedure included a zigzag periareolar skin incision, eccentric subcutaneous mastectomy, and liposuction, with postoperative compression. All the patients were satisfied with the results of the surgery, which produced a chest contour resembling a normal male chest rather than simply a smaller breast. The only complication was a hematoma. One patient was found to have breast cancer. The normal male chest contour can be restored by the described method of eccentric subcutaneous mastectomy.

  3. Competing Gap Opening Mechanisms of Monolayer Graphene and Graphene Nanoribbons on Strong Topological Insulators.

    PubMed

    Lin, Zhuonan; Qin, Wei; Zeng, Jiang; Chen, Wei; Cui, Ping; Cho, Jun-Hyung; Qiao, Zhenhua; Zhang, Zhenyu

    2017-07-12

    Graphene is a promising material for designing next-generation electronic and valleytronic devices, which often demand the opening of a bandgap in the otherwise gapless pristine graphene. To date, several conceptually different mechanisms have been extensively exploited to induce bandgaps in graphene, including spin-orbit coupling and inversion symmetry breaking for monolayer graphene, and quantum confinement for graphene nanoribbons (GNRs). Here, we present a multiscale study of the competing gap opening mechanisms in a graphene overlayer and GNRs proximity-coupled to topological insulators (TIs). We obtain sizable graphene bandgaps even without inversion symmetry breaking and identify the Kekulé lattice distortions caused by the TI substrates to be the dominant gap opening mechanism. Furthermore, Kekulé distorted armchair GNRs display intriguing nonmonotonous gap dependence on the nanoribbon width, resulting from the coexistence of quantum confinement, edge passivation, and Kekulé distortions. The present study offers viable new approaches for tunable bandgap engineering in graphene and GNRs.

  4. Improved Photo-Detection Using Zigzag TiO2 Nanostructures as an Active Medium.

    PubMed

    Tiwari, A K; Mondal, A; Mahajan, B K; Choudhuri, B; Goswami, T; Sarkar, M B; Chakrabartty, S; Ngangbam, C; Saha, S

    2015-07-01

    Zigzag TiO2 nanostructures were fabricated using oblique angle deposition technique. The field emission gun-scanning electron microscope (FEG-SEM) image shows that the TiO2 zigzag nanostructures were ~500 nm in length. Averagely two times enhanced UV-Vis absorption was recorded for zigzag structure compared to perpendicular TiO2 nanowires. The main band transition was observed at ~3.4 eV. The zigzag TiO2 exhibited high turn on voltage (+11 V) than that of nanowire (+2 V) detector under dark which were reduced to +0.2 V and +1.0 V under white light illumination, respectively. A maximum ~6 fold photo-responsivity was observed for the zigzag TiO2 compared with nanowire device at + 1.0 V applied potential. The maximum photo-responsivity of 0.36 A/W at 370 nm was measured for the zigzag TiO2 detector. The TiO2 zigzag detector showed slow response with rise time of 10.2 s and fall time of 10.3 s respectively. The UV (370 nm) to visible (450 nm) wavelength rejection ratio of photo-responsivity was recorded ~4 times for the detector.

  5. Topological Valley Transport at Bilayer Graphene Domain Walls

    DTIC Science & Technology

    2015-04-22

    2015. Published online 22 April 2015. 1. McCann, E. Asymmetry gap in the electronic band structure of bilayer graphene . Phys. Rev. B 74, 161403 (2006...6. Yao, W., Yang, S. A. & Niu, Q. Edge states in graphene : from gapped flat- band to gapless chiral modes. Phys. Rev. Lett. 102, 096801 (2009). 7...induced in bilayer graphene by an external electric field1–5, and such gapped bilayer graphene is predicted to be a topo- logical insulating phase

  6. Ultra-Flexibility and Unusual Electronic, Magnetic and Chemical Properties of Waved Graphenes and Nanoribbons

    PubMed Central

    Pan, Hui; Chen, Bin

    2014-01-01

    Two-dimensional materials have attracted increasing attention because of their particular properties and potential applications in next-generation nanodevices. In this work, we investigate the physical and chemical properties of waved graphenes/nanoribbons based on first-principles calculations. We show that waved graphenes are compressible up to a strain of 50% and ultra-flexible because of the vanishing in-plane stiffness. The conductivity of waved graphenes is reduced due to charge decoupling under high compression. Our analysis of pyramidalization angles predicts that the chemistry of waved graphenes can be easily controlled by modulating local curvatures. We further demonstrate that band gaps of armchair waved graphene nanoribbons decrease with the increase of compression if they are asymmetrical in geometry, while increase if symmetrical. For waved zigzag nanoribbons, their anti-ferromagnetic states are strongly enhanced by increasing compression. The versatile functions of waved graphenes enable their applications in multi-functional nanodevices and sensors. PMID:24569444

  7. Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise?

    NASA Astrophysics Data System (ADS)

    Huzak, M.; Deleuze, M. S.; Hajgató, B.

    2011-09-01

    An analysis using the formalism of crystalline orbitals for extended systems with periodicity in one dimension demonstrates that any antiferromagnetic and half-metallic spin-polarization of the edge states in n-acenes, and more generally in zigzag graphene nanoislands and nanoribbons of finite width, would imply a spin contamination ⟨S2⟩ that increases proportionally to system size, in sharp and clear contradiction with the implications of Lieb's theorem for compensated bipartite lattices and the expected value for a singlet (S = 0) electronic ground state. Verifications on naphthalene, larger n-acenes (n = 3-10) and rectangular nanographene islands of increasing size, as well as a comparison using unrestricted Hartree-Fock theory along with basis sets of improving quality against various many-body treatments demonstrate altogether that antiferromagnetism and half-metallicity in extended graphene nanoribbons will be quenched by an exact treatment of electron correlation, at the confines of non-relativistic many-body quantum mechanics. Indeed, for singlet states, symmetry-breakings in spin-densities are necessarily the outcome of a too approximate treatment of static and dynamic electron correlation in single-determinantal approaches, such as unrestricted Hartree-Fock or Density Functional Theory. In this context, such as the size-extensive spin-contamination to which it relates, half-metallicity is thus nothing else than a methodological artefact.

  8. Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: an impossible compromise?

    PubMed

    Huzak, M; Deleuze, M S; Hajgató, B

    2011-09-14

    An analysis using the formalism of crystalline orbitals for extended systems with periodicity in one dimension demonstrates that any antiferromagnetic and half-metallic spin-polarization of the edge states in n-acenes, and more generally in zigzag graphene nanoislands and nanoribbons of finite width, would imply a spin contamination S(2) that increases proportionally to system size, in sharp and clear contradiction with the implications of Lieb's theorem for compensated bipartite lattices and the expected value for a singlet (S = 0) electronic ground state. Verifications on naphthalene, larger n-acenes (n = 3-10) and rectangular nanographene islands of increasing size, as well as a comparison using unrestricted Hartree-Fock theory along with basis sets of improving quality against various many-body treatments demonstrate altogether that antiferromagnetism and half-metallicity in extended graphene nanoribbons will be quenched by an exact treatment of electron correlation, at the confines of non-relativistic many-body quantum mechanics. Indeed, for singlet states, symmetry-breakings in spin-densities are necessarily the outcome of a too approximate treatment of static and dynamic electron correlation in single-determinantal approaches, such as unrestricted Hartree-Fock or Density Functional Theory. In this context, such as the size-extensive spin-contamination to which it relates, half-metallicity is thus nothing else than a methodological artefact. © 2011 American Institute of Physics

  9. Study on zigzag maneuver characteristics of V-U very large crude oil (VLCC) tankers

    NASA Astrophysics Data System (ADS)

    Jaswar, Maimun, A.; Wahid, M. A.; Priyanto, A.; Zamani, Pauzi, Saman

    2012-06-01

    The Department of Marine Technology at the Faculty of Mechanical Engineering, University Teknologi Malaysia has recently developed an Ship Maneuverability tool which intends to upgrade student's level understanding the application of fluid dynamic on interaction between hull, propeller, and rudder during maneuvering. This paper discusses zigzag maneuver for conventional Very Large Crude Oil (VLCC) ships with the same principal dimensions but different stern flame shape. 10/10 zigzag maneuver characteristics of U and V types of VLCC ships are investigated. Simulation results for U-type show a good agreement with the experimental data, but V-type not good agreement with experimental one. Further study on zigzag maneuver characteristics are required.

  10. Aharonov-Bohm effect in bilayer graphene

    NASA Astrophysics Data System (ADS)

    Park, Chang-Soo

    2017-06-01

    We investigate Aharonov-Bohm effect in bilayer graphene. We consider a setup of n- p (n‧)-n junction with Aharonov-Bohm loop connected in the transmission region. In the presence of trigonal warping we show that, due to the anisotropic dispersion of eigenspectrum, the Aharonov-Bohm interference depends on the geometry of junction: it exists for armchair interface but vanishes for zigzag interface. For the armchair interface, it is demonstrated that the period of Aharonov-Bohm oscillation is Φ0 = h / e and the amplitude of oscillation can be varied with incident energy and the barrier height of the junction.

  11. Graphene: from functionalization to devices

    NASA Astrophysics Data System (ADS)

    Tejeda, Antonio; Soukiassian, Patrick G.

    2014-03-01

    electric field to operate logic gates. Plaçais et al then show the realization of graphene microwave nano-transistors that are especially suitable for fast charge detectors. Matsumoto et al describe next some interesting graphene-based biosensor applications, while the following article by Otsuji et al shows recent advances in plasmonics in terahertz device applications. This section ends with the Dollfus et al article dealing with non-linear effects in graphene devices investigated by simulation methods. The second section concerns the electronic and transport properties and includes four articles. The first one by Gurzadyan et al provides an investigation of graphene oxide in water by femtosecond pump-probe spectroscopy to study its transient absorption properties. Jouault et al then review the quantum Hall effect of self-organized graphene monolayers epitaxially grown on the C-face of SiC. Next, Petkovic et al report on the observation of edge magneto-plasmons in graphene. Finally, Roche and Valenzuela focus on the limits of conventional views in graphene spin transport and offer novel perspectives for further progress. The third section addresses graphene tailoring and functionalization as studied by Genorio and Znidarsic for graphene nanoribbons, or by atomic intercalation as shown by the two articles from Starke and Forti, and from Bisson et al. The last section is devoted to graphene growth and morphology. Ogino et al first describe a method to grow graphene on insulating substrates using polymer films as a carbon source. Then, Suemitsu et al show the recent progresses in epitaxial graphene formation on cubic silicon carbide thin films. Finally, Norimatsu and Kusunoki investigate the structural properties and morphology of epitaxial graphene grown on hexagonal silicon carbide substrates by using a high-resolution transmission electron microscope, their article closing this Special Issue .

  12. Structural analysis, electronic properties, and band gaps of a graphene nanoribbon: A new 2D materials

    NASA Astrophysics Data System (ADS)

    Dass, Devi

    2018-03-01

    Graphene nanoribbon (GNR), a new 2D carbon nanomaterial, has some unique features and special properties that offer a great potential for interconnect, nanoelectronic devices, optoelectronics, and nanophotonics. This paper reports the structural analysis, electronic properties, and band gaps of a GNR considering different chirality combinations obtained using the pz orbital tight binding model. In structural analysis, the analytical expressions for GNRs have been developed and verified using the simulation for the first time. It has been found that the total number of unit cells and carbon atoms within an overall unit cell and molecular structure of a GNR have been changed with the change in their chirality values which are similar to the values calculated using the developed analytical expressions thus validating both the simulation as well as analytical results. Further, the electronic band structures at different chirality values have been shown for the identification of metallic and semiconductor properties of a GNR. It has been concluded that all zigzag edge GNRs are metallic with very small band gaps range whereas all armchair GNRs show both the metallic and semiconductor nature with very small and high band gaps range. Again, the total number of subbands in each electronic band structure is equal to the total number of carbon atoms present in overall unit cell of the corresponding GNR. The semiconductors GNRs can be used as a channel material in field effect transistor suitable for advanced CMOS technology whereas the metallic GNRs could be used for interconnect.

  13. A Two-Dimensional 'Zigzag' Silica Polymorph on a Metal Support.

    PubMed

    Kuhness, David; Yang, Hyun Jin; Klemm, Hagen W; Prieto, Mauricio; Peschel, Gina; Fuhrich, Alexander; Menzel, Dietrich; Schmidt, Thomas; Yu, Xin; Shaikhutdinov, Shamil; Lewandowski, Adrian; Heyde, Markus; Kelemen, Anna; Włodarczyk, Radosław; Usvyat, Denis; Schütz, Martin; Sauer, Joachim; Freund, Hans-Joachim

    2018-05-16

    We present a new polymorph of the two-dimensional (2D) silica film with a characteristic 'zigzag' line structure and a rectangular unit cell which forms on a Ru(0001) metal substrate. This new silica polymorph may allow for important insights into growth modes and transformations of 2D silica films as a model system for the study of glass transitions. Based on scanning tunneling microscopy, low energy electron diffraction, infrared reflection absorption spectroscopy, and X-ray photoelectron spectroscopy measurements on the one hand, and density functional theory calculations on the other, a structural model for the 'zigzag' polymorph is proposed. In comparison to established monolayer and bilayer silica, this 'zigzag' structure system has intermediate characteristics in terms of coupling to the substrate and stoichiometry. The silica 'zigzag' phase is transformed upon reoxidation at higher annealing temperature into a SiO 2 silica bilayer film which is chemically decoupled from the substrate.

  14. Coupling of Armchair and Zigzag Tubes to a Free Electron Metal

    NASA Technical Reports Server (NTRS)

    Anantram, M. P.; Biegel, Bryan (Technical Monitor)

    2001-01-01

    The effect of nanotube chirality is of prime importance in determining its electronic properties. We address the issue of how chirality affects the coupling of a nanotube to metal contacts. We model coupling of armchair and zigzag nanotubes to metal contacts, in both the side- and end-contacted geometries. In the side-contacted geometry, the coupling of armchair and metallic-zigzag nanotubes to a free electron metal are significantly different. Namely, it is possible to drive a larger current through a metallic-zigzag nanotube. The predicted difference holds good when both (a) the entire circumference and (b) only a finite sector of the nanotube makes contact to the metal electrode. It might be possible to observe the predicted difference between armchair and zigzag nanotubes using gold contacts.

  15. Chiral Graphene Quantum Dots

    DOE PAGES

    Suzuki, Nozomu; Wang, Yichun; Elvati, Paolo; ...

    2016-01-15

    Chiral nanostructures from metals and semiconductors attract wide interest as components for polarization-enabled optoelectronic devices. Similarly to other fields of nanotechnology, graphene-based materials can greatly enrich physical and chemical phenomena associated with optical and electronic properties of chiral nanostructures and facilitate their applications in biology as well as other areas. Here, we report that covalent attachment of l/d-cysteine moieties to the edges of graphene quantum dots (GQDs) leads to their helical buckling due to chiral interactions at the “crowded” edges. Circular dichroism (CD) spectra of the GQDs revealed bands at ca. 210–220 and 250–265 nm that changed their signs formore » different chirality of the cysteine edge ligands. The high-energy chiroptical peaks at 210–220 nm correspond to the hybridized molecular orbitals involving the chiral center of amino acids and atoms of graphene edges. Diverse experimental and modeling data, including density functional theory calculations of CD spectra with probabilistic distribution of GQD isomers, indicate that the band at 250–265 nm originates from the three-dimensional twisting of the graphene sheet and can be attributed to the chiral excitonic transitions. The positive and negative low-energy CD bands correspond to the left and right helicity of GQDs, respectively. Exposure of liver HepG2 cells to l/d-GQDs reveals their general biocompatibility and a noticeable difference in the toxicity of the stereoisomers. Molecular dynamics simulations demonstrated that d-GQDs have a stronger tendency to accumulate within the cellular membrane than l-GQDs. Finally, emergence of nanoscale chirality in GQDs decorated with biomolecules is expected to be a general stereochemical phenomenon for flexible sheets of nanomaterials.« less

  16. A computational NMR study on zigzag aluminum nitride nanotubes

    NASA Astrophysics Data System (ADS)

    Bodaghi, Ali; Mirzaei, Mahmoud; Seif, Ahmad; Giahi, Masoud

    2008-12-01

    A computational nuclear magnetic resonance (NMR) study is performed to investigate the electronic structure properties of the single-walled zigzag aluminum nitride nanotubes (AlNNTs). The chemical-shielding (CS) tensors are calculated at the sites of Al-27 and N-15 nuclei in three structural forms of AlNNT including H-saturated, Al-terminated, and N-terminated ones. The structural forms are firstly optimized and then the calculated CS tensors in the optimized structures are converted to chemical-shielding isotropic (CSI) and chemical-shielding anisotropic (CSA) parameters. The calculated parameters reveal that various Al-27 and N-15 nuclei are divided into some layers with equivalent electrostatic properties; furthermore, Al and N can act as Lewis base and acid, respectively. In the Al-terminated and N-terminated forms of AlNNT, in which one mouth of the nanotube is terminated by aluminum and nitrogen nuclei, respectively, just the CS tensors of the nearest nuclei to the mouth of the nanotube are significantly changed due to removal of saturating hydrogen atoms. Density functional theory (DFT) calculations are performed using GAUSSIAN 98 package of program.

  17. Molecular adsorption on graphene

    NASA Astrophysics Data System (ADS)

    Kong, Lingmei; Enders, Axel; Rahman, Talat S.; Dowben, Peter A.

    2014-11-01

    Current studies addressing the engineering of charge carrier concentration and the electronic band gap in epitaxial graphene using molecular adsorbates are reviewed. The focus here is on interactions between the graphene surface and the adsorbed molecules, including small gas molecules (H2O, H2, O2, CO, NO2, NO, and NH3), aromatic, and non-aromatic molecules (F4-TCNQ, PTCDA, TPA, Na-NH2, An-CH3, An-Br, Poly (ethylene imine) (PEI), and diazonium salts), and various biomolecules such as peptides, DNA fragments, and other derivatives. This is followed by a discussion on graphene-based gas sensor concepts. In reviewing the studies of the effects of molecular adsorption on graphene, it is evident that the strong manipulation of graphene’s electronic structure, including p- and n-doping, is not only possible with molecular adsorbates, but that this approach appears to be superior compared to these exploiting edge effects, local defects, or strain. However, graphene-based gas sensors, albeit feasible because huge adsorbate-induced variations in the relative conductivity are possible, generally suffer from the lack of chemical selectivity.

  18. Effectiveness of zigzag Incision and 1.5-Layer method for frontotemporal craniotomy

    PubMed Central

    Minami, Noriaki; Kimura, Toshikazu; Kohmura, Eiji

    2014-01-01

    Background: In this era of minimally invasive treatment, it is important to make operative scars as inconspicuous as possible, and there is a great deal of room for improvement in daily practice. Zigzag incision with coronal incision has been described mainly in the field of plastic surgery, and its applicability for skin incision in general neurosurgery has not been reported. Methods: Zigzag incision with 1.5-layer method was applied to 14 patients with unruptured cerebral aneurysm between April 2011 and August 2012. A questionnaire survey was administered among patients with unruptured aneurysm using SF-36v2 since April 2010. The results were compared between patients with zigzag incision and a previous cohort with traditional incision. Results: There were no cases of complications associated with the operative wound. In the questionnaire survey, all parameters tended to be better in the patients with zigzag incision, and role social component score (RCS) was significantly higher in the zigzag group than in the traditional incision group (P =0.0436). Conclusion: Zigzag incision using the 1.5-layer method with frontotemporal craniotomy seems to represent an improvement over the conventional curvilinear incision with regard to cosmetic outcome and RCS. PMID:24991472

  19. Edge states in a ferromagnetic honeycomb lattice with armchair boundaries

    NASA Astrophysics Data System (ADS)

    Pantaleón, Pierre A.; Xian, Y.

    2018-02-01

    We investigate the properties of magnon edge states in a ferromagnetic honeycomb lattice with armchair boundaries. In contrast with fermionic graphene, we find novel edge states due to the missing bonds along the boundary sites. After introducing an external on-site potential at the outermost sites we find that the energy spectra of the edge states are tunable. Additionally, when a non-trivial gap is induced, we find that some of the edge states are topologically protected and also tunable. Our results may explain the origin of the novel edge states recently observed in photonic lattices. We also discuss the behavior of these edge states for further experimental confirmations.

  20. Magnetism of Nanographene-Based Microporous Carbon and Its Applications: Interplay of Edge Geometry and Chemistry Details in the Edge State

    NASA Astrophysics Data System (ADS)

    Enoki, Toshiaki; Kiguchi, Manabu

    2018-03-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. Nanographenes have important edge geometry dependence in their electronic structures. In armchair edges, electron wave interference works to contribute to energetic stability. Meanwhile, zigzag edges possess an edge-localized and spin-polarized nonbonding edge state, which causes electronic, magnetic, and chemical activities. In addition to the geometry dependence, the electronic structures are seriously affected by edge chemistry details. The edge chemistry dependence together with edge geometries on the electronic structures are discussed with samples of randomly networked nanographenes (microporous activated carbon fibers) in pristine state and under high-temperature annealing. In the pristine sample with the edges oxidized in ambient atmospheric conditions, the edge state, which is otherwise unstable, can be stabilized because of the charge transfer from nanographene to terminating oxygen. Nanographene, whose edges consist of a combination of magnetic zigzag edges and nonmagnetic armchair edges, is found to be ferrimagnetic with a nonzero net magnetic moment created under the interplay between a strong intrazigzag-edge ferromagnetic interaction and intermediate-strength interzigzag-edge antiferromagnetic-ferromagnetic interaction. At heat-treatment temperatures just below the fusion start (approximately 1500 K), the edge-terminating structure is changed from oxygen-containing groups to hydrogen in the nanographene network. Additionally, hydrogen-terminated zigzag edges, which are present as the majority and chemically unstable, play a triggering role in fusion above 1500 K. The fusion start brings about an insulator-to-metal transition at TI -M˜1500 K . Local fusions taking place percolatively between nanographenes work to expand the π -bond network, eventually resulting in the development of antiferromagnetic short-range order toward spin glass in the

  1. Graphene Transistor fabricated by Helium Ion Milling

    NASA Astrophysics Data System (ADS)

    Zhang, Kaiwen; Zhao, Xiangming; Xu, Xiangfan; Vignesh, Viswanathan; Li, Baowen; Pickard, Daniel; Özyilmaz, Barbaros; Department of Physics, National University of Singapore Team; Department of Electrical; Computer Engineering, National University of Singapore Team; eNanoCore, National University of Singapore Team

    2011-03-01

    We report the direct patterning of graphene for various nano-device applications. The Helium Ion Microscope (HIM), able to resolve nano-scale features on solid samples with an edge resolution of a mere 0.25 nm, has a number of attributes which make it attractive for the imaging of graphene structures. Even more compelling is the ability to directly modify graphene, through surface sputtering, enabling direct pattern transfer for the fabrication of graphene devices. The integration of the HIM with a vector pattern generator (Nano Pattern Generation System, NPGS), provides the capability to directly pattern graphene into nano-ribbons. We have successfully fabricated sub-100nm graphene nano-ribbon devices on Si/SiO2 substrate. Resistance measurement has been made as a function of temperature.

  2. Giant and Tunable Anisotropy of Nanoscale Friction in Graphene

    NASA Astrophysics Data System (ADS)

    Capaz, Rodrigo; Menezes, Marcos; Almeida, Clara; de Cicco, Marcelo; Achete, Carlos; Fragneaud, Benjamin; Cançado, Luiz Gustavo; Paupitz, Ricardo; Galvão, Douglas; Prioli, Rodrigo

    The nanoscale friction between an atomic force microscopy tip and graphene is investigated using friction force microscopy (FFM). During the tip movement, friction forces are observed to increase and then saturate in a highly anisotropic manner. As a result, the friction coefficient of graphene is highly dependent on the scanning direction: Under some conditions, the energy dissipated along the armchair direction can be 80% higher than along the zigzag direction. In comparison, for highly-oriented pyrolitic graphite (HOPG), the friction anisotropy between armchair and zigzag directions is only 15%. This giant friction anisotropy in graphene results from anisotropies in the amplitudes of flexural deformations of the graphene sheet driven by the tip movement, not present in HOPG. The effect can be seen as a novel manifestation of the classical phenomenon of Euler buckling at the nanoscale, which provides the non-linear ingredients that amplify friction anisotropy. Simulations based on a novel version of the 2D Tomlinson model (modified to include the effects of flexural deformations), as well as fully atomistic molecular dynamics simulations and first-principles density-functional theory (DFT) calculations, are able to reproduce and explain the experimental observations.

  3. Giant and Tunable Anisotropy of Nanoscale Friction in Graphene

    NASA Astrophysics Data System (ADS)

    Almeida, Clara M.; Prioli, Rodrigo; Fragneaud, Benjamin; Cançado, Luiz Gustavo; Paupitz, Ricardo; Galvão, Douglas S.; de Cicco, Marcelo; Menezes, Marcos G.; Achete, Carlos A.; Capaz, Rodrigo B.

    2016-08-01

    The nanoscale friction between an atomic force microscopy tip and graphene is investigated using friction force microscopy (FFM). During the tip movement, friction forces are observed to increase and then saturate in a highly anisotropic manner. As a result, the friction forces in graphene are highly dependent on the scanning direction: under some conditions, the energy dissipated along the armchair direction can be 80% higher than along the zigzag direction. In comparison, for highly-oriented pyrolitic graphite (HOPG), the friction anisotropy between armchair and zigzag directions is only 15%. This giant friction anisotropy in graphene results from anisotropies in the amplitudes of flexural deformations of the graphene sheet driven by the tip movement, not present in HOPG. The effect can be seen as a novel manifestation of the classical phenomenon of Euler buckling at the nanoscale, which provides the non-linear ingredients that amplify friction anisotropy. Simulations based on a novel version of the 2D Tomlinson model (modified to include the effects of flexural deformations), as well as fully atomistic molecular dynamics simulations and first-principles density-functional theory (DFT) calculations, are able to reproduce and explain the experimental observations.

  4. Graphene aerogels

    DOEpatents

    Pauzauskie, Peter J; Worsley, Marcus A; Baumann, Theodore F; Satcher, Jr., Joe H; Biener, Juergen

    2015-03-31

    Graphene aerogels with high conductivity and surface areas including a method for making a graphene aerogel, including the following steps: (1) preparing a reaction mixture comprising a graphene oxide suspension and at least one catalyst; (2) curing the reaction mixture to produce a wet gel; (3) drying the wet gel to produce a dry gel; and (4) pyrolyzing the dry gel to produce a graphene aerogel. Applications include electrical energy storage including batteries and supercapacitors.

  5. Edge Bioinformatics

    SciTech Connect

    Lo, Chien-Chi

    2015-08-03

    Edge Bioinformatics is a developmental bioinformatics and data management platform which seeks to supply laboratories with bioinformatics pipelines for analyzing data associated with common samples case goals. Edge Bioinformatics enables sequencing as a solution and forward-deployed situations where human-resources, space, bandwidth, and time are limited. The Edge bioinformatics pipeline was designed based on following USE CASES and specific to illumina sequencing reads. 1. Assay performance adjudication (PCR): Analysis of an existing PCR assay in a genomic context, and automated design of a new assay to resolve conflicting results; 2. Clinical presentation with extreme symptoms: Characterization of a known pathogen ormore » co-infection with a. Novel emerging disease outbreak or b. Environmental surveillance« less

  6. Edge effects on the electronic properties of phosphorene nanoribbons

    SciTech Connect

    Peng, Xihong, E-mail: xihong.peng@asu.edu; Copple, Andrew; Wei, Qun

    2014-10-14

    Two dimensional few-layer black phosphorus crystal structures have recently been fabricated and have demonstrated great potential in electronic applications. In this work, we employed first principles density functional theory calculations to study the edge and quantum confinement effects on the electronic properties of the phosphorene nanoribbons (PNR). Different edge functionalization groups, such as H, F, Cl, OH, O, S, and Se, in addition to a pristine case were studied for a series of ribbon widths up to 3.5 nm. It was found that the armchair-PNRs (APNRs) are semiconductors for all edge groups considered in this work. However, the zigzag-PNRs (ZPNRs)more » show either semiconductor or metallic behavior in dependence on their edge chemical species. Family 1 edges (i.e., H, F, Cl, OH) form saturated bonds with P atoms in the APNRs and ZPNRs, and the edge states keep far away from the band gap. However, Family 2 edges (pristine, O, S, Se) form weak unsaturated bonds with the p{sub z} orbital of the phosphorus atoms and bring edge states within the band gap of the ribbons. For the ZPNRs, the edge states of Family 2 are present around the Fermi level within the band gap, which close up the band gap of the ZPNRs. For the APNRs, these edge states are located at the bottom of the conduction band and result in a reduced band gap.« less

  7. Electronic Structures of Silicene Nanoribbons: Two-Edge-Chemistry Modification and First-Principles Study.

    PubMed

    Yao, Yin; Liu, Anping; Bai, Jianhui; Zhang, Xuanmei; Wang, Rui

    2016-12-01

    In this paper, we investigate the structural and electronic properties of zigzag silicene nanoribbons (ZSiNRs) with edge-chemistry modified by H, F, OH, and O, using the ab initio density functional theory method and local spin-density approximation. Three kinds of spin polarized configurations are considered: nonspin polarization (NM), ferromagnetic spin coupling for all electrons (FM), ferromagnetic ordering along each edge, and antiparallel spin orientation between the two edges (AFM). The H, F, and OH groups modified 8-ZSiNRs have the AFM ground state. The directly edge oxidized (O1) ZSiNRs yield the same energy and band structure for NM, FM, and AFM configurations, owning to the same s p (2) hybridization. And replacing the Si atoms on the two edges with O atoms (O2) yields FM ground state. The edge-chemistry-modified ZSiNRs all exhibit metallic band structures. And the modifications introduce special edge state strongly localized at the Si atoms in the edge, except for the O1 form. The modification of the zigzag edges of silicene nanoribbons is a key issue to apply the silicene into the field effect transistors (FETs) and gives more necessity to better understand the experimental findings.

  8. PREFACE: Graphene Graphene

    NASA Astrophysics Data System (ADS)

    Singleton, John; Ferry, David K.

    2009-08-01

    As is now well known, graphene was made in 2004 by the 'simple' expedient of cleaving a single atomic layer from a sample of graphite using a piece of sticky tape [1, 2]. This discovery stimulated a whirlwind of activity; at last, predictions about the unique behaviour of band electrons in a two-dimensional honeycomb lattice made as early as the 1940s could be verified experimentally [1, 2]. Perhaps the most influential result has been the confirmation that the charge carriers in graphene behave in many ways as 'Dirac fermions', mimicing the dynamics of hyper-relativistic electrons, but with 1/300th of the velocity. Another important pairing of prediction and result has been the observation of carrier mobilities that have an unusual (in)dependence on impurity concentration, suggesting applications in high-speed ballistic transistors and even the eventual part replacement of silicon by graphene as the devices on chips become ever smaller [1, 2]. As a result of the considerable and rapid activity in this field, reviews of the properties of graphene have appeared; a good introduction to the early work at a level appropriate to students is given in [1], whilst [2] covers more recent progress at a more advanced level. However, the field is progressing so rapidly that even good reviews become dated by the time they appear in print, and new work and studies are appearing daily. In this issue, we have tried to pull together a group of papers which examine some of these new areas of work in graphene; these range from low-temperature physics to high electric field transport at room temperature [3]. Given the postulated future use of graphene in ultra-small devices, it is no surprise that quantum dots and wires feature heavily in the articles by Peres et al [4], Huang et al [5] and Sun and Xie [6]. Moreover, applications will inevitably involve graphene in contact with other materials and chemical systems, resulting in modifications to its electronic properties. For example

  9. Modeling the Charge Transport in Graphene Nano Ribbon Interfaces for Nano Scale Electronic Devices

    NASA Astrophysics Data System (ADS)

    Kumar, Ravinder; Engles, Derick

    2015-05-01

    In this research work we have modeled, simulated and compared the electronic charge transport for Metal-Semiconductor-Metal interfaces of Graphene Nano Ribbons (GNR) with different geometries using First-Principle calculations and Non-Equilibrium Green's Function (NEGF) method. We modeled junctions of Armchair GNR strip sandwiched between two Zigzag strips with (Z-A-Z) and Zigzag GNR strip sandwiched between two Armchair strips with (A-Z-A) using semi-empirical Extended Huckle Theory (EHT) within the framework of Non-Equilibrium Green Function (NEGF). I-V characteristics of the interfaces were visualized for various transport parameters. The distinct changes in conductance and I-V curves reported as the Width across layers, Channel length (Central part) was varied at different bias voltages from -1V to 1 V with steps of 0.25 V. From the simulated results we observed that the conductance through A-Z-A graphene junction is in the range of 10-13 Siemens whereas the conductance through Z-A-Z graphene junction is in the range of 10-5 Siemens. These suggested conductance controlled mechanisms for the charge transport in the graphene interfaces with different geometries is important for the design of graphene based nano scale electronic devices like Graphene FETs, Sensors.

  10. Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene.

    PubMed

    Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; Son, Young-Woo; Park, Yeonggu; Lee, Mi Jung; Byun, Ik-Su; Kim, Jin-Soo; Choi, Choon-Gi; Bostwick, Aaron; Rotenberg, Eli; Park, Bae Ho

    2014-12-01

    Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzag directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. The correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.

  11. A GEM readout with radial zigzag strips and linear charge-sharing response

    NASA Astrophysics Data System (ADS)

    Zhang, Aiwu; Hohlmann, Marcus; Azmoun, Babak; Purschke, Martin L.; Woody, Craig

    2018-04-01

    We study the position sensitivity of radial zigzag strips intended to read out large GEM detectors for tracking at future experiments. Zigzag strips can cover a readout area with fewer strips than regular straight strips while maintaining good spatial resolution. Consequently, they can reduce the number of required electronic channels and related cost for large-area GEM detector systems. A non-linear relation between incident particle position and hit position measured from charge sharing among zigzag strips was observed in a previous study. We significantly reduce this non-linearity by improving the interleaving of adjacent physical zigzag strips. Zigzag readout structures are implemented on PCBs and on a flexible foil and are tested using a 10 cm × 10 cm triple-GEM detector scanned with a strongly collimated X-ray gun on a 2D motorized stage. Angular resolutions of 60-84 μrad are achieved with a 1.37 mrad angular strip pitch at a radius of 784 mm. On a linear scale this corresponds to resolutions below 100 μm.

  12. A GEM readout with radial zigzag strips and linear charge-sharing response

    DOE PAGES

    Zhang, Aiwu; Hohlmann, Marcus; Azmoun, Babak; ...

    2018-01-10

    Here, we study the position sensitivity of radial zigzag strips intended to read out large GEM detectors for tracking at future experiments. Zigzag strips can cover a readout area with fewer strips than regular straight strips while maintaining good spatial resolution. Consequently, they can reduce the number of required electronic channels and related cost for large-area GEM detector systems. A non-linear relation between incident particle position and hit position measured from charge sharing among zigzag strips was observed in a previous study. We significantly reduce this non-linearity by improving the interleaving of adjacent physical zigzag strips. Zigzag readout structures aremore » implemented on PCBs and on a flexible foil and are tested using a 10 cm × 10 cm triple-GEM detector scanned with a strongly collimated X-ray gun on a 2D motorized stage. Lastly, angular resolutions of 60–84 μrad are achieved with a 1.37 mrad angular strip pitch at a radius of 784 mm. On a linear scale this corresponds to resolutions below 100 μm.« less

  13. Observation of valley-dependent beams in photonic graphene.

    PubMed

    Deng, Fusheng; Sun, Yong; Wang, Xiao; Xue, Rui; Li, Yuan; Jiang, Haitao; Shi, Yunlong; Chang, Kai; Chen, Hong

    2014-09-22

    Valley-dependent propagation of light in an artificial photonic hexagonal lattice, akin to electrons in graphene, is investigated in microwave regime. Both numerical and experimental results show that the valley degeneracy in the photonic graphene is broken when the frequency is away from the Dirac point. The peculiar anisotropic wave transport property due to distinct valleys is analyzed using the equifrequency contours. More interestingly, the valley-dependent self-collimation and beam splitting phenomena are experimentally demonstrated with the armchair and zigzag interfaces, respectively. Our results confirm that there are two inequivalent Dirac points that lead to two distinct valleys in photonic graphene, which could be used to control the flow of light and might be used to carry information in valley polarized beam splitter, collimator or guiding device.

  14. A new security solution to JPEG using hyper-chaotic system and modified zigzag scan coding

    NASA Astrophysics Data System (ADS)

    Ji, Xiao-yong; Bai, Sen; Guo, Yu; Guo, Hui

    2015-05-01

    Though JPEG is an excellent compression standard of images, it does not provide any security performance. Thus, a security solution to JPEG was proposed in Zhang et al. (2014). But there are some flaws in Zhang's scheme and in this paper we propose a new scheme based on discrete hyper-chaotic system and modified zigzag scan coding. By shuffling the identifiers of zigzag scan encoded sequence with hyper-chaotic sequence and accurately encrypting the certain coefficients which have little relationship with the correlation of the plain image in zigzag scan encoded domain, we achieve high compression performance and robust security simultaneously. Meanwhile we present and analyze the flaws in Zhang's scheme through theoretical analysis and experimental verification, and give the comparisons between our scheme and Zhang's. Simulation results verify that our method has better performance in security and efficiency.

  15. Application of the Refined Zigzag Theory to the Modeling of Delaminations in Laminated Composites

    NASA Technical Reports Server (NTRS)

    Groh, Rainer M. J.; Weaver, Paul M.; Tessler, Alexander

    2015-01-01

    The Refined Zigzag Theory is applied to the modeling of delaminations in laminated composites. The commonly used cohesive zone approach is adapted for use within a continuum mechanics model, and then used to predict the onset and propagation of delamination in five cross-ply composite beams. The resin-rich area between individual composite plies is modeled explicitly using thin, discrete layers with isotropic material properties. A damage model is applied to these resin-rich layers to enable tracking of delamination propagation. The displacement jump across the damaged interfacial resin layer is captured using the zigzag function of the Refined Zigzag Theory. The overall model predicts the initiation of delamination to within 8% compared to experimental results and the load drop after propagation is represented accurately.

  16. Atomistic mechanisms for bilayer growth of graphene on metal substrates

    DOE PAGES

    Chen, Wei; Cui, Ping; Zhu, Wenguang; ...

    2015-01-08

    Epitaxial growth on metal substrates has been shown to be the most powerful approach in producing large-scale high-quality monolayer graphene, yet it remains a major challenge to realize uniform bilayer graphene growth. Here we carry out a comparative study of the atomistic mechanisms for bilayer graphene growth on the (111) surfaces of Cu and Ni, using multiscale approaches combining first-principles calculations and rate-equation analysis. We first show that the relatively weak graphene-Cu interaction enhances the lateral diffusion and effective nucleation of C atoms underneath the graphene island, thereby making it more feasible to grow bilayer graphene on Cu. In contrast,more » the stronger graphene-Ni interaction suppresses the lateral mobility and dimerization of C atoms underneath the graphene, making it unlikely to achieve controlled growth of bilayer graphene on Ni. We then determine the critical graphene size beyond which nucleation of the second layer will take place. Intriguingly, the critical size exhibits an effective inverse "Ehrlich-Schwoebel barrier" effect, becoming smaller for faster C migration from the Cu surface to the graphene-Cu interface sites across the graphene edge. Lastly, these findings allow us to propose a novel alternating growth scheme to realize mass production of bilayer graphene.« less

  17. New understanding of photocatalytic properties of zigzag and armchair g-C3N4 nanotubes from electronic structures and carrier effective mass

    NASA Astrophysics Data System (ADS)

    Liu, Jianjun; Cheng, Bei

    2018-02-01

    Low-dimensional g-C3N4 nanostructures own distinct electronic structure and remarkable photocatalytic properties, hence their wide application in the photocatalysis field. However, the correlations of structures and photoinduced carrier migrations with the photocatalytic properties of g-C3N4 nanostructures remain unclear. In this study, the geometrical and electronic structures and the photocatalytic properties of zigzag (n, 0) and armchair (n, n) g-C3N4 nanotubes (n = 6, 9, 12) were systematically investigated using hybrid DFT. Results indicated that the differences in geometrical structures of g-C3N4 nanotubes changed the band gaps and effective mass of carriers. Accordingly, the photocatalytic properties of g-C3N4 nanotubes also changed. Notably, the change trends of band gaps and the effective mass of the electrons and holes were the opposite for zigzag (n, 0) and armchair (n, n) g-C3N4 nanotubes. The absolute band edge potential of (n, 0) and (n, n) g-C3N4 nanotubes can split water for hydrogen production. These theoretical results revealed the correlations of structures and carrier effective mass with the photocatalytic properties of g-C3N4 nanotubes, and provided significant guidance for designing low-dimensional g-C3N4 nanostructures.

  18. Low-field magnetotransport in graphene cavity devices.

    PubMed

    Zhang, G Q; Kang, N; Li, J Y; Lin, Li; Peng, Hailin; Liu, Zhongfan; Xu, H Q

    2018-05-18

    Confinement and edge structures are known to play significant roles in the electronic and transport properties of two-dimensional materials. Here, we report on low-temperature magnetotransport measurements of lithographically patterned graphene cavity nanodevices. It is found that the evolution of the low-field magnetoconductance characteristics with varying carrier density exhibits different behaviors in graphene cavity and bulk graphene devices. In the graphene cavity devices, we observed that intravalley scattering becomes dominant as the Fermi level gets close to the Dirac point. We associate this enhanced intravalley scattering to the effect of charge inhomogeneities and edge disorder in the confined graphene nanostructures. We also observed that the dephasing rate of carriers in the cavity devices follows a parabolic temperature dependence, indicating that the direct Coulomb interaction scattering mechanism governs the dephasing at low temperatures. Our results demonstrate the importance of confinement in carrier transport in graphene nanostructure devices.

  19. Low-field magnetotransport in graphene cavity devices

    NASA Astrophysics Data System (ADS)

    Zhang, G. Q.; Kang, N.; Li, J. Y.; Lin, Li; Peng, Hailin; Liu, Zhongfan; Xu, H. Q.

    2018-05-01

    Confinement and edge structures are known to play significant roles in the electronic and transport properties of two-dimensional materials. Here, we report on low-temperature magnetotransport measurements of lithographically patterned graphene cavity nanodevices. It is found that the evolution of the low-field magnetoconductance characteristics with varying carrier density exhibits different behaviors in graphene cavity and bulk graphene devices. In the graphene cavity devices, we observed that intravalley scattering becomes dominant as the Fermi level gets close to the Dirac point. We associate this enhanced intravalley scattering to the effect of charge inhomogeneities and edge disorder in the confined graphene nanostructures. We also observed that the dephasing rate of carriers in the cavity devices follows a parabolic temperature dependence, indicating that the direct Coulomb interaction scattering mechanism governs the dephasing at low temperatures. Our results demonstrate the importance of confinement in carrier transport in graphene nanostructure devices.

  20. Landau level splitting due to graphene superlattices

    NASA Astrophysics Data System (ADS)

    Pal, G.; Apel, W.; Schweitzer, L.

    2012-06-01

    The Landau level spectrum of graphene superlattices is studied using a tight-binding approach. We consider noninteracting particles moving on a hexagonal lattice with an additional one-dimensional superlattice made up of periodic square potential barriers, which are oriented along the zigzag or along the armchair directions of graphene. In the presence of a perpendicular magnetic field, such systems can be described by a set of one-dimensional tight-binding equations, the Harper equations. The qualitative behavior of the energy spectrum with respect to the strength of the superlattice potential depends on the relation between the superlattice period and the magnetic length. When the potential barriers are oriented along the armchair direction of graphene, we find for strong magnetic fields that the zeroth Landau level of graphene splits into two well-separated sublevels, if the width of the barriers is smaller than the magnetic length. In this situation, which persists even in the presence of disorder, a plateau with zero Hall conductivity can be observed around the Dirac point. This Landau level splitting is a true lattice effect that cannot be obtained from the generally used continuum Dirac-fermion model.

  1. Structures and electronic states of halogen-terminated graphene nano-flakes

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto; Iyama, Tetsuji

    2015-12-01

    Halogen-functionalized graphenes are utilized as electronic devices and energy materials. In the present paper, the effects of halogen-termination of graphene edge on the structures and electronic states of graphene flakes have been investigated by means of density functional theory (DFT) method. It was found that the ionization potential (Ip) and electron affinity of graphene (EA) are blue-shifted by the halogen termination, while the excitation energy is red-shifted. The drastic change showed a possibility as electronic devices such as field-effect transistors. The change of electronic states caused by the halogen termination of graphene edge was discussed on the basis of the theoretical results.

  2. Bifurcations of edge states—topologically protected and non-protected—in continuous 2D honeycomb structures

    NASA Astrophysics Data System (ADS)

    Fefferman, C. L.; Lee-Thorp, J. P.; Weinstein, M. I.

    2016-03-01

    Edge states are time-harmonic solutions to energy-conserving wave equations, which are propagating parallel to a line-defect or ‘edge’ and are localized transverse to it. This paper summarizes and extends the authors’ work on the bifurcation of topologically protected edge states in continuous two-dimensional (2D) honeycomb structures. We consider a family of Schrödinger Hamiltonians consisting of a bulk honeycomb potential and a perturbing edge potential. The edge potential interpolates between two different periodic structures via a domain wall. We begin by reviewing our recent bifurcation theory of edge states for continuous 2D honeycomb structures (http://arxiv.org/abs/1506.06111). The topologically protected edge state bifurcation is seeded by the zero-energy eigenstate of a one-dimensional Dirac operator. We contrast these protected bifurcations with (more common) non-protected bifurcations from spectral band edges, which are induced by bound states of an effective Schrödinger operator. Numerical simulations for honeycomb structures of varying contrasts and ‘rational edges’ (zigzag, armchair and others), support the following scenario: (a) for low contrast, under a sign condition on a distinguished Fourier coefficient of the bulk honeycomb potential, there exist topologically protected edge states localized transverse to zigzag edges. Otherwise, and for general edges, we expect long lived edge quasi-modes which slowly leak energy into the bulk. (b) For an arbitrary rational edge, there is a threshold in the medium-contrast (depending on the choice of edge) above which there exist topologically protected edge states. In the special case of the armchair edge, there are two families of protected edge states; for each parallel quasimomentum (the quantum number associated with translation invariance) there are edge states which propagate in opposite directions along the armchair edge.

  3. Magnonic quantum spin Hall state in the zigzag and stripe phases of the antiferromagnetic honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Lee, Ki Hoon; Chung, Suk Bum; Park, Kisoo; Park, Je-Geun

    2018-05-01

    We investigated the topological property of magnon bands in the collinear magnetic orders of zigzag and stripe phases for the antiferromagnetic honeycomb lattice and identified Berry curvature and symmetry constraints on the magnon band structure. Different symmetries of both zigzag and stripe phases lead to different topological properties, in particular, the magnon bands of the stripe phase being disentangled with a finite Dzyaloshinskii-Moriya (DM) term with nonzero spin Chern number. This is corroborated by calculating the spin Nernst effect. Our study establishes the existence of a nontrivial magnon band topology for all observed collinear antiferromagnetic honeycomb lattices in the presence of the DM term.

  4. Functionalization of graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Genorio, Bostjan; Znidarsic, Andrej

    2014-03-01

    Graphene nanoribbon (GNR) is a recently discovered carbon allotrope, which can be described as a stripe of graphene. Pseudo-one-dimensionality exerts additional confinement on the electrons resulting in the formation of a band gap relevant for electronic devices. Due to distinct physical and chemical properties it is a promising material for several applications. To expand the range of potential applications and to improve processability, chemical functionalization of GNRs is required. This review aims to provide a concise and systematic coverage of recent work in chemical functionalization of GNRs. We will focus on longitudinal carbon nanotube unzipping, functionalization with aryl diazonium salts, non-covalent functionalization, bottom-up synthesis and one pot carbon nanotube unzipping with in situ edge functionalization.

  5. Edge Detection,

    DTIC Science & Technology

    1985-09-01

    PROJECT. T ASK0 Artificial Inteligence Laboratory AREA It WORK UNIT NUMBERS V 545 Technology Square ( Cambridge, HA 02139 I I* CONTOOL1LIN@4OFFICE NAME...ARD-A1t62 62 EDGE DETECTION(U) NASSACNUSETTS INST OF TECH CAMBRIDGE 1/1 ARTIFICIAL INTELLIGENCE LAB E C HILDRETH SEP 85 AI-M-8 N99SI4-8S-C-6595...used to carry out this analysis. cce~iO a N) ’.~" D LI’BL. P p ------------ Sj. t i MASSACHUSETTS INSTITUTE OF TECHNOLOGY i ARTIFICIAL INTELLIGENCE

  6. Aromatic graphene

    SciTech Connect

    Das, D. K., E-mail: gour.netai@gmail.com; Sahoo, S., E-mail: sukadevsahoo@yahoo.com

    2016-04-13

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  7. Effect of uniaxial stress on the electrochemical properties of graphene with point defects

    NASA Astrophysics Data System (ADS)

    Szroeder, Paweł; Sagalianov, Igor Yu.; Radchenko, Taras M.; Tatarenko, Valentyn A.; Prylutskyy, Yuriy I.; Strupiński, Włodzimierz

    2018-06-01

    We report a calculational study of electron states and the resulting electrochemical properties of uniaxially strained graphene with point defects. For this study the reduction of ferricyanide to ferrocyanide serves as a benchmark electrochemical reaction. We find that the heterogeneous electron transfer activity of the perfect graphene electrode rises under uniaxial strain. However, evolution of the cathodic reaction rate depends on the direction of strain. For moderate lattice deformations, the zigzag strain improves electrochemical performance better than the armchair strain. Standard rate constant increases by 50% at the zigzag strain of 10%. Vacancies, covalently bonded moieties, charged adatoms and substitutional impurities in the zigzag strained graphene induce changes in the shape of the curve of the cathodic reaction rate. However, this changes do not translate into the electrocatalytic activity. Vacancies and covalently bonded moieties at concentration of 0.1% do not affect the electrochemical performance. Charged adatoms and substitutional impurities give a slight increase in the standard rate constant by, respectively, 2.2% and 3.4%.

  8. Graphene Nanoribbons Fabricated by Helium Ion microscope

    NASA Astrophysics Data System (ADS)

    Pickard, D.; Oezyilmaz, B.; Thong, J.; Loh, K. P.; Viswanathan, V.; Zhongkai, A.; Mathew, S.; Kundu, T.; Park, C.; Yi, Z.; Xu, X.; Zhang, K.; Tat, T. C.; Wang, H.; Venkatesan, T.; Botton, G.; Couillard, M.

    2010-03-01

    Graphene, a monolayer graphitic lattice of carbon atoms has tremendous promise for a variety of applications on account of the zero mass of electrons, high mobility and the sensitivity of transport to perturbations at the interface. Patterning graphene is an obvious challenge and mesoscopic devices based on graphene require high spatial resolution patterning that will induce as little damage as possible. We use a helium ion microscope with its 0.4nm spot size beam to directly write patterns on free standing graphene films. TEM images of the patterns reveal holes as small as 4 nm and ribbons with line widths as narrow as 3 nm. The images show recovery of the graphene lattice at a distance of about a nm from the patterned edge. The linewidths of the ribbon can be varied considerably in a controllable fashion over ribbon lengths of the order of microns. . .

  9. Edge detection

    NASA Astrophysics Data System (ADS)

    Hildreth, E. C.

    1985-09-01

    For both biological systems and machines, vision begins with a large and unwieldly array of measurements of the amount of light reflected from surfaces in the environment. The goal of vision is to recover physical properties of objects in the scene such as the location of object boundaries and the structure, color and texture of object surfaces, from the two-dimensional image that is projected onto the eye or camera. This goal is not achieved in a single step: vision proceeds in stages, with each stage producing increasingly more useful descriptions of the image and then the scene. The first clues about the physical properties of the scene are provided by the changes of intensity in the image. The importance of intensity changes and edges in early visual processing has led to extensive research on their detection, description and use, both in computer and biological vision systems. This article reviews some of the theory that underlies the detection of edges, and the methods used to carry out this analysis.

  10. Theory of nitrogen doping of carbon nanoribbons: Edge effects

    DOE PAGES

    Jiang, Jie; Turnbull, Joseph; Lu, Wenchang; ...

    2012-01-01

    Nitrogen doping of a carbon nanoribbon is profoundly affected by its one-dimensional character, symmetry, and interaction with edge states. Using state-of-the-art ab initio calculations, including hybrid exact-exchange density functional theory, we find that, for N-doped zigzag ribbons, the electronic properties are strongly dependent upon sublattice effects due to the non-equivalence of the two sublattices. For armchair ribbons, N-doping effects are different depending upon the ribbon family: for families 2 and 0, the N-induced levels are in the conduction band, while for family 1 the N levels are in the gap. In zigzag nanoribbons, nitrogen close to the edge is amore » deep center, while in armchair nanoribbons its behavior is close to an effective-mass-like donor with the ionization energy dependent on the value of the band gap. In chiral nanoribbons, we find strong dependence of the impurity level and formation energy upon the edge position of the dopant, while such site-specificity is not manifested in the magnitude of the magnetization.« less

  11. Graphene and its elemental analogue: A molecular dynamics view of fracture phenomenon

    NASA Astrophysics Data System (ADS)

    Rakib, Tawfiqur; Mojumder, Satyajit; Das, Sourav; Saha, Sourav; Motalab, Mohammad

    2017-06-01

    Graphene and some graphene like two dimensional materials; hexagonal boron nitride (hBN) and silicene have unique mechanical properties which severely limit the suitability of conventional theories used for common brittle and ductile materials to predict the fracture response of these materials. This study revealed the fracture response of graphene, hBN and silicene nanosheets under different tiny crack lengths by molecular dynamics (MD) simulations using LAMMPS. The useful strength of these two dimensional materials are determined by their fracture toughness. Our study shows a comparative analysis of mechanical properties among the elemental analogues of graphene and suggested that hBN can be a good substitute for graphene in terms of mechanical properties. We have also found that the pre-cracked sheets fail in brittle manner and their failure is governed by the strength of the atomic bonds at the crack tip. The MD prediction of fracture toughness shows significant difference with the fracture toughness determined by Griffth's theory of brittle failure which restricts the applicability of Griffith's criterion for these materials in case of nano-cracks. Moreover, the strengths measured in armchair and zigzag directions of nanosheets of these materials implied that the bonds in armchair direction have the stronger capability to resist crack propagation compared to zigzag direction.

  12. Effects of Edge on-Site Potential in a Honeycomb Topological Magnon Insulator

    NASA Astrophysics Data System (ADS)

    Pantaleón, Pierre A.; Xian, Yang

    2018-06-01

    While the deviation of the edge on-site potential from the bulk values in a magnonic topological honeycomb lattice leads to the formation of edge states in a bearded boundary, this is not the case for a zigzag termination, where no edge state is found. In a semi-infinite lattice, the intrinsic on-site interactions along the boundary sites generate an effective defect and this gives rise to Tamm-like edge states. If a nontrivial gap is induced, both Tamm-like and topologically protected edge states appear in the band structure. The effective defect can be strengthened by an external on-site potential, and the dispersion relation, velocity and magnon density of the edge states all become tunable.

  13. Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide.

    PubMed

    Zhang, Xinyu; Qin, Jiaqian; Liu, Hanyu; Zhang, Shiliang; Ma, Mingzhen; Luo, Wei; Liu, Riping; Ahuja, Rajeev

    2015-03-04

    We report on the prediction of the zinc-blende structure BP into a novel C2/m phase from 113 to 208 GPa which possesses zigzag phosphorus chain structure, followed by another P42/mnm structure above 208 GPa above using the particle-swarm search method. Strong electron-phonon coupling λ in compressed BP is found, in particular for C2/m phase with the zigzag phosphorus chain, which has the highest λ (0.56-0.61) value among them, leading to its high superconducting critical temperature Tc (9.4 K-11.5 K), which is comparable with the 4.5 K to 13 K value of black phosphorus phase I (orthorhombic, Cmca). This is the first system in the boron phosphides which shows superconductivity from the present theoretical calculations. Our results show that pressure-induced zigzag phosphorus chain in BP exhibit higher superconducting temperature TC, opening a new route to search and design new superconductor materials with zigzag phosphorus chains.

  14. Synthesis and characterization of silver nanowires with zigzag morphology in N, N-dimethylformamide

    NASA Astrophysics Data System (ADS)

    He, Xin; Zhao, Xiujian; Chen, Yunxia; Feng, Jinyang; Sun, Zhenya

    2007-08-01

    Zigzag silver nanowires with a uniform diameter of 20±5 nm were prepared by reducing silver nitrate (AgNO 3) with N, N-dimethylformamide (DMF) in the presence of tetrabutyl titanate (TBT) and acetylacetone (AcAc) at 373 K for 18 h. X-ray and selected area electron diffraction (XRD and SAED) patterns reveal that the prepared product is made of pure silver with face centered cubic structure. Transmission electron microscopy (TEM) investigations suggest that the amount of silver nanowires is enhanced with increase in reaction time, and the end-to-end assemblies of silver nanorods are observed during the reaction process. After 18 h reaction, silver nanowires with zigzag morphology are obtained. In this paper, a possible growth process of silver nanowires with this interesting shape is described. Silver nanoparticles with small sizes were obtained by reducing Ag + ions with DMF, providing seeds for homogeneous growth of silver nanorods. With the extending reaction time, the synthesized silver nanorods were connected in an end-to-end manner, and the interface between the connections of two nanorods gradually disappeared. The final product shows zigzag morphology with various angles. The angles between two connecting straight parts of zigzag nanowires exhibit an alterable range of 74-151°. These silver nanowires show tremendous potential applications in future nanoscale electronic circuits.

  15. Graphene in ohmic contact for both n-GaN and p-GaN

    SciTech Connect

    Zhong, Haijian; Liu, Zhenghui; Shi, Lin

    The wrinkles of single layer graphene contacted with either n-GaN or p-GaN were found both forming ohmic contacts investigated by conductive atomic force microscopy. The local I–V results show that some of the graphene wrinkles act as high-conductive channels and exhibiting ohmic behaviors compared with the flat regions with Schottky characteristics. We have studied the effects of the graphene wrinkles using density-functional-theory calculations. It is found that the standing and folded wrinkles with zigzag or armchair directions have a tendency to decrease or increase the local work function, respectively, pushing the local Fermi level towards n- or p-type GaN andmore » thus improving the transport properties. These results can benefit recent topical researches and applications for graphene as electrode material integrated in various semiconductor devices.« less

  16. Quantum interference in DNA bases probed by graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Jeong, Heejeong; Seul Kim, Han; Lee, Sung-Hoon; Lee, Dongho; Hoon Kim, Yong; Huh, Nam

    2013-07-01

    Based on first-principles nonequilibrium Green's function calculations, we demonstrate quantum interference (QI) effects on the tunneling conductance of deoxyribonucleic acid bases placed between zigzag graphene nanoribbon electrodes. With the analogy of QI in hydrocarbon ring structures, we hypothesize that QI can be well preserved in the π-π coupling between the carbon-based electrode and a single DNA base. We demonstrate indications of QI, such as destructively interfered anti-resonance or Fano-resonance, that affect the variation of tunneling conductance depending on the orientation of a base. We find that guanine, with a 10-fold higher transverse conductance, can be singled out from the other bases.

  17. Strain-Induced Pseudomagnetic Fields in Twisted Graphene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Zhang, Dong-Bo; Seifert, Gotthard; Chang, Kai

    2014-03-01

    We present, for the first time, an atomic-level and quantitative study of a strain-induced pseudomagnetic field in graphene nanoribbons with widths of hundreds of nanometers. We show that twisting strongly affects the band structures of graphene nanoribbons with arbitrary chirality and generates well-defined pseudo-Landau levels, which mimics the quantization of massive Dirac fermions in a magnetic field up to 160 T. Electrons are localized either at ribbon edges forming the edge current or at the ribbon center forming the snake orbit current, both being valley polarized. Our result paves the way for the design of new graphene-based nanoelectronics.

  18. Crystal Growth of Graphene Films and Graphene Nanoribbons via Chemical Vapor Deposition

    NASA Astrophysics Data System (ADS)

    Jacobberger, Robert Michael

    Graphene is a two-dimensional carbon allotrope that has exceptional properties, including high charge carrier mobility, thermal conductivity, mechanical strength, and flexibility. Graphene is a semimetal, prohibiting its use in semiconductor applications in which a bandgap is required. However, graphene can be transformed from a semimetal into a semiconductor if it is confined into one-dimensional nanoribbons narrower than 10 nm with well-defined armchair edges. In this work, we study the crystal growth of graphene via chemical vapor deposition (CVD), which is the most promising method to produce graphene films on the industrial scale. We explore the growth of isolated graphene crystals, continuous graphene films, and narrow graphene nanoribbons with armchair edges. We gain key insight into the critical growth parameters and mechanisms that influence the crystal morphology, orientation, defect density, and evolution, providing an empirical understanding of the diverse growth behaviors observed in literature. Using this knowledge, we synthesize graphene with remarkably low pinhole density and achieve high-quality graphene at 750 °C on Cu(111), which is over 250 °C lower than the temperature typically used to grow graphene on copper from methane. We also describe our breakthrough in graphene nanoribbon synthesis. Highly anisotropic nanoribbons are formed on Ge(001) if an exceptionally slow growth rate is used. The nanoribbons are self-defining with predominantly smooth armchair edges, are self-aligning, and have tunable width to < 10 nm. High-performance field-effect transistors incorporating these nanoribbons as channels display high conductance modulation > 10,000 and high conductance > 5 muS. This directional and anisotropic growth enables the fabrication of semiconducting nanoribbons directly on conventional semiconductor wafers and, thus, promises to allow the integration of nanoribbons into future hybrid integrated circuits. We additionally report our

  19. The Edge

    NASA Technical Reports Server (NTRS)

    2006-01-01

    6 April 2006 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows the edge (running diagonally from the lower left to the upper right) of a trough, which is part of a large pit crater complex in Noachis Terra. This type of trough forms through the collapse of surface materials into the subsurface, and often begins as a series of individual pit craters. Over time, continued collapse increases the diameter of individual pits until finally, adjacent pits merge to form a trough such as the one captured in this image. The deep shadowed area is caused in part by an overhang; layered rock beneath this overhang is less resistant to erosion, and thus has retreated tens of meters backward, beneath the overhang. A person could walk up inside this 'cave' formed by the overhanging layered material.

    Location near: 47.0oS, 355.7oW Image width: 3 km (1.9 mi) Illumination from: upper left Season: Southern Summer

  20. Superlubricating graphene and graphene oxide films

    SciTech Connect

    Sumant, Anirudha V.; Erdemir, Ali; Choi, Junho

    A system and method for forming at least one of graphene and graphene oxide on a substrate and an opposed wear member. The system includes graphene and graphene oxide formed by an exfoliation process or solution processing method to dispose graphene and/or graphene oxide onto a substrate. The system further includes an opposing wear member disposed on another substrate and a gas atmosphere of an inert gas like N2, ambient, a humid atmosphere and a water solution.

  1. Shear Strength of Square Graphene Nanoribbons beyond Wrinkling

    NASA Astrophysics Data System (ADS)

    Ragab, Tarek; Basaran, Cemal

    2018-04-01

    Atomistic modeling of armchair and zigzag graphene nanoribbons (GNRs) has been performed to investigate the post-wrinkling behavior under in-plane (x-y) shear deformation. Simulations were performed at 300 K for square GNRs with size ranging from 2.5 nm to 20 nm. Shear stresses led only to diagonal tension, and wrinkling was not accompanied by any diagonal compressive force. Once the diagonal tension reached its ultimate elastic level, three major stress-relaxing phenomena were observed. The type of stress-relaxing phenomenon involved greatly affected the mechanical behavior in terms of the slope of the stress-strain diagram beyond the elastic range. The results showed that the average slope of the stress-strain relation beyond the ultimate elastic stress decreased with the increase of the GNR size. Moreover, the slope of the shear stress-strain curve beyond the ultimate elastic stress was always greater for armchair than for zigzag GNRs. GNRs can sustain very high plastic shear strains beyond 100% before failure. The ultimate elastic stress can range from 20 GPa to 50 GPa, occurring at shear strain ranging from 52% to 19%. The ultimate elastic stress and strain were inversely proportional to the size of the GNR with a power factor ranging from 0.261 for armchair GNRs to 0.354 for zigzag GNRs due to the decrease in the effective width for diagonal tension.

  2. Shear Strength of Square Graphene Nanoribbons beyond Wrinkling

    NASA Astrophysics Data System (ADS)

    Ragab, Tarek; Basaran, Cemal

    2018-07-01

    Atomistic modeling of armchair and zigzag graphene nanoribbons (GNRs) has been performed to investigate the post-wrinkling behavior under in-plane ( x- y) shear deformation. Simulations were performed at 300 K for square GNRs with size ranging from 2.5 nm to 20 nm. Shear stresses led only to diagonal tension, and wrinkling was not accompanied by any diagonal compressive force. Once the diagonal tension reached its ultimate elastic level, three major stress-relaxing phenomena were observed. The type of stress-relaxing phenomenon involved greatly affected the mechanical behavior in terms of the slope of the stress-strain diagram beyond the elastic range. The results showed that the average slope of the stress-strain relation beyond the ultimate elastic stress decreased with the increase of the GNR size. Moreover, the slope of the shear stress-strain curve beyond the ultimate elastic stress was always greater for armchair than for zigzag GNRs. GNRs can sustain very high plastic shear strains beyond 100% before failure. The ultimate elastic stress can range from 20 GPa to 50 GPa, occurring at shear strain ranging from 52% to 19%. The ultimate elastic stress and strain were inversely proportional to the size of the GNR with a power factor ranging from 0.261 for armchair GNRs to 0.354 for zigzag GNRs due to the decrease in the effective width for diagonal tension.

  3. Unified EDGE

    SciTech Connect

    2007-06-18

    UEDGE is an interactive suite of physics packages using the Python or BASIS scripting systems. The plasma is described by time-dependent 2D plasma fluid equations that include equations for density, velocity, ion temperature, electron temperature, electrostatic potential, and gas density in the edge region of a magnetic fusion energy confinement device. Slab, cylindrical, and toroidal geometries are allowed, and closed and open magnetic field-line regions are included. Classical transport is assumed along magnetic field lines, and anomalous transport is assumed across field lines. Multi-charge state impurities can be included with the corresponding line-radiation energy loss. Although UEDGE is written inmore » Fortran, for efficient execution and analysis of results, it utilizes either Python or BASIS scripting shells. Python is easily available for many platforms (http://www.Python.org/). The features and availability of BASIS are described in "Basis Manual Set" by P.F. Dubois, Z.C. Motteler, et al., Lawrence Livermore National Laboratory report UCRL-MA-1 18541, June, 2002 and http://basis.llnl.gov. BASIS has been reviewed and released by LLNL for unlimited distribution. The Python version utilizes PYBASIS scripts developed by D.P. Grote, LLNL. The Python version also uses MPPL code and MAC Perl script, available from the public-domain BASIS source above. The Forthon version of UEDGE uses the same source files, but utilizes Forthon to produce a Python-compatible source. Forthon has been developed by D.P. Grote at LBL (see http://hifweb.lbl.gov/Forthon/ and Grote et al. in the references below), and it is freely available. The graphics can be performed by any package importable to Python, such as PYGIST.« less

  4. FAST TRACK COMMUNICATION: Electronic structure of a graphene/hexagonal-BN heterostructure grown on Ru(0001) by chemical vapor deposition and atomic layer deposition: extrinsically doped graphene

    NASA Astrophysics Data System (ADS)

    Bjelkevig, Cameron; Mi, Zhou; Xiao, Jie; Dowben, P. A.; Wang, Lu; Mei, Wai-Ning; Kelber, Jeffry A.

    2010-08-01

    A significant BN-to-graphene charge donation is evident in the electronic structure of a graphene/h-BN(0001) heterojunction grown by chemical vapor deposition and atomic layer deposition directly on Ru(0001), consistent with density functional theory. This filling of the lowest unoccupied state near the Brillouin zone center has been characterized by combined photoemission/k vector resolved inverse photoemission spectroscopies, and Raman and scanning tunneling microscopy/spectroscopy. The unoccupied σ*(Γ1 +) band dispersion yields an effective mass of 0.05 me for graphene in the graphene/h-BN(0001) heterostructure, in spite of strong perturbations to the graphene conduction band edge placement.

  5. Vanishing Thermal Conductance of Carbon Nanotube upon Encapsulation by Zigzag Sulfur Chain.

    PubMed

    Koley, Sayantanu; Sen, Sabyasachi; Chakrabarti, Swapan

    2018-06-07

    We report an unprecedented enhancement of thermoelectric properties of a single-walled carbon nanotube upon encapsulation of a zigzag sulfur chain inside the nanocore. Our calculations on a 70 Å long [5, 5] carbon nanotube reveal that the encapsulation of zigzag sulfur chain will lead to a 10 7 % increase in the thermoelectric figure of merit and concomitant quenching of thermal conductance by 90%. We have noticed that finite transmission gradient at the Fermi level combined with destructive quantum interference at the sulfur sites and structural conformation-dependent scattering-induced damping of phonon transmission are attributed to the dramatic improvement of thermoelectric behavior of this material. This finding indeed will help circumvent the long-standing problem in the fabrication of carbon-nanotube-based ultrafast device.

  6. Study of structural and optical properties of ZnS zigzag nanostructured thin films

    NASA Astrophysics Data System (ADS)

    Rahchamani, Seyyed Zabihollah; Rezagholipour Dizaji, Hamid; Ehsani, Mohammad Hossein

    2015-11-01

    Zinc sulfide (ZnS) nanostructured thin films of different thicknesses with zigzag shapes have been deposited on glass substrates by glancing angle deposition (GLAD) technique. Employing a homemade accessory attached to the substrate holder enabled the authors to control the substrate temperature and substrate angle. The prepared samples were subjected to X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), atomic force microscopy (AFM) and UV-VIS. spectroscopy techniques. The structural studies revealed that the film deposited at room temperature crystallized in cubic structure. The FESEM images of the samples confirmed the formation of zigzag nano-columnar shape with mean diameter about 60-80 nm. By using the data obtained from optical studies, the real part of the refractive index (n), the absorption coefficient (α) and the band gap (Eg) of the samples were calculated. The results show that the refractive indices of the prepared films are very sensitive to deposition conditions.

  7. Polypyrrole polyvinylidene difluoride composite stripe and zigzag actuators for use in facial robotics

    NASA Astrophysics Data System (ADS)

    Tadesse, Yonas; Priya, Shashank; Ramannair Chenthamarakshan, C.; de Tacconi, Norma R.; Rajeshwar, Krishnan

    2008-04-01

    Composite stripe and zigzag actuators consisting of a sandwich polypyrrole (PPy)/polyvinylidene difluoride (PVDF)/PPy structure were synthesized using potentiodynamic film growth on gold electrodes. The synthesis was done from an aqueous solution containing tetrabutylammonium perchlorate and pyrrole by polymerization at room temperature. The actuator displacement was modeled using finite element simulations. For depositing thin PPy films and thereby minimizing the response time, experimental optimization of the deposition conditions was performed. The number of current-potential (potentiodynamic) growth cycles and the thickness of the deposited PPy film were highly correlated in the initial stages of polymer film growth. The actuation response measurements indicate that the zigzag shaped actuators provide promising properties to develop artificial muscle.

  8. Which nanowire couples better electrically to a metal contact: Armchair or zigzag nanotube?

    NASA Technical Reports Server (NTRS)

    Anantram, M. P.; Biegel, Bryan (Technical Monitor)

    2001-01-01

    The fundamental question of how chirality affects tile electronic coupling of a nanotube to metal contacts is important for tile application of nanotubes as nanowires. We show that metallic-zigzag nanotubes are superior to armchair nanotubes as nanowires, by modeling the metal-nanotube interface. More specifically, we show that as a function of coupling strength, the total electron transmission of armchair nanotubes increases and tends to be pinned close to unity for a metal with Fermi wave vector close to that of gold. In contrast, the transmission probability of zigzag nanotubes increases to the maximum possible value of two. The origin of these effects lies in the details of the wave function, which is explained.

  9. Zigzagging causility model of EPR correlations and on the interpretation of quantum mechanics

    SciTech Connect

    de Beauregard, O.C.

    1988-09-01

    Being formalized inside the S-matrix scheme, the zigzagging causility model of EPR correlations has full Lorentz and CPT invariance. EPR correlations, proper or reversed, and Wheeler's smoky dragon metaphor are respectively pictured in a spacetime or in the momentum-energy space, as V-shaped, anti LAMBDA-shaped, or C-shaped ABC zigzags, with a summation at B over virtual states absolute value B>=*. The reversibility = * implies that causality is CPT-invariant, or arrowless, at the microlevel. Arrowed causality is a macroscopic emergence, corollary to wave retardation and probability increase. Factlike irreversibility states repression, not suppression, of blind statistical retrodiction- that is, of finalmore » cause.« less

  10. Action-derived molecular dynamics simulations for the migration and coalescence of vacancies in graphene and carbon nanotubes.

    PubMed

    Lee, Alex Taekyung; Ryu, Byungki; Lee, In-Ho; Chang, K J

    2014-03-19

    We report the results of action-derived molecular dynamics simulations for the migration and coalescence processes of monovacancies in graphene and carbon nanotubes with different chiralities. In carbon nanotubes, the migration pathways and barriers of a monovacancy depend on the tube chirality, while there is no preferential pathway in graphene due to the lattice symmetry and the absence of the curvature effect. The probable pathway changes from the axial to circumferential direction as the chirality varies from armchair to zigzag. The chirality dependence is attributed to the preferential orientation of the reconstructed bond formed around each vacancy site. It is energetically more favourable for two monovacancies to coalesce into a divacancy via alternative movements rather than simultaneous movements. The energy barriers for coalescence are generally determined by the migration barrier for the monovacancy, although there are some variations due to interactions between two diffusing vacancies. In graphene and armchair nanotubes, two monovacancies prefer to migrate along different zigzag atomic chains rather than a single atomic chain connecting these vacancies. On the other hand, in zigzag tubes, the energy barrier for coalescence increases significantly unless monovacancies lie on the same circumference.

  11. Rebar Graphene

    PubMed Central

    2015-01-01

    As the cylindrical sp2-bonded carbon allotrope, carbon nanotubes (CNTs) have been widely used to reinforce bulk materials such as polymers, ceramics, and metals. However, both the concept demonstration and the fundamental understanding on how 1D CNTs reinforce atomically thin 2D layered materials, such as graphene, are still absent. Here, we demonstrate the successful synthesis of CNT-toughened graphene by simply annealing functionalized CNTs on Cu foils without needing to introduce extraneous carbon sources. The CNTs act as reinforcing bar (rebar), toughening the graphene through both π–π stacking domains and covalent bonding where the CNTs partially unzip and form a seamless 2D conjoined hybrid as revealed by aberration-corrected scanning transmission electron microscopy analysis. This is termed rebar graphene. Rebar graphene can be free-standing on water and transferred onto target substrates without needing a polymer-coating due to the rebar effects of the CNTs. The utility of rebar graphene sheets as flexible all-carbon transparent electrodes is demonstrated. The in-plane marriage of 1D nanotubes and 2D layered materials might herald an electrical and mechanical union that extends beyond carbon chemistry. PMID:24694285

  12. Epitaxial graphene

    NASA Astrophysics Data System (ADS)

    de Heer, Walt A.; Berger, Claire; Wu, Xiaosong; First, Phillip N.; Conrad, Edward H.; Li, Xuebin; Li, Tianbo; Sprinkle, Michael; Hass, Joanna; Sadowski, Marcin L.; Potemski, Marek; Martinez, Gérard

    2007-07-01

    Graphene multilayers are grown epitaxially on single crystal silicon carbide. This system is composed of several graphene layers of which the first layer is electron doped due to the built-in electric field and the other layers are essentially undoped. Unlike graphite the charge carriers show Dirac particle properties (i.e. an anomalous Berry's phase, weak anti-localization and square root field dependence of the Landau level energies). Epitaxial graphene shows quasi-ballistic transport and long coherence lengths; properties that may persist above cryogenic temperatures. Paradoxically, in contrast to exfoliated graphene, the quantum Hall effect is not observed in high-mobility epitaxial graphene. It appears that the effect is suppressed due to the absence of localized states in the bulk of the material. Epitaxial graphene can be patterned using standard lithography methods and characterized using a wide array of techniques. These favorable features indicate that interconnected room temperature ballistic devices may be feasible for low-dissipation high-speed nanoelectronics.

  13. Quantum confinement-induced tunable exciton states in graphene oxide.

    PubMed

    Lee, Dongwook; Seo, Jiwon; Zhu, Xi; Lee, Jiyoul; Shin, Hyeon-Jin; Cole, Jacqueline M; Shin, Taeho; Lee, Jaichan; Lee, Hangil; Su, Haibin

    2013-01-01

    Graphene oxide has recently been considered to be a potential replacement for cadmium-based quantum dots due to its expected high fluorescence. Although previously reported, the origin of the luminescence in graphene oxide is still controversial. Here, we report the presence of core/valence excitons in graphene-based materials, a basic ingredient for optical devices, induced by quantum confinement. Electron confinement in the unreacted graphitic regions of graphene oxide was probed by high resolution X-ray absorption near edge structure spectroscopy and first-principles calculations. Using experiments and simulations, we were able to tune the core/valence exciton energy by manipulating the size of graphitic regions through the degree of oxidation. The binding energy of an exciton in highly oxidized graphene oxide is similar to that in organic electroluminescent materials. These results open the possibility of graphene oxide-based optoelectronic device technology.

  14. Raman Spectral Band Oscillations in Large Graphene Bubbles

    NASA Astrophysics Data System (ADS)

    Huang, Yuan; Wang, Xiao; Zhang, Xu; Chen, Xianjue; Li, Baowen; Wang, Bin; Huang, Ming; Zhu, Chongyang; Zhang, Xuewei; Bacsa, Wolfgang S.; Ding, Feng; Ruoff, Rodney S.

    2018-05-01

    Raman spectra of large graphene bubbles showed size-dependent oscillations in spectral intensity and frequency, which originate from optical standing waves formed in the vicinity of the graphene surface. At a high laser power, local heating can lead to oscillations in the Raman frequency and also create a temperature gradient in the bubble. Based on Raman data, the temperature distribution within the graphene bubble was calculated, and it is shown that the heating effect of the laser is reduced when moving from the center of a bubble to its edge. By studying graphene bubbles, both the thermal conductivity and chemical reactivity of graphene were assessed. When exposed to hydrogen plasma, areas with bubbles are found to be more reactive than flat graphene.

  15. Quantum confinement-induced tunable exciton states in graphene oxide

    PubMed Central

    Lee, Dongwook; Seo, Jiwon; Zhu, Xi; Lee, Jiyoul; Shin, Hyeon-Jin; Cole, Jacqueline M.; Shin, Taeho; Lee, Jaichan; Lee, Hangil; Su, Haibin

    2013-01-01

    Graphene oxide has recently been considered to be a potential replacement for cadmium-based quantum dots due to its expected high fluorescence. Although previously reported, the origin of the luminescence in graphene oxide is still controversial. Here, we report the presence of core/valence excitons in graphene-based materials, a basic ingredient for optical devices, induced by quantum confinement. Electron confinement in the unreacted graphitic regions of graphene oxide was probed by high resolution X-ray absorption near edge structure spectroscopy and first-principles calculations. Using experiments and simulations, we were able to tune the core/valence exciton energy by manipulating the size of graphitic regions through the degree of oxidation. The binding energy of an exciton in highly oxidized graphene oxide is similar to that in organic electroluminescent materials. These results open the possibility of graphene oxide-based optoelectronic device technology. PMID:23872608

  16. High power tube solid-state laser with zigzag propagation of pump and laser beam

    NASA Astrophysics Data System (ADS)

    Savich, Michael

    2015-02-01

    A novel resonator and pumping design with zigzag propagation of pumping and laser beams permits to design an improved tube Solid State Laser (SSL), solving the problem of short absorption path to produce a high power laser beam (100 - 1000kW). The novel design provides an amplifier module and laser oscillator. The tube-shaped SSL includes a gain element fiber-optically coupled to a pumping source. The fiber optic coupling facilitates light entry at compound Brewster's angle of incidence into the laser gain element and uses internal reflection to follow a "zigzag" path in a generally spiral direction along the length of the tube. Optics are arranged for zigzag propagation of the laser beam, while the cryogenic cooling system is traditional. The novel method of lasing uses advantages of cylindrical geometry to reach the high volume of gain medium with compactness and structural rigidity, attain high pump density and uniformity, and reach a low threshold without excessive increase of the temperature of the crystal. The design minimizes thermal lensing and stress effects, and provides high gain amplification, high power extraction from lasing medium, high pumping and lasing efficiency and a high beam quality.

  17. A distributed parameter electromechanical model for bimorph piezoelectric energy harvesters based on the refined zigzag theory

    NASA Astrophysics Data System (ADS)

    Chen, Chung-De

    2018-04-01

    In this paper, a distributed parameter electromechanical model for bimorph piezoelectric energy harvesters based on the refined zigzag theory (RZT) is developed. In this model, the zigzag function is incorporated into the axial displacement, and the zigzag distribution of the displacement between the adjacent layers of the bimorph structure can be considered. The governing equations, including three equations of motions and one equation of circuit, are derived using Hamilton’s principle. The natural frequency, its corresponding modal function and the steady state response of the base excitation motion are given in exact forms. The presented results are benchmarked with the finite element method and two beam theories, the first-order shear deformation theory and the classical beam theory. Comparing examples shows that the RZT provides predictions of output voltage and generated power at high accuracy, especially for the case of a soft middle layer. Variation of the parameters, such as the beam thickness, excitation frequencies and the external electrical loads, is investigated and its effects on the performance of the energy harvesters are studied by using the RZT developed in this paper. Based on this refined theory, analysts and engineers can capture more details on the electromechanical behavior of piezoelectric harvesters.

  18. Refinement of Timoshenko Beam Theory for Composite and Sandwich Beams Using Zigzag Kinematics

    NASA Technical Reports Server (NTRS)

    Tessler, Alexander; DiSciuva, Marco; Gherlone, Marco

    2007-01-01

    A new refined theory for laminated-composite and sandwich beams that contains the kinematics of the Timoshenko Beam Theory as a proper baseline subset is presented. This variationally consistent theory is derived from the virtual work principle and employs a novel piecewise linear zigzag function that provides a more realistic representation of the deformation states of transverse shear flexible beams than other similar theories. This new zigzag function is unique in that it vanishes at the top and bottom bounding surfaces of a beam. The formulation does not enforce continuity of the transverse shear stress across the beam s cross-section, yet is robust. Two major shortcomings that are inherent in the previous zigzag theories, shear-force inconsistency and difficulties in simulating clamped boundary conditions, and that have greatly limited the utility of these previous theories are discussed in detail. An approach that has successfully resolved these shortcomings is presented herein. This new theory can be readily extended to plate and shell structures, and should be useful for obtaining accurate estimates of structural response of laminated composites.

  19. Liquid phase exfoliated graphene for electronic applications

    NASA Astrophysics Data System (ADS)

    Sukumaran, Sheena S.; Jinesh, K. B.; Gopchandran, K. G.

    2017-09-01

    Graphene dispersions were prepared using the liquid phase exfoliation method with three different surfactants. One surfactant was used from each of the surfactant types, anionic, cationic, and non-ionic; those used, were sodium dodecylbenzene sulfonate (SDBS), cetyltrimethylammonium bromide (CTAB) and polyvinylpyrrolidone (PVP), respectively. Raman spectroscopy was used to investigate the number of layers and the nature of any defects present in the exfoliated graphene. The yield of graphene was found to be less with the non-ionic surfactant, PVP. The deconvolution of 2D peaks at ~2700 cm-1 indicated that graphene prepared using these surfactants resulted in sheets consisting of few-layer graphene. The ratio of intensity of the D and G bands in the Raman spectra showed that edge defect density is high for samples prepared with SDBS compared to the other two, and is attributed to the smaller size of the graphene sheets, as shown in the electron micrographs. In the case of the dispersion in PVP, it is found that the sizes of the graphene sheets are highly sensitive to the concentration of the surfactant used. Here, we have made an attempt to investigate the local density of states in the graphene sheets by measuring the tunnelling current-voltage characteristics. Graphene layers have shown consistent p-type behaviour when exfoliated with SDBS and n-type behaviour when exfoliated with CTAB, with a larger band gap for graphene exfoliated using CTAB. Hence, in addition to the known advantages of liquid phase exfoliation, we found that by selecting suitable surfactants, to a certain extent it is possible to tune the band gap and determine the type of majority carriers.

  20. NLL-Assisted Multilayer Graphene Patterning

    PubMed Central

    2018-01-01

    The range of applications of diverse graphene-based devices could be limited by insufficient surface reactivity, unsatisfied shaping, or null energy gap of graphene. Engineering the graphene structure by laser techniques can adjust the transport properties and the surface area of graphene, providing devices of different nature with a higher capacitance. Additionally, the created periodic potential and appearance of the active external/inner/edge surface centers determine the multifunctionality of the graphene surface and corresponding devices. Here, we report on the first implementation of nonlinear laser lithography (NLL) for multilayer graphene (MLG) structuring, which offers a low-cost, single-step, and high-speed nanofabrication process. The NLL relies on the employment of a high repetition rate femtosecond Yb fiber laser that provides generation of highly reproducible, robust, uniform, and periodic nanostructures over a large surface area (1 cm2/15 s). NLL allows one to obtain clearly predesigned patterned graphene structures without fabrication tolerances, which are caused by contacting mask contamination, polymer residuals, and direct laser exposure of the graphene layers. We represent regularly patterned MLG (p-MLG) obtained by the chemical vapor deposition method on an NLL-structured Ni foil. We also demonstrate tuning of chemical (wettability) and electro-optical (transmittance and sheet resistance) properties of p-MLG by laser power adjustments. In conclusion, we show the great promise of fabricated devices, namely, supercapacitors, and Li-ion batteries by using NLL-assisted graphene patterning. Our approach demonstrates a new avenue to pattern graphene for multifunctional device engineering in optics, photonics, and bioelectronics. PMID:29503971

  1. NLL-Assisted Multilayer Graphene Patterning.

    PubMed

    Kovalska, Evgeniya; Pavlov, Ihor; Deminskyi, Petro; Baldycheva, Anna; Ilday, F Ömer; Kocabas, Coskun

    2018-02-28

    The range of applications of diverse graphene-based devices could be limited by insufficient surface reactivity, unsatisfied shaping, or null energy gap of graphene. Engineering the graphene structure by laser techniques can adjust the transport properties and the surface area of graphene, providing devices of different nature with a higher capacitance. Additionally, the created periodic potential and appearance of the active external/inner/edge surface centers determine the multifunctionality of the graphene surface and corresponding devices. Here, we report on the first implementation of nonlinear laser lithography (NLL) for multilayer graphene (MLG) structuring, which offers a low-cost, single-step, and high-speed nanofabrication process. The NLL relies on the employment of a high repetition rate femtosecond Yb fiber laser that provides generation of highly reproducible, robust, uniform, and periodic nanostructures over a large surface area (1 cm 2 /15 s). NLL allows one to obtain clearly predesigned patterned graphene structures without fabrication tolerances, which are caused by contacting mask contamination, polymer residuals, and direct laser exposure of the graphene layers. We represent regularly patterned MLG (p-MLG) obtained by the chemical vapor deposition method on an NLL-structured Ni foil. We also demonstrate tuning of chemical (wettability) and electro-optical (transmittance and sheet resistance) properties of p-MLG by laser power adjustments. In conclusion, we show the great promise of fabricated devices, namely, supercapacitors, and Li-ion batteries by using NLL-assisted graphene patterning. Our approach demonstrates a new avenue to pattern graphene for multifunctional device engineering in optics, photonics, and bioelectronics.

  2. Enhanced Graphene Photodetector with Fractal Metasurface.

    PubMed

    Fang, Jieran; Wang, Di; DeVault, Clayton T; Chung, Ting-Fung; Chen, Yong P; Boltasseva, Alexandra; Shalaev, Vladimir M; Kildishev, Alexander V

    2017-01-11

    Graphene has been demonstrated to be a promising photodetection material because of its ultrabroadband optical absorption, compatibility with CMOS technology, and dynamic tunability in optical and electrical properties. However, being a single atomic layer thick, graphene has intrinsically small optical absorption, which hinders its incorporation with modern photodetecting systems. In this work, we propose a gold snowflake-like fractal metasurface design to realize broadband and polarization-insensitive plasmonic enhancement in graphene photodetector. We experimentally obtain an enhanced photovoltage from the fractal metasurface that is an order of magnitude greater than that generated at a plain gold-graphene edge and such an enhancement in the photovoltage sustains over the entire visible spectrum. We also observed a relatively constant photoresponse with respect to polarization angles of incident light, as a result of the combination of two orthogonally oriented concentric hexagonal fractal geometries in one metasurface.

  3. Tunneling Spectroscopy of Quantum Hall States in Bilayer Graphene

    NASA Astrophysics Data System (ADS)

    Wang, Ke; Harzheim, Achim; Watanabe, Kenji; Taniguchi, Takashi; Kim, Philip

    In the quantum Hall (QH) regime, ballistic conducting paths along the physical edges of a sample appear, leading to quantized Hall conductance and vanishing longitudinal magnetoconductance. These QH edge states are often described as ballistic compressible strips separated by insulating incompressible strips, the spatial profiles of which can be crucial in understanding the stability and emergence of interaction driven QH states. In this work, we present tunneling transport between two QH edge states in bilayer graphene. Employing locally gated device structure, we guide and control the separation between the QH edge states in bilayer graphene. Using resonant Landau level tunneling as a spectroscopy tool, we measure the energy gap in bilayer graphene as a function of displacement field and probe the emergence and evolution of incompressible strips.

  4. Urea-assisted liquid-phase exfoliation of natural graphite into few-layer graphene

    NASA Astrophysics Data System (ADS)

    Hou, Dandan; Liu, Qinfu; Wang, Xianshuai; Qiao, Zhichuan; Wu, Yingke; Xu, Bohui; Ding, Shuli

    2018-05-01

    The mass production of graphene with high quality is desirable for its wide applications. Here, we demonstrated a facile method to exfoliate natural graphite into graphene in organic solvent by assisting of urea. The exfoliation of graphite may originate from the "molecular wedge" effect of urea, which can intercalate into the edge of natural graphite, thus facilitating the production of graphene dispersion with a high concentration up to 1.2 mg/mL. The obtained graphene is non-oxidized with negligible defects. Therefore, this approach has great promise in bulk production of graphene with superior quality for a variety of applications.

  5. Electron Transport in Multi-Terminal Graphene Nanodevice with Inclined Cross Structures

    NASA Astrophysics Data System (ADS)

    Ye, En-Jia; Shi, Yi-Jian; Zhao, Xuean

    2014-12-01

    The DC and AC transport properties are investigated in multi-terminal graphene nanoribbon (GNR) devices. The devices are composed of three or four graphene ribbons connected with different angles. It is found that DC and AC conductances depend on the structural configurations and ribbon properties. In the vicinity of Dirac point, the intersection of graphene ribbons forms band mixing and results in resonant or anti-resonant states. The edge and width, as well as, the angles of the graphene ribbons influence the DC and AC transport properties drastically. These properties can be used to build future graphene-based nanoelectronics.

  6. Computational study of graphene-based vertical field effect transistor

    NASA Astrophysics Data System (ADS)

    Chen, Wenchao; Rinzler, Andrew; Guo, Jing

    2013-03-01

    Poisson and drift-diffusion equations are solved in a three-dimensional device structure to simulate graphene-based vertical field effect transistors (GVFETs). Operation mechanisms of the GVFET with and without punched holes in the graphene source contact are presented and compared. The graphene-channel Schottky barrier can be modulated by gate electric field due to graphene's low density of states. For the graphene contact with punched holes, the contact barrier thinning and lowering around punched hole edge allow orders of magnitude higher tunneling current compared to the region away from the punched hole edge, which is responsible for significant performance improvement as already verified by experiments. Small hole size is preferred due to less electrostatic screening from channel inversion layer, which gives large electric field around the punched hole edge, thus, leading to a thinner and lower barrier. Bilayer and trilayer graphenes as the source contact degrade the performance improvement because stronger electrostatic screening leads to smaller contact barrier lowering and thinning. High punched hole area percentage improves current performance by allowing more gate electric field to modulate the graphene-channel barrier. Low effective mass channel material gives better on-off current ratio.

  7. Reducing contact resistance in graphene devices through contact area patterning.

    PubMed

    Smith, Joshua T; Franklin, Aaron D; Farmer, Damon B; Dimitrakopoulos, Christos D

    2013-04-23

    Performance of graphene electronics is limited by contact resistance associated with the metal-graphene (M-G) interface, where unique transport challenges arise as carriers are injected from a 3D metal into a 2D-graphene sheet. In this work, enhanced carrier injection is experimentally achieved in graphene devices by forming cuts in the graphene within the contact regions. These cuts are oriented normal to the channel and facilitate bonding between the contact metal and carbon atoms at the graphene cut edges, reproducibly maximizing "edge-contacted" injection. Despite the reduction in M-G contact area caused by these cuts, we find that a 32% reduction in contact resistance results in Cu-contacted, two-terminal devices, while a 22% reduction is achieved for top-gated graphene transistors with Pd contacts as compared to conventionally fabricated devices. The crucial role of contact annealing to facilitate this improvement is also elucidated. This simple approach provides a reliable and reproducible means of lowering contact resistance in graphene devices to bolster performance. Importantly, this enhancement requires no additional processing steps.

  8. The interplay between the Aharonov-Bohm interference and parity selective tunneling in graphene nanoribbon rings.

    PubMed

    Nguyen, V Hung; Niquet, Y-M; Dollfus, P

    2014-05-21

    We report on a numerical study of the Aharonov-Bohm (AB) effect and parity selective tunneling in pn junctions based on rectangular graphene rings where the contacts and ring arms are all made of zigzag nanoribbons. We find that when applying a magnetic field to the ring, the AB interference can reverse the parity symmetry of incoming waves and hence can strongly modulate the parity selective transmission through the system. Therefore, the transmission between two states of different parity exhibits the AB oscillations with a π-phase shift, compared to the case of states of the same parity. On this basis, it is shown that interesting effects, such as giant (both positive and negative) magnetoresistance and strong negative differential conductance, can be achieved in this structure. Our study thus presents a new property of the AB interference in graphene nanorings, which could be helpful for further understanding the transport properties of graphene mesoscopic systems.

  9. Between Scylla and Charybdis: Hydrophobic Graphene-Guided Water Diffusion on Hydrophilic Substrates

    PubMed Central

    Kim, Jin-Soo; Choi, Jin Sik; Lee, Mi Jung; Park, Bae Ho; Bukhvalov, Danil; Son, Young-Woo; Yoon, Duhee; Cheong, Hyeonsik; Yun, Jun-Nyeong; Jung, Yousung; Park, Jeong Young; Salmeron, Miquel

    2013-01-01

    The structure of water confined in nanometer-sized cavities is important because, at this scale, a large fraction of hydrogen bonds can be perturbed by interaction with the confining walls. Unusual fluidity properties can thus be expected in the narrow pores, leading to new phenomena like the enhanced fluidity reported in carbon nanotubes. Crystalline mica and amorphous silicon dioxide are hydrophilic substrates that strongly adsorb water. Graphene, on the other hand, interacts weakly with water. This presents the question as to what determines the structure and diffusivity of water when intercalated between hydrophilic substrates and hydrophobic graphene. Using atomic force microscopy, we have found that while the hydrophilic substrates determine the structure of water near its surface, graphene guides its diffusion, favouring growth of intercalated water domains along the C-C bond zigzag direction. Molecular dynamics and density functional calculations are provided to help understand the highly anisotropic water stripe patterns observed. PMID:23896759

  10. Probing π-π stacking modulation of g-C3N4/graphene heterojunctions and corresponding role of graphene on photocatalytic activity.

    PubMed

    Ma, Xinguo; Wei, Yang; Wei, Zhen; He, Hua; Huang, Chuyun; Zhu, Yongfa

    2017-12-15

    The photoelectrochemical properties of g-C 3 N 4 sheet are modified by the π-π stacking interaction with graphene, and the corresponding role of graphene on the surface chemical reactions is investigated by density functional theory. The calculated cohesive energies and the lattice mismatch energies indicate that g-C 3 N 4 and graphene are in parallel contact and can form a stable heterojunction. According to our calculated energy band structures and work functions of g-C 3 N 4 /graphene heterojunctions, the band edge modulations by graphene are discussed and corresponding photoinduced charge transfer processes are analyzed in detail. It is found that the incorporating of graphene into g-C 3 N 4 facilitates the separation of photoinduced e - /h + pairs and the oxidation capacity enhancement of the photoinduced holes with the downshifting of the valence band edge of g-C 3 N 4 layer. It is identified that the inhomogeneous onsite energies between interlayer and the band edge modulations are induced by the inhomogeneous charge redistribution between interlayer caused by graphene. Further, the initial dynamic reaction processes of oxygen atoms in g-C 3 N 4 /graphene heterojunctions also confirm the significant role of graphene on the surface chemical reactions. Copyright © 2017 Elsevier Inc. All rights reserved.

  11. Special issue on graphene nanophotonics

    NASA Astrophysics Data System (ADS)

    Nikitin, A. Yu; Maier, S. A.; Martin-Moreno, L.

    2013-11-01

    , although it cannot be considered as the proceedings of that workshop, was conceived there. Several topics at the cutting edge of research into graphene nanophotonics are covered in this publication. The papers by Polyushkin et al [3] and Thackray et al [4] consider structures where graphene is placed in close proximity to metallic plasmonic resonators. There graphene is used either as a substrate for metallic nanoparticles [3] or as a top layer covering metallic stripes [4]. Both studies find that the plasmonic response of metallic nanoparticles is notably modified by the presence of a graphene. The papers of Nefedov et al [5] and Bludov et al [6] analyze how a metamaterial based on a stack of graphene layers can provide unusually high absorption and reflection. These findings suggest that dynamical tuning of the reflectance and absorbance is possible at specific frequencies. The theory of the transverse current response for graphene within the random phase approximation is presented, from a general standpoint, in the paper by Gutiérrez-Rubio et al [7], which considers non-local effects, as well as the dependence of both temperature and surrounding dielectric media. Forati et al [8] present a study on conductivity and current distributions in a graphene sheet located over a ridge-perturbed ground plane, showing how the resulting plasmonic waveguide is more sensitive to the bias voltage than to the geometric ridge parameters. Effective analytical methods to address the electromagnetic resonances related to the excitation of graphene plasmons in different structures are presented in the papers by Balaban et al [9] (devoted to individual graphene discs and stripes) and Slipchenko et al [10] (which considers periodic graphene gratings). Popov et al [11] predict lasing of terahertz radiation in graphene due to the stimulated generation of plasmons. Their paper demonstrates that the dynamic and frequency ranges, as well as the energy conversion efficiency, of the terahertz

  12. The Enzymatic Oxidation of Graphene Oxide

    PubMed Central

    Kotchey, Gregg P.; Allen, Brett L.; Vedala, Harindra; Yanamala, Naveena; Kapralov, Alexander A.; Tyurina, Yulia Y.; Klein-Seetharaman, Judith; Kagan, Valerian E.; Star, Alexander

    2011-01-01

    Two-dimensional graphitic carbon is a new material with many emerging applications, and studying its chemical properties is an important goal. Here, we reported a new phenomenon – the enzymatic oxidation of a single layer of graphitic carbon by horseradish peroxidase (HRP). In the presence of low concentrations of hydrogen peroxide (~40 µM), HRP catalyzed the oxidation of graphene oxide, which resulted in the formation of holes on its basal plane. During the same period of analysis, HRP failed to oxidize chemically reduced graphene oxide (RGO). The enzymatic oxidation was characterized by Raman, UV-Vis, EPR and FT-IR spectroscopy, TEM, AFM, SDS-PAGE, and GC-MS. Computational docking studies indicated that HRP was preferentially bound to the basal plane rather than the edge for both graphene oxide and RGO. Due to the more dynamic nature of HRP on graphene oxide, the heme active site of HRP was in closer proximity to graphene oxide compared to RGO, thereby facilitating the oxidation of the basal plane of graphene oxide. We also studied the electronic properties of the reduced intermediate product, holey reduced graphene oxide (hRGO), using field-effect transistor (FET) measurements. While RGO exhibited a V-shaped transfer characteristic similar to a single layer of graphene that was attributed to its zero band gap, hRGO demonstrated a p-type semiconducting behavior with a positive shift in the Dirac points. This p-type behavior rendered hRGO, which can be conceptualized as interconnected graphene nanoribbons, as a potentially attractive material for FET sensors. PMID:21344859

  13. The enzymatic oxidation of graphene oxide.

    PubMed

    Kotchey, Gregg P; Allen, Brett L; Vedala, Harindra; Yanamala, Naveena; Kapralov, Alexander A; Tyurina, Yulia Y; Klein-Seetharaman, Judith; Kagan, Valerian E; Star, Alexander

    2011-03-22

    Two-dimensional graphitic carbon is a new material with many emerging applications, and studying its chemical properties is an important goal. Here, we reported a new phenomenon--the enzymatic oxidation of a single layer of graphitic carbon by horseradish peroxidase (HRP). In the presence of low concentrations of hydrogen peroxide (∼40 μM), HRP catalyzed the oxidation of graphene oxide, which resulted in the formation of holes on its basal plane. During the same period of analysis, HRP failed to oxidize chemically reduced graphene oxide (RGO). The enzymatic oxidation was characterized by Raman, ultraviolet-visible, electron paramagnetic resonance, Fourier transform infrared spectroscopy, transmission electron microscopy, atomic force microscopy, sodium dodecyl sulfate-polyacrylamide gel electrophoresis, and gas chromatography-mass spectrometry. Computational docking studies indicated that HRP was preferentially bound to the basal plane rather than the edge for both graphene oxide and RGO. Owing to the more dynamic nature of HRP on graphene oxide, the heme active site of HRP was in closer proximity to graphene oxide compared to RGO, thereby facilitating the oxidation of the basal plane of graphene oxide. We also studied the electronic properties of the reduced intermediate product, holey reduced graphene oxide (hRGO), using field-effect transistor (FET) measurements. While RGO exhibited a V-shaped transfer characteristic similar to a single layer of graphene that was attributed to its zero band gap, hRGO demonstrated a p-type semiconducting behavior with a positive shift in the Dirac points. This p-type behavior rendered hRGO, which can be conceptualized as interconnected graphene nanoribbons, as a potentially attractive material for FET sensors.

  14. A high-efficiency spin polarizer based on edge and surface disordered silicene nanoribbons

    NASA Astrophysics Data System (ADS)

    Xu, Ning; Zhang, Haiyang; Wu, Xiuqiang; Chen, Qiao; Ding, Jianwen

    2018-07-01

    Using the tight-binding formalism, we explore the effect of weak disorder upon the conductance of zigzag edge silicene nanoribbons (SiNRs), in the limit of phase-coherent transport. We find that the fashion of the conductance varies with disorder, and depends strongly on the type of disorder. Conductance dips are observed at the Van Hove singularities, owing to quasilocalized states existing in surface disordered SiNRs. A conductance gap is observed around the Fermi energy for both edge and surface disordered SiNRs, because edge states are localized. The average conductance of the disordered SiNRs decreases exponentially with the increase of disorder, and finally tends to disappear. The near-perfect spin polarization can be realized in SiNRs with a weak edge or surface disorder, and also can be attained by both the local electric field and the exchange field.

  15. Synergistic effect of temperature and point defect on the mechanical properties of single layer and bi-layer graphene

    NASA Astrophysics Data System (ADS)

    Debroy, Sanghamitra; Pavan Kumar, V.; Vijaya Sekhar, K.; Acharyya, Swati Ghosh; Acharyya, Amit

    2017-10-01

    The present study reports a comprehensive molecular dynamics simulation of the effect of a) temperature (300-1073 K at intervals of every 100 K) and b) point defect on the mechanical behaviour of single (armchair and zigzag direction) and bilayer layer graphene (AA and AB stacking). Adaptive intermolecular reactive bond order (AIREBO) potential function was used to describe the many-body short-range interatomic interactions for the single layer graphene sheet. Moreover, Lennard Jones model was considered for bilayer graphene to incorporate the van der Waals interactions among the interlayers of graphene. The effect of temperature on the strain energy of single layer and bilayer graphene was studied in order to understand the difference in mechanical behaviour of the two systems. The strength of the pristine single layer graphene was found to be higher as compared to bilayer AA stacked graphene at all temperatures. It was observed at 1073 K and in the presence of vacancy defect the strength for single layer armchair sheet falls by 30% and for bilayer armchair sheet by 33% as compared to the pristine sheets at 300 K. The AB stacked graphene sheet was found to have a two-step rupture process. The strength of pristine AB sheet was found to decrease by 22% on increase of temperature from 300 K to 1073 K.

  16. Covalent electron transfer chemistry of graphene with diazonium salts.

    PubMed

    Paulus, Geraldine L C; Wang, Qing Hua; Strano, Michael S

    2013-01-15

    Graphene is an atomically thin, two-dimensional allotrope of carbon with exceptionally high carrier mobilities, thermal conductivity, and mechanical strength. From a chemist's perspective, graphene can be regarded as a large polycyclic aromatic molecule and as a surface without a bulk contribution. Consequently, chemistries typically performed on organic molecules and surfaces have been used as starting points for the chemical functionalization of graphene. The motivations for chemical modification of graphene include changing its doping level, opening an electronic band gap, charge storage, chemical and biological sensing, making new composite materials, and the scale-up of solution-processable graphene. In this Account, we focus on graphene functionalization via electron transfer chemistries, in particular via reactions with aryl diazonium salts. Because electron transfer chemistries depend on the Fermi energy of graphene and the density of states of the reagents, the resulting reaction rate depends on the number of graphene layers, edge states, defects, atomic structure, and the electrostatic environment. We limit our Account to focus on pristine graphene over graphene oxide, because free electrons in the latter are already bound to oxygen-containing functionalities and the resulting chemistries are dominated by localized reactivity and defects. We describe the reaction mechanism of diazonium functionalization of graphene and show that the reaction conditions determine the relative degrees of chemisorption and physisorption, which allows for controlled modulation of the electronic properties of graphene. Finally we discuss different applications for graphene modified by this chemistry, including as an additive in polymer matrices, as biosensors when coupled with cells and biomolecules, and as catalysts when combined with nanoparticles.

  17. Origin of anisotropic negative Poisson's ratio in graphene.

    PubMed

    Qin, Zhenzhen; Qin, Guangzhao; Hu, Ming

    2018-06-07

    Negative Poisson's ratio (NPR) in auxetic materials is of great interest due to the typically enhanced toughness, shear resistance, and sound and vibration absorption, which enables plenty of novel applications such as aerospace and defense. Insight into the mechanism underlying NPR is significant to the design of auxetic nanomaterials and nanostructures. However, the analysis of NPR in previous studies mainly remains on the level of the evolution of geometry parameters, such as bond length and bond angle, while a thorough and fundamental understanding is lacking. In this paper, we report anisotropic differential NPR in graphene for uniaxial strains applied along both zigzag and armchair directions based on first-principles calculations. The mechanism underlying the emergence of NPR in graphene (evolution of bond length and bond angle) is found to be different from the conclusions from previous classical molecular dynamics simulations with empirical potential. We propose that the decentralized electron localization function (ELF) driven by strain leads to ELF coupling between different types of bonds, which results in the counter-intuitive anomalous increase of the bond angle and thus the emergence of NPR in graphene. Moreover, the NPR phenomenon can be anticipated to emerge in other nanomaterials or nanostructures with a similar honeycomb structure as that of graphene, where the ELF coupling would also be possible.

  18. Optimal design of wavy microchannel and comparison of heat transfer characteristics with zigzag and straight geometries

    NASA Astrophysics Data System (ADS)

    Parlak, Zekeriya

    2018-05-01

    Design concept of microchannel heat exchangers is going to plan with new flow microchannel configuration to reduce the pressure drop and improve heat transfer performance. The study aims to find optimum microchannel design providing the best performance of flow and heat transfer characterization in a heat sink. Therefore, three different types of microchannels in which water is used, straight, wavy and zigzag have been studied. The optimization operation has been performed to find optimum geometry with ANSYS's Response Surface Optimization Tool. Primarily, CFD analysis has been performed by parameterizing a wavy microchannel geometry. Optimum wavy microchannel design has been obtained by the response surface created for the range of velocity from 0.5 to 5, the range of amplitude from 0.06 to 0.3, the range of microchannel height from 0.1 to 0.2, the range of microchannel width from 0.1 to 0.2 and range of sinusoidal wave length from 0.25 to 2.0. All simulations have been performed in the laminar regime for Reynolds number ranging from 100 to 900. Results showed that the Reynolds number range corresponding to the industrial pressure drop limits is between 100 and 400. Nu values obtained in this range for optimum wavy geometry were found at a rate of 10% higher than those of the zigzag channel and 40% higher than those of the straight channels. In addition, when the pressure values of the straight channel did not exceed 10 kPa, the inlet pressure data calculated for zigzag and wavy channel data almost coincided with each other.

  19. Gate-defined quantum confinement in suspended bilayer graphene

    NASA Astrophysics Data System (ADS)

    Allen, M. T.; Martin, J.; Yacoby, A.

    2012-07-01

    Quantum-confined devices that manipulate single electrons in graphene are emerging as attractive candidates for nanoelectronics applications. Previous experiments have employed etched graphene nanostructures, but edge and substrate disorder severely limit device functionality. Here we present a technique that builds quantum-confined structures in suspended bilayer graphene with tunnel barriers defined by external electric fields that open a bandgap, thereby eliminating both edge and substrate disorder. We report clean quantum dot formation in two regimes: at zero magnetic field B using the energy gap induced by a perpendicular electric field and at B>0 using the quantum Hall ν=0 gap for confinement. Coulomb blockade oscillations exhibit periodicity consistent with electrostatic simulations based on local top-gate geometry, a direct demonstration of local control over the band structure of graphene. This technology integrates single electron transport with high device quality and access to vibrational modes, enabling broad applications from electromechanical sensors to quantum bits.

  20. Focusing and directional beaming effects of airborne sound through a planar lens with zigzag slits

    SciTech Connect

    Tang, Kun; Qiu, Chunyin, E-mail: cyqiu@whu.edu.cn; Lu, Jiuyang

    2015-01-14

    Based on the Huygens-Fresnel principle, we design a planar lens to efficiently realize the interconversion between the point-like sound source and Gaussian beam in ambient air. The lens is constructed by a planar plate perforated elaborately with a nonuniform array of zigzag slits, where the slit exits act as subwavelength-sized secondary sources carrying desired sound responses. The experiments operated at audible regime agree well with the theoretical predictions. This compact device could be useful in daily life applications, such as for medical and detection purposes.

  1. First-principles study of the covalently functionalized graphene

    NASA Astrophysics Data System (ADS)

    Jha, Sanjiv Kumar

    Theoretical investigations of nanoscale systems, such as functionalized graphene, present major challenges to conventional computational methods employed in quantum chemistry and solid state physics. The properties of graphene can be affected by chemical functionalization. The surface functionalization of graphene offers a promising way to increase the solubility and reactivity of graphene for use in nanocomposites and chemical sensors. Covalent functionalization is an efficient way to open band-gap in graphene for applications in nanoelectronics. We apply ab initio computational methods based on density functional theory to study the covalent functionalization of graphene with benzyne (C6H4), tetracyanoethylene oxide (TCNEO), and carboxyl (COOH) groups. Our calculations are carried out using the SIESTA and Quantum-ESPRESSO electronic structure codes combined with the generalized gradient (GGA) and local density approximations (LDA) for the exchange correlation functionals and norm-conserving Troullier-Martins pseudopotentials. Calculated binding energies, densities of states (DOS), band structures, and vibrational spectra of functionalized graphene are analyzed in comparison with the available experimental data. Our calculations show that the reactions of [2 + 2] and [2 + 4] cycloaddition of C6H4 to the surface of pristine graphene are exothermic, with binding energies of --0.73 eV and --0.58 eV, respectively. Calculated band structures indicate that the [2 + 2] and [2 + 4] attachments of benzyne results in opening small band gap in graphene. The study of graphene--TCNEO interactions suggests that the reaction of cycloaddition of TCNEO to the surface of pristine graphene is endothermic. On the other hand, the reaction of cycloaddition of TCNEO is found to be exothermic for the edge of an H-terminated graphene sheet. Simulated Raman and infrared spectra of graphene functionalized with TCNEO are consistent with experimental results. The Raman (non-resonant) and

  2. Optically induced Lifshitz transition in bilayer graphene

    NASA Astrophysics Data System (ADS)

    Iorsh, I. V.; Dini, K.; Kibis, O. V.; Shelykh, I. A.

    2017-10-01

    It is shown theoretically that the renormalization of the electron energy spectrum of bilayer graphene with a strong high-frequency electromagnetic field (dressing field) results in the Lifshitz transition—the abrupt change in the topology of the Fermi surface near the band edge. This effect substantially depends on the polarization of the field: The linearly polarized dressing field induces the Lifshitz transition from the quadruply connected Fermi surface to the doubly connected one, whereas the circularly polarized field induces the multicritical point where the four different Fermi topologies may coexist. As a consequence, the discussed phenomenon creates a physical basis to control the electronic properties of bilayer graphene with light.

  3. Synthesis and Modification of Holey Graphene for Energy Storage

    NASA Technical Reports Server (NTRS)

    Lin, Yi; Kim, Jae-Woo; Connell, John W.

    2015-01-01

    Porous graphene materials have recently drawn significant interest for energy storage applications due to the effective use of the graphitic surface area provided by the pores. Holey graphene is a type of porous graphene with pores in the form of physical through thickness holes. This type of porous graphene provides a unique morphology that allows for effective transport of molecular species through the graphene plane. Therefore, as we recently demonstrated, holey graphene could be advantageous in the preparation of electrodes in supercapacitors with high volumetric performance.1 We have developed methodologies to scalably prepare holey graphene materials with or without the use of catalysts (Figure 1).1,2 In this presentation, we will discuss the choice of synthetic strategies and experimental conditions on the morphology and physical properties of holey graphene (Figure 2) and the effect on their electrochemical properties. We will also present the results on the further modification of holey graphene to study their physical and chemical properties, especially with regard to the stability and chemical reactivity of carbons located around the edges of the holes.

  4. Strain-Dependent Edge Structures in MoS2 Layers.

    PubMed

    Tinoco, Miguel; Maduro, Luigi; Masaki, Mukai; Okunishi, Eiji; Conesa-Boj, Sonia

    2017-11-08

    Edge structures are low-dimensional defects unavoidable in layered materials of the transition metal dichalcogenides (TMD) family. Among the various types of such structures, the armchair (AC) and zigzag (ZZ) edge types are the most common. It has been predicted that the presence of intrinsic strain localized along these edges structures can have direct implications for the customization of their electronic properties. However, pinning down the relation between local structure and electronic properties at these edges is challenging. Here, we quantify the local strain field that arises at the edges of MoS 2 flakes by combining aberration-corrected transmission electron microscopy (TEM) with the geometrical-phase analysis (GPA) method. We also provide further insight on the possible effects of such edge strain on the resulting electronic behavior by means of electron energy loss spectroscopy (EELS) measurements. Our results reveal that the two-dominant edge structures, ZZ and AC, induce the formation of different amounts of localized strain fields. We also show that by varying the free edge curvature from concave to convex, compressive strain turns into tensile strain. These results pave the way toward the customization of edge structures in MoS 2 , which can be used to engineer the properties of layered materials and thus contribute to the optimization of the next generation of atomic-scale electronic devices built upon them.

  5. Space charge neutralization by electron-transparent suspended graphene

    PubMed Central

    Srisonphan, Siwapon; Kim, Myungji; Kim, Hong Koo

    2014-01-01

    Graphene possesses many fascinating properties originating from the manifold potential for interactions at electronic, atomic, or molecular levels. Here we report measurement of electron transparency and hole charge induction response of a suspended graphene anode on top of a void channel formed in a SiO2/Si substrate. A two-dimensional (2D) electron gas induced at the oxide interface emits into air and makes a ballistic transport toward the suspended graphene. A small fraction (>~0.1%) of impinging electrons are captured at the edge of 2D hole system in graphene, demonstrating good transparency to very low energy (<3 eV) electrons. The hole charges induced in the suspended graphene anode have the effect of neutralizing the electron space charge in the void channel. This charge compensation dramatically enhances 2D electron gas emission at cathode to the level far surpassing the Child-Langmuir's space-charge-limited emission. PMID:24441774

  6. Intercalated europium metal in epitaxial graphene on SiC

    DOE PAGES

    Anderson, Nathaniel; Hupalo, Myron; Keavney, David; ...

    2017-10-25

    X-ray magnetic circular dichroism (XMCD) reveals the magnetic properties of intercalated europium metal under graphene on SiC(0001). Intercalation of Eu nanoclusters (average size 2.5 nm) between graphene and SiC substate are formed by deposition of Eu on epitaxially grown graphene that is subsequently annealed at various temperatures while keeping the integrity of the graphene layer. Using sum-rules analysis of the XMCD of Eu M 4,5 edges at T = 15 K, our samples show paramagnetic-like behavior with distinct anomaly at T ≈ 90 K, which may be related to the Nèel transition, T N = 91 K, of bulk metalmore » Eu. Here, we find no evidence of ferromagnetism due to EuO or antiferromagnetism due to Eu 2 O 3, indicating that the graphene layer protects the intercalated metallic Eu against oxidation over months of exposure to atmospheric environment.« less

  7. Intercalated europium metal in epitaxial graphene on SiC

    SciTech Connect

    Anderson, Nathaniel; Hupalo, Myron; Keavney, David

    X-ray magnetic circular dichroism (XMCD) reveals the magnetic properties of intercalated europium metal under graphene on SiC(0001). Intercalation of Eu nanoclusters (average size 2.5 nm) between graphene and SiC substate are formed by deposition of Eu on epitaxially grown graphene that is subsequently annealed at various temperatures while keeping the integrity of the graphene layer. Using sum-rules analysis of the XMCD of Eu M 4,5 edges at T = 15 K, our samples show paramagnetic-like behavior with distinct anomaly at T ≈ 90 K, which may be related to the Nèel transition, T N = 91 K, of bulk metalmore » Eu. Here, we find no evidence of ferromagnetism due to EuO or antiferromagnetism due to Eu 2 O 3, indicating that the graphene layer protects the intercalated metallic Eu against oxidation over months of exposure to atmospheric environment.« less

  8. X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites.

    PubMed

    Gandhiraman, Ram P; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E; Chen, Bin; Meyyappan, M

    2014-08-14

    The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties as the graphene oxide transformation to reduced-graphene oxide is a key step in the synthesis of the electrode materials. Polarized behavior of the synchrotron X-rays and the angular dependency of the near-edge X-ray absorption fine structures (NEXAFS) have been utilized to study the orientation of the σ and π bonds of the graphene oxide and graphene oxide-metal oxide nanocomposites. The core-level transitions of individual metal oxides and that of the graphene oxide nanocomposite showed that the interaction of graphene oxide with the metal oxide nanostructures has not altered the electronic structure of either of them. As the restoration of the π network is important for good electrical conductivity, the C K edge NEXAFS spectra of reduced graphene oxide nanocomposites confirms the same through increased intensity of the sp 2 -derived unoccupied states π* band. A pronounced angular dependency of the reduced sample and the formation of excitonic peaks confirmed the formation of extended conjugated network.

  9. A Theoretical Analysis of the Effect of the Hydrogenation of Graphene to Graphane on Its Mechanical Properties

    NASA Astrophysics Data System (ADS)

    Peng, Q.; Liang, Chao; Ji, Wei; de, Suvranu

    2013-03-01

    We investigated the mechanical properties of graphene and graphane using first-principles calculations based on density-functional theory. A conventional unitcell containing a hexagonal ring made of carbon atoms was chosen to capture the finite wave vector ``soft modes'', which affect the the fourth and fifth elastic constants considerably. Graphane has about 2/3 ultimate strengths in all three tested deformation modes - armchair, zigzag, and biaxial- compared to graphene. However, graphane has larger ultimate strains in zigzag deformation, and smaller in armchair deformation. We obtained the second, third, fourth, and fifth order elastic constants for a rigorous continuum description of the elastic response. Graphane has a relatively low in-plane stiffness of 240 N/m which is about 2/3 of that of graphene, and a very small Poisson ratio of 0.078, 44% of that of graphene. The pressure dependence of the second order elastic constants were predicted from the third order elastic constants. The Poisson's ratio monotonically decreases with increasing pressure. Acknowledge the financial support from DTRA Grant # BRBAA08-C-2-0130, the U.S. NRCFDP # NRC-38-08-950, and U.S. DOE NEUP Grant #DE-NE0000325.

  10. Failure mechanism of monolayer graphene under hypervelocity impact of spherical projectile

    PubMed Central

    Xia, Kang; Zhan, Haifei; Hu, De’an; Gu, Yuantong

    2016-01-01

    The excellent mechanical properties of graphene have enabled it as appealing candidate in the field of impact protection or protective shield. By considering a monolayer graphene membrane, in this work, we assessed its deformation mechanisms under hypervelocity impact (from 2 to 6 km/s), based on a serial of in silico studies. It is found that the cracks are formed preferentially in the zigzag directions which are consistent with that observed from tensile deformation. Specifically, the boundary condition is found to exert an obvious influence on the stress distribution and transmission during the impact process, which eventually influences the penetration energy and crack growth. For similar sample size, the circular shape graphene possesses the best impact resistance, followed by hexagonal graphene membrane. Moreover, it is found the failure shape of graphene membrane has a strong relationship with the initial kinetic energy of the projectile. The higher kinetic energy, the more number the cracks. This study provides a fundamental understanding of the deformation mechanisms of monolayer graphene under impact, which is crucial in order to facilitate their emerging future applications for impact protection, such as protective shield from orbital debris for spacecraft. PMID:27618989

  11. Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene

    SciTech Connect

    Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong

    Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzagmore » directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. Lastly, the correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.« less

  12. Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene

    DOE PAGES

    Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; ...

    2014-12-01

    Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzagmore » directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. Lastly, the correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene.« less

  13. Failure mechanism of monolayer graphene under hypervelocity impact of spherical projectile

    NASA Astrophysics Data System (ADS)

    Xia, Kang; Zhan, Haifei; Hu, De'An; Gu, Yuantong

    2016-09-01

    The excellent mechanical properties of graphene have enabled it as appealing candidate in the field of impact protection or protective shield. By considering a monolayer graphene membrane, in this work, we assessed its deformation mechanisms under hypervelocity impact (from 2 to 6 km/s), based on a serial of in silico studies. It is found that the cracks are formed preferentially in the zigzag directions which are consistent with that observed from tensile deformation. Specifically, the boundary condition is found to exert an obvious influence on the stress distribution and transmission during the impact process, which eventually influences the penetration energy and crack growth. For similar sample size, the circular shape graphene possesses the best impact resistance, followed by hexagonal graphene membrane. Moreover, it is found the failure shape of graphene membrane has a strong relationship with the initial kinetic energy of the projectile. The higher kinetic energy, the more number the cracks. This study provides a fundamental understanding of the deformation mechanisms of monolayer graphene under impact, which is crucial in order to facilitate their emerging future applications for impact protection, such as protective shield from orbital debris for spacecraft.

  14. Thermal Lens Measurement in Diode-Pumped Nd:YAG Zig-Zag Slab

    NASA Technical Reports Server (NTRS)

    Smoak, M. C.; Kay, R. B.; Coyle, D. B.; Hopf, D.

    1998-01-01

    A major advantage that solid state zig-zag slab lasers have over conventional rod-based designs is that a much weaker thermal lens is produced in the slab when side-pumped with Quasi-CW laser diode arrays, particularly if the pump radiation is kept well away from the Brewster-cut ends. This paper reports on a rather strong thermal lens produced when diode pump radiation is collimated into a narrow portion of the zig-zag slab. The collimation of multi-bar pump packages to increase brightness and improve overlap is a direct consequence of designs which seek to maximize performance and efficiency. Our slab design employed a 8.1 cm x 2.5 mm x 5 mm slab with opposing Brewster end faces. It was pumped through the 2.5 mm direction by seven laser diode array packages, each housing four 6OW diode bars, 1 cm in width. The pump face, anti-reflection (AR) coated at 809 nm, was 6.8 cm in width and the 8.1 cm opposing side, high-reflection (HR) coated at 809 nm, reflected the unabsorbed pump beam for a second pass through the slab.

  15. Geometric effects on mixing performance in a novel passive micromixer with trapezoidal-zigzag channels

    NASA Astrophysics Data System (ADS)

    Le The, Hai; Ta, Bao Quoc; Le Thanh, Hoa; Dong, Tao; Nguyen Thoi, Trung; Karlsen, Frank

    2015-09-01

    A novel passive micromixer, called a trapezoidal-zigzag micromixer (TZM), is reported. A TZM is composed of trapezoidal channels in a zigzag and split-recombine arrangement that enables multiple mixing mechanisms, including splitting-recombining, twisting, transversal flows, vortices, and chaotic advection. The effects of geometric parameters of the TZM on mixing performance are systematically investigated by the Taguchi method and numerical simulations in COMSOL Multiphysics. The number of mixing units, the slope angle of the trapezoidal channel, the height of the constriction element, and the width ratio between the middle-trapezoidal channel and the side-trapezoidal channel are the four parameters under study. The mixing performance of the TZM is investigated at three different Reynolds number (Re) values of 0.5, 5, and 50. The results showed that a TZM with six mixing units, a trapezoidal slope angle of 75°, a constricting height of 100 µm, and a width ratio of 0.5 has the highest mixing efficiency. This optimal TZM has a mixing efficiency greater than 85% for Re values from 0.1 to 80. In particular, for Re  ⩽  0.9 and Re  ⩾  20, the mixing efficiency of the optimal TZM is greater than 90%. The proposed TZM has a higher mixing efficiency and a smaller footprint than previously reported micromixers.

  16. Soliton Analysis in Complex Molecular Systems: A Zig-Zag Chain

    NASA Astrophysics Data System (ADS)

    Christiansen, P. L.; Savin, A. V.; Zolotaryuk, A. V.

    1997-06-01

    A simple numerical method for seeking solitary wavesolutions of a permanent profile in molecular systems of big complexity is presented. The method is essentially based on the minimization of a finite-dimensional function which is chosen under an appropriate discretization of time derivatives in equations of motion. In the present paper, it is applied to a zig-zag chain backbone of coupled particles, each of which has twodegrees of freedom (longitudinal and transverse). Both topological and nontopological soliton solutions are treated for this chain when it is (i) subjected to a two-dimensional periodic substrate potential or (ii) considered as an isolated object, respectively. In the first case, which may be considered as a zig-zag generalization of the Frenkel-Kontorova chain model, two types of kink solutions with different topological charges, describing vacancies of one or two atoms (I- or II-kinks) and defects with excess one or two atoms in the chain (I- or II-antikinks), have been found. The second case (isolated chain) is a generalization of the well-known Fermi-Pasta-Ulam chain model, which takes into account transverse degrees of freedom of the chain molecules. Two types of stable nontopological soliton solutions which describe either (i) a supersonic solitary wave of longitudinal stretching accompanied by transverse slendering or (ii) supersonic pulses of longitudinal compression propagating together with localized transverse thickening (bulge) have been obtained.

  17. Optical absorption of zigzag single walled boron nitride nanotubes in axial magnetic field

    NASA Astrophysics Data System (ADS)

    Chegel, Raad; Behzad, Somayeh

    2013-11-01

    We have investigated the effect of axial magnetic field on the band structure, dipole matrix elements and absorption spectrum in different energy ranges, using tight binding approximation. It is found that magnetic field breaks the degeneracy in the band structure and creates new allowed transitions in the dipole matrix which leads to creation of new peaks in the absorption spectrum. It is found that, unlike to CNTs which show metallic-semiconductor transition, the BNNTs remain semiconductor in any magnetic field strength. By calculation the diameter dependence of peak positions, we found that the positions of three first peaks in the lower energy region (E <5.3 eV) are proportional to n-2. In the middle energy region (7 < E < 7.5 eV) all (n, 0) zigzag BNNTs, with even and odd nanotube index, have two distinct peaks in the absence of magnetic field which these peaks may be used to identify zigzag BNNTs from other tube chiralities. For odd (even) tubes, in the middle energy region, applying the magnetic field leads to splitting of these two peaks into three (five) distinct peaks.

  18. Direct Growth of Graphene on Silicon by Metal-Free Chemical Vapor Deposition

    NASA Astrophysics Data System (ADS)

    Tai, Lixuan; Zhu, Daming; Liu, Xing; Yang, Tieying; Wang, Lei; Wang, Rui; Jiang, Sheng; Chen, Zhenhua; Xu, Zhongmin; Li, Xiaolong

    2018-06-01

    The metal-free synthesis of graphene on single-crystal silicon substrates, the most common commercial semiconductor, is of paramount significance for many technological applications. In this work, we report the growth of graphene directly on an upside-down placed, single-crystal silicon substrate using metal-free, ambient-pressure chemical vapor deposition. By controlling the growth temperature, in-plane propagation, edge-propagation, and core-propagation, the process of graphene growth on silicon can be identified. This process produces atomically flat monolayer or bilayer graphene domains, concave bilayer graphene domains, and bulging few-layer graphene domains. This work would be a significant step toward the synthesis of large-area and layer-controlled, high-quality graphene on single-crystal silicon substrates. [Figure not available: see fulltext.

  19. The electrochemical performance of graphene modified electrodes: an analytical perspective.

    PubMed

    Brownson, Dale A C; Foster, Christopher W; Banks, Craig E

    2012-04-21

    We explore the use of graphene modified electrodes towards the electroanalytical sensing of various analytes, namely dopamine hydrochloride, uric acid, acetaminophen and p-benzoquinone via cyclic voltammetry. In line with literature methodologies and to investigate the full-implications of employing graphene in this electrochemical context, we modify electrode substrates that exhibit either fast or slow electron transfer kinetics (edge- or basal- plane pyrolytic graphite electrodes respectively) with well characterised commercially available graphene that has not been chemically treated, is free from surfactants and as a result of its fabrication has an extremely low oxygen content, allowing the true electroanalytical applicability of graphene to be properly de-convoluted and determined. In comparison to the unmodified underlying electrode substrates (constructed from graphite), we find that graphene exhibits a reduced analytical performance in terms of sensitivity, linearity and observed detection limits towards each of the various analytes studied within. Owing to graphene's structural composition, low proportion of edge plane sites and consequent slow heterogeneous electron transfer rates, there appears to be no advantages, for the analytes studied here, of employing graphene in this electroanalytical context.

  20. Nanoindentation near the edge

    Treesearch

    J.E. Jakes; C.R. Frihart; J.F. Beecher; R.J. Moon; P.J. Resto; Z.H. Melgarejo; O.M. Saurez; H. Baumgart; A.A. Elmustafa; D.S. Stone

    2009-01-01

    Whenever a nanoindent is placed near an edge, such as the free edge of the specimen or heterophase interface intersecting the surface, the elastic discontinuity associated with the edge produces artifacts in the load-depth data. Unless properly handled in the data analysis, the artifacts can produce spurious results that obscure any real trends in properties as...

  1. The structures and electronic properties of zigzag silicene nanoribbons with periodically embedded with four- and eight-membered rings

    NASA Astrophysics Data System (ADS)

    Tan, Guiping; Lu, Junzhe; Zhu, Hengjiang; Li, Fangfang; Ma, Miaomiao; Wang, Xiaoning

    2018-07-01

    Using density functional theory (DFT), we have studied the structure of a zigzag silicene nanoribbons (SiNRs) with periodically embedded with four- and eight-membered rings, and studied their electronic properties by calculating its band structures and density of states (DOS). The results showed that the zigzag SiNRs have a sp2 hybridization, in addition, the band gap gradually decreased with the increase of the width by layer, and gradually changed from semiconductor properties to metal properties. The existence of vacancy defects increased the band gap and energies, but their positions could not change the structure and the electronic properties.

  2. Copper intercalation at the interface of graphene and Ir(111) studied by scanning tunneling microscopy

    NASA Astrophysics Data System (ADS)

    Sicot, M.; Fagot-Revurat, Y.; Kierren, B.; Vasseur, G.; Malterre, D.

    2014-11-01

    We report on the intercalation of a submonolayer of copper at 775 K underneath graphene epitaxially grown on Ir(111) studied by means of low energy electron diffraction (LEED) and scanning tunneling microscopy (STM) at 77 K. Nucleation and growth dynamics of Cu below graphene have been investigated, and, most importantly, the intercalation mechanism has been identified. First, LEED patterns reveal the pseudomorphic growth of Cu on Ir under the topmost graphene layer resulting in a large Cu in-plane lattice parameter expansion of about 6% compared to Cu(111). Second, large-scale STM topographs as a function of Cu coverage show that Cu diffusion on Ir below graphene exhibits a low energy barrier resulting in Cu accumulation at Ir step edges. As a result, the graphene sheet undergoes a strong edges reshaping. Finally, atomically-resolved STM images reveal a damaged graphene sheet at the atomic scale after metal intercalation. Point defects in graphene were shown to be carbon vacancies. According to these results, a Cu penetration path beneath graphene is proposed to occur via metal aided defect formation with no or poor self healing of the graphene sheet. This work illustrates the fact that Cu intercalation is harmful for graphene grown on Ir(111) at the atomic scale.

  3. Thermal spin filtering effect and giant magnetoresistance of half-metallic graphene nanoribbon co-doped with non-metallic Nitrogen and Boron

    NASA Astrophysics Data System (ADS)

    Huang, Hai; Zheng, Anmin; Gao, Guoying; Yao, Kailun

    2018-03-01

    Ab initio calculations based on density functional theory and non-equilibrium Green's function are performed to investigate the thermal spin transport properties of single-hydrogen-saturated zigzag graphene nanoribbon co-doped with non-metallic Nitrogen and Boron in parallel and anti-parallel spin configurations. The results show that the doped graphene nanoribbon is a full half-metal. The two-probe system based on the doped graphene nanoribbon exhibits various excellent spin transport properties, including the spin-filtering effect, the spin Seebeck effect, the single-spin negative differential thermal resistance effect and the sign-reversible giant magnetoresistance feature. Excellently, the spin-filtering efficiency can reach nearly 100% in the parallel configuration and the magnetoresistance ratio can be up to -1.5 × 1010% by modulating the electrode temperature and temperature gradient. Our findings indicate that the metal-free doped graphene nanoribbon would be a promising candidate for spin caloritronic applications.

  4. Edge Evaluation Using Local Edge Coherence

    DTIC Science & Technology

    1980-12-01

    response within each region. (The operators discussed below also compute an esti- mate of the direction of brightness change .) In the next step, the edges...worth remarking on is that Abdou and Pratt vary the relative strength of signal to noise by holding the contrast constant and changing the standard...threshold level on the basis of the busyness of the resulting thresholded image.) In applications where edge extraction is an important part of the processing

  5. Limiting Size of Monolayer Graphene Flakes Grown on Silicon Carbide or via Chemical Vapor Deposition on Different Substrates

    NASA Astrophysics Data System (ADS)

    Alekseev, N. I.

    2018-05-01

    The maximum size of homogeneous monolayer graphene flakes that form during the high-temperature evaporation of silicon from a surface of SiC or during graphene synthesis via chemical vapor deposition is estimated, based on the theoretical calculations developed in this work. Conditions conducive to the fragmentation of a monolayer graphene sheet to form discrete fragments or terrace-type structures in which excess energy due to dangling bonds at the edges is compensated for by the lack of internal stress are indentified and described. The results from calculations for the sizes of graphene structures are compared with experimental findings for the most successful graphene syntheses reported in the literature.

  6. Direction-dependent waist-shift-difference of Gaussian beam in a multiple-pass zigzag slab amplifier and geometrical optics compensation method.

    PubMed

    Li, Zhaoyang; Kurita, Takashi; Miyanaga, Noriaki

    2017-10-20

    Zigzag and non-zigzag beam waist shifts in a multiple-pass zigzag slab amplifier are investigated based on the propagation of a Gaussian beam. Different incident angles in the zigzag and non-zigzag planes would introduce a direction-dependent waist-shift-difference, which distorts the beam quality in both the near- and far-fields. The theoretical model and analytical expressions of this phenomenon are presented, and intensity distributions in the two orthogonal planes are simulated and compared. A geometrical optics compensation method by a beam with 90° rotation is proposed, which not only could correct the direction-dependent waist-shift-difference but also possibly average the traditional thermally induced wavefront-distortion-difference between the horizontal and vertical beam directions.

  7. Biomimetic graphene sensors: functionalizing graphene with peptides

    NASA Astrophysics Data System (ADS)

    Ishigami, Masa; Nyon Kim, Sang; Naik, Rajesh; Tatulian, Suren A.; Katoch, Jyoti

    2012-02-01

    Non-covalent biomimetic functionalization of graphene using peptides is one of more promising methods for producing novel sensors with high sensitivity and selectivity. Here we combine atomic force microscopy, Raman spectroscopy, and attenuated total reflection Fourier transform infrared spectroscopy to investigate peptide binding to graphene and graphite. We choose to study a dodecamer peptide identified with phage display to possess affinities for graphite and we find that the peptide forms a complex mesh-like structure upon adsorption on graphene. Moreover, optical spectroscopy reveals that the peptide binds non-covalently to graphene and possesses an optical signature of an ?-helical conformation on graphene.

  8. Spatial structure of correlations around a quantum impurity at the edge of a two-dimensional topological insulator

    NASA Astrophysics Data System (ADS)

    Allerdt, Andrew; Feiguin, A. E.; Martins, G. B.

    2017-07-01

    We calculate exact zero-temperature real-space properties of a substitutional magnetic impurity coupled to the edge of a zigzag silicenelike nanoribbon. Using a Lanczos transformation [A. Allerdt et al., Phys. Rev. B 91, 085101 (2015), 10.1103/PhysRevB.91.085101] and the density-matrix renormalization-group method, we obtain a realistic description of stanene and germanene that includes the bulk and the edges as boundary one-dimensional helical metallic states. Our results for substitutional impurities indicate that the development of a Kondo state and the structure of the spin correlations between the impurity and the electron spins in the metallic edge state depend considerably on the location of the impurity. More specifically, our real-space resolution allows us to conclude that there is a sharp distinction between the impurity being located at a crest or a trough site at the zigzag edge. We also observe, as expected, that the spin correlations are anisotropic due to an emerging Dzyaloshinskii-Moriya interaction with the conduction electrons and that the edges scatter from the impurity and "snake" or circle around it. Our estimates for the Kondo temperature indicate that there is a very weak enhancement due to the presence of spin-orbit coupling.

  9. Modulating the spin transport behaviors in ZBNCNRs by edge hydrogenation and position of BN chain

    SciTech Connect

    Ouyang, Jun; Long, Mengqiu, E-mail: mqlong@csu.edu.cn, E-mail: ygao@csu.edu.cn; Zhang, Dan

    2016-03-15

    Using the density functional theory and the nonequilibrium Green’s function method, we study the spin transport behaviors in zigzag boron-nitrogen-carbon nanoribbons (ZBNCNRs) by modulating the edge hydrogenation and the position of B-N nanoribbons (BNNRs) chain. The different edge hydrogenations of the ZBNCNRs and the different position relationships of the BNNRs have been considered systematically. Our results show that the metallic, semimetallic and semiconductive properties of the ZBNCNRs can be modulated by the different edge hydrogenations and different position relationships of BN chains. And our proposaled ZBNCNRs devices act as perfect spin-filters with nearly 100% spin polarization. These effects would havemore » potential applications for boron-nitrogen-carbon-based nanomaterials in spintronics nano-devices.« less

  10. Chirality effect in disordered graphene ribbon junctions

    NASA Astrophysics Data System (ADS)

    Long, Wen

    2012-05-01

    We investigate the influence of edge chirality on the electronic transport in clean or disordered graphene ribbon junctions. By using the tight-binding model and the Landauer-Büttiker formalism, the junction conductance is obtained. In the clean sample, the zero-magnetic-field junction conductance is strongly chirality-dependent in both unipolar and bipolar ribbons, whereas the high-magnetic-field conductance is either chirality-independent in the unipolar or chirality-dependent in the bipolar ribbon. Furthermore, we study the disordered sample in the presence of magnetic field and find that the junction conductance is always chirality-insensitive for both unipolar and bipolar ribbons with adequate disorders. In addition, the disorder-induced conductance plateaus can exist in all chiral bipolar ribbons provided the disorder strength is moderate. These results suggest that we can neglect the effect of edge chirality in fabricating electronic devices based on the magnetotransport in a disordered graphene ribbon.

  11. Quantum correlations in chiral graphene nanoribbons.

    PubMed

    Tan, Xiao-Dong; Koop, Cornelie; Liao, Xiao-Ping; Sun, Litao

    2016-11-02

    We compute the entanglement and the quantum discord (QD) between two edge spins in chiral graphene nanoribbons (CGNRs) thermalized with a reservoir at temperature T (canonical ensemble). We show that the entanglement only exists in inter-edge coupled spin pairs, and there is no entanglement between any two spins at the same ribbon edge. By contrast, almost all edge spin pairs can hold non-zero QD, which strongly depends on the ribbon width and the Coulomb repulsion among electrons. More intriguingly, the dominant entanglement always occurs in the pair of nearest abreast spins across the ribbon, and even at room temperature this type of entanglement is still very robust, especially for narrow CGNRs with the weak Coulomb repulsion. These remarkable properties make CGNRs very promising for possible applications in spin-quantum devices.

  12. Magnetic properties of graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Espinosa-Ortega, T.; Luk'yanchuk, I. A.; Rubo, Y. G.

    2013-05-01

    Using the tight-binding approximation we calculated the diamagnetic susceptibility of graphene quantum dots (GQDs) of different geometrical shapes and characteristic sizes of 2-10 nm, when the magnetic properties are governed by the electron edge states. Two types of edge states can be discerned: the zero-energy states (ZESs), located exactly at the zero-energy Dirac point, and the dispersed edge states (DESs), with the energy close but not exactly equal to zero. DESs are responsible for a temperature-independent diamagnetic response, while ZESs provide a temperature-dependent spin paramagnetism. Hexagonal, circular, and randomly shaped GQDs contain mainly DESs, and, as a result, they are diamagnetic. The edge states of the triangular GQDs are of ZES type. These dots reveal the crossover between spin paramagnetism, dominating for small dots and at low temperatures, and orbital diamagnetism, dominating for large dots and at high temperatures.

  13. Car-Parrinello molecular dynamics study of the melting behaviors of n-atom (n = 6, 10) graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Shekaari, Ashkan; Abolhassani, Mohammad Reza

    2017-06-01

    First-principles molecular dynamics has been applied to inquire into the melting behaviors of n-atom (n = 6, 10) graphene quantum dots (GQD6 and zigzag GQD10) within the temperature range of T = 0-500 K. The temperature dependence of the geometry of each quantum dot is thoroughly evaluated via calculating the related shape deformation parameters and the eigenvalues of the quadrupole tensors. Examining the variations of some phase-transition indicators such as root-mean-square bond length fluctuations and mean square displacements broadly proposes the value of Tm = 70 K for the melting point of GQD6 while a continuous, two-stage phase transition has been concluded for zigzag GQD10.

  14. The Effect of Acceleration Sprint and Zig-zag Drill Combination to Increase Students’ Speed and Agility

    NASA Astrophysics Data System (ADS)

    Bana, O.; Mintarto, E.; Kusnanik, N. W.

    2018-01-01

    The purpose of this research is to analyze the following factors: (1) how far the effect of exercise acceleration sprint on the speed and agility (2) how much influence the zig-zag drill combination to the speed and agility (3) and is there any difference between the effects of exercise acceleration sprint and practice zig-zag drill combination of the speed and agility. This research is quantitative with quasi-experimental approach. The design of this study is matching only design.This study was conducted on 33 male students who take part in extracurricular and divided into 3 groups with 11 students in each group. Group 1 was given training of acceleration sprint, group 2 was given zig-zag training combination drills of conventional and exercises for group 3, for 8 weeks. The data collection was using sprint 30 meter to test the speed and agility t-test to test agility. Data were analyzed using t-test and analysis of variance. The conclusion of the research is (1) there is a significant effect of exercise acceleration sprint for the speed and agility, (2) there is a significant influence combination zig-zag drills, on speed and agility (3) and exercise acceleration sprint have more effect on the speed and agility.

  15. Edge cracks in nickel and aluminium single crystals: A molecular dynamics study

    SciTech Connect

    Chandra, Sagar, E-mail: sagarc@barc.gov.in; Chavan, V. M.; Patel, R. J.

    A molecular dynamics study of edge cracks in Ni and Al single crystals under mode-I loading conditions is presented. Simulations are performed using embedded-atom method potentials for Ni and Al at a temperature of 0.5 K. The results reveal that Ni and Al show different fracture mechanisms. Overall failure behavior of Ni is brittle, while fracture in Al proceeds through void nucleation and coalescence with a zig-zag pattern of crack growth. The qualitative nature of results is discussed in the context of vacancy-formation energies and surface energies of the two FCC metals.

  16. Raman fingerprints of atomically precise graphene nanoribbons

    DOE PAGES

    Verzhbitskiy, Ivan A.; Corato, Marzio De; Ruini, Alice; ...

    2016-02-23

    Bottom-up approaches allow the production of ultranarrow and atomically precise graphene nanoribbons (GNRs) with electronic and optical properties controlled by the specific atomic structure. Combining Raman spectroscopy and ab initio simulations, we show that GNR width, edge geometry, and functional groups all influence their Raman spectra. As a result, the low-energy spectral region below 1000 cm –1 is particularly sensitive to edge morphology and functionalization, while the D peak dispersion can be used to uniquely fingerprint the presence of GNRs and differentiates them from other sp 2 carbon nanostructures.

  17. Cubic Zig-Zag Enrichment of the Classical Kirchhoff Kinematics for Laminated and Sandwich Plates

    NASA Technical Reports Server (NTRS)

    Nemeth, Michael P.

    2012-01-01

    A detailed anaylsis and examples are presented that show how to enrich the kinematics of classical Kirchhoff plate theory by appending them with a set of continuous piecewise-cubic functions. This analysis is used to obtain functions that contain the effects of laminate heterogeneity and asymmetry on the variations of the inplane displacements and transverse shearing stresses, for use with a {3, 0} plate theory in which these distributions are specified apriori. The functions used for the enrichment are based on the improved zig-zag plate theory presented recently by Tessler, Di Scuva, and Gherlone. With the approach presented herein, the inplane displacements are represented by a set of continuous piecewise-cubic functions, and the transverse shearing stresses and strains are represented by a set of piecewise-quadratic functions that are discontinuous at the ply interfaces.

  18. Prediction of Composite Laminate Strength Properties Using a Refined Zigzag Plate Element

    NASA Technical Reports Server (NTRS)

    Barut, Atila; Madenci, Erdogan; Tessler, Alexander

    2013-01-01

    This study presents an approach that uses the refined zigzag element, RZE(exp2,2) in conjunction with progressive failure criteria to predict the ultimate strength of composite laminates based on only ply-level strength properties. The methodology involves four major steps: (1) Determination of accurate stress and strain fields under complex loading conditions using RZE(exp2,2)-based finite element analysis, (2) Determination of failure locations and failure modes using the commonly accepted Hashin's failure criteria, (3) Recursive degradation of the material stiffness, and (4) Non-linear incremental finite element analysis to obtain stress redistribution until global failure. The validity of this approach is established by considering the published test data and predictions for (1) strength of laminates under various off-axis loading, (2) strength of laminates with a hole under compression, and (3) strength of laminates with a hole under tension.

  19. Two-dimensional thermography image retrieval from zig-zag scanned data with TZ-SCAN

    NASA Astrophysics Data System (ADS)

    Okumura, Hiroshi; Yamasaki, Ryohei; Arai, Kohei

    2008-10-01

    TZ-SCAN is a simple and low cost thermal imaging device which consists of a single point radiation thermometer on a tripod with a pan-tilt rotator, a DC motor controller board with a USB interface, and a laptop computer for rotator control, data acquisition, and data processing. TZ-SCAN acquires a series of zig-zag scanned data and stores the data as CSV file. A 2-D thermal distribution image can be retrieved by using the second quefrency peak calculated from TZ-SCAN data. An experiment is conducted to confirm the validity of the thermal retrieval algorithm. The experimental result shows efficient accuracy for 2-D thermal distribution image retrieval.

  20. Ab-initio study of structural, electronic, and transport properties of zigzag GaP nanotubes.

    PubMed

    Srivastava, Anurag; Jain, Sumit Kumar; Khare, Purnima Swarup

    2014-03-01

    Stability and electronic properties of zigzag (3 ≤ n ≤ 16) gallium phosphide nanotubes (GaP NTs) have been analyzed by employing a systematic ab-intio approach based on density functional theory using generalized gradient approximation with revised Perdew Burke Ernzerhoff type parameterization. Diameter dependence of bond length, buckling, binding energy, and band gap has been investigated and the analysis shows that the bond length and buckling decreases with increasing diameter of the tube, highest binding energy of (16, 0) confirms this as the most stable amongst all the NTs taken into consideration. The present GaP NTs shows direct band gap and it increases with diameter of the tubes. Using a two probe model for (4, 0) NT the I-V relationship shows an exponential increase in current on applying bias voltage beyond 1.73 volt.

  1. Effects of an electric field on the electronic and optical properties of zigzag boron nitride nanotubes

    NASA Astrophysics Data System (ADS)

    Chegel, Raad; Behzad, Somayeh

    2011-02-01

    We have investigated the electro-optical properties of zigzag BNNTs, under an external electric field, using the tight binding approximation. It is found that an electric field modifies the band structure and splits the band degeneracy. Also the large electric strength leads to coupling the neighbor subbands which these effects reflect in the DOS and JDOS spectrum. It has been shown that, unlike CNTs, the band gap of BNNTs can be reduced linearly by applying a transverse external electric field. Also we show that the larger diameter tubes are more sensitive than small ones. The semiconducting metallic transition can be achieved through increasing the applied fields. The number and position of peaks in the JDOS spectrum are dependent on electric field strength. It is found that at a high electric field, the two lowest subbands are oscillatory with multiple nodes at the Fermi level.

  2. Study on the Electronic Transport Properties of Zigzag GaN Nanotubes

    NASA Astrophysics Data System (ADS)

    Li, Enling; Wang, Xiqiang; Hou, Liping; Zhao, Danna; Dai, Yuanbin; Wang, Xuewen

    2011-02-01

    The electronic transport properties of zigzag GaN nanotubes (n, 0) (4 <= n <= 9) have been calculated using the density functional theory and non-equilibrium Green's functions method. Firstly, the density functional theory (DFT) is used to optimize and calculate the electronic structure of GaNNTs (n, 0) (4<=n<=9). Secondly, DFT and non-equilibrium Green function (NEGF) method are also used to predict the electronic transport properties of GaNNTs two-probe system. The results showed: there is a corresponding relation between the electronic transport properties and the valley of state density of each GaNNT. In addition, the volt-ampere curve of GaNNT is approximately linear.

  3. Novel Design for Centrifugal Countercurrent Chromatography: II. Studies on Novel Geometries of Zigzag Toroidal Tubing

    PubMed Central

    Yang, Yi; Aisa, Haji Akber; Ito, Yoichiro

    2009-01-01

    The toroidal column using a zigzag pattern has been improved in both retention of the stationary phase and peak resolution. To further improve the retention of stationary phase and peak resolution, a series of novel geometric designs of tubing (plain, mid-clamping, flattened and flat-twisted tubing) was evaluated their performance in CCC. The results showed that the tubing which was flattened vertically against centrifugal force (vert-flattened tubing) produced the best peak resolution among them. Using vert-flattened tubing a series of experiments was performed to study the effects of column capacity and sample size. The results indicated that a 0.25 ml capacity column is ideal for analysis of small amount samples. PMID:20454530

  4. Application of silicon zig-zag wall arrays for anodes of Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Li, G. V.; Rumyantsev, A. M.; Levitskii, V. S.; Beregulin, E. V.; Zhdanov, V. V.; Terukov, E. I.; Astrova, E. V.

    2016-01-01

    Cyclic tests of anodes based on zigzag wall arrays fabricated by the electrochemical etching and post-anodization treatment of silicon have been performed. Compared with anodes based on nanowires and planar thin films, these structures have several advantages. An ex situ analysis of the morphology and structural transformations in a material subjected to cyclic lithiation was conducted by electron microscopy and micro-Raman spectroscopy. The effect of geometrical parameters and a cycling mode on the degradation rate was studied. It is shown that a significant rise in the cycle life of the anode can be obtained by the restriction of the inserted amount of lithium. The anode, subjected to galvanostatic cycling at a rate C/2.8 at a limited charge capacity of 1000 mA · h g-1, demonstrates no degradation after 1200 cycles.

  5. Electronic structure and transport properties of zigzag MoS2 nanoribbons

    NASA Astrophysics Data System (ADS)

    Sharma, Uma Shankar; Shah, Rashmi; Mishra, Pankaj Kumar

    2018-05-01

    In present study, electronic and transport properties of the 8zigzag MoS2 nanoribbons (8ZMoS2NRs) are investigated using ab-initio density functional theory [DFT]. The calculations were performed using nonequilibrium Green's function (NEGF) formalism based on DFT as implemented in the TranSiesta code. Results show that the defect can introduces few extra states into the energy gap, which lead nanoribbons to reveal a metallic characteristic. The voltage-current (VI) graph of 8ZMoS2NRs show a threshold current increases after introducing Mo defect in the devices. when introducing a Mo vacancy under low biases, the current will be suppressed—whereas under high biases, the current through the defected 8ZMoS2NRs will increases rapidly, due to the other channel being opened, that make possibility of 8ZMoS2NRs application in electronic devices such as voltage regulation.

  6. Dense zig-zag microstructures in YSZ thin films by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Stender, Dieter; Schäuble, Nina; Weidenkaff, Anke; Montagne, Alex; Ghisleni, Rudy; Michler, Johann; Schneider, Christof W.; Wokaun, Alexander; Lippert, Thomas

    2015-01-01

    The very brittle oxygen ion conductor yttria stabilized zirconia (YSZ) is a typical solid electrolyte for miniaturized thin film fuel cells. In order to decrease the fuel cell operating temperature, the thickness of yttria stabilized zirconia thin films is reduced. Often, these thin membranes suffer from mechanical failure and gas permeability. To improve these mechanical issues, a glancing angle deposition approach is used to grow yttria stabilized zirconia thin films with tilted columnar structures. Changes of the material flux direction during the deposition result in a dense, zigzag-like structure with columnar crystallites. This structure reduces the elastic modulus of these membranes as compared to columnar yttria stabilized zirconia thin films as monitored by nano-indentation which makes them more adaptable to applied stress.

  7. Frustrated quantum magnetism in the Kondo lattice on the zigzag ladder

    NASA Astrophysics Data System (ADS)

    Peschke, Matthias; Rausch, Roman; Potthoff, Michael

    2018-03-01

    The interplay between the Kondo effect, indirect magnetic interaction, and geometrical frustration is studied in the Kondo lattice on the one-dimensional zigzag ladder. Using the density-matrix renormalization group, the ground-state and various short- and long-range spin- and density-correlation functions are calculated for the model at half filling as a function of the antiferromagnetic Kondo interaction down to J =0.3 t , where t is the nearest-neighbor hopping on the zigzag ladder. Geometrical frustration is shown to lead to at least two critical points: Starting from the strong-J limit, where almost local Kondo screening dominates and where the system is a nonmagnetic Kondo insulator, antiferromagnetic correlations between nearest-neighbor and next-nearest-neighbor local spins become stronger and stronger, until at Jcdim≈0.89 t frustration is alleviated by a spontaneous breaking of translational symmetry and a corresponding transition to a dimerized state. This is characterized by antiferromagnetic correlations along the legs and by alternating antiferro- and ferromagnetic correlations on the rungs of the ladder. A mechanism of partial Kondo screening that has been suggested for the Kondo lattice on the two-dimensional triangular lattice is not realized in the one-dimensional case. Furthermore, within the symmetry-broken dimerized state, there is a magnetic transition to a 90∘ quantum spin spiral with quasi-long-range order at Jcmag≈0.84 t . The quantum-critical point is characterized by a closure of the spin gap (with decreasing J ) and a divergence of the spin-correlation length and of the spin-structure factor S (q ) at wave vector q =π /2 . This is opposed to the model on the one-dimensional bipartite chain, which is known to have a finite spin gap for all J >0 at half filling.

  8. On the zigzagging causility model of EPR correlations and on the interpretation of quantum mechanics

    NASA Astrophysics Data System (ADS)

    de Beauregard, O. Costa

    1988-09-01

    Being formalized inside the S-matrix scheme, the zigzagging causility model of EPR correlations has full Lorentz and CPT invariance. EPR correlations, proper or reversed, and Wheeler's smoky dragon metaphor are respectively pictured in spacetime or in the momentum-energy space, as V-shaped, A-shaped, or C-shaped ABC zigzags, with a summation at B over virtual states |B>

  9. Tight binding simulation study on zigzag single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Sharma, Deepa; Jaggi, Neena; Gupta, Vishu

    2018-01-01

    Tight binding simulation studies using the density functional tight binding (DFTB) model have been performed on various zigzag single-walled carbon-nanotubes (SWCNTs) to investigate their electronic properties using DFTB module of the Material Studio Software version 7.0. Various combinations of different eigen-solvers and charge mixing schemes available in the DFTB Module have been tried to chalk out the electronic structure. The analytically deduced values of the bandgap of (9, 0) SWCNT were compared with the experimentally determined value reported in the literature. On comparison, it was found that the tight binding approximations tend to drastically underestimate the bandgap values. However, the combination of Anderson charge mixing method with standard eigensolver when implemented using the smart algorithm was found to produce fairly close results. These optimized model parameters were then used to determine the band structures of various zigzag SWCNTs. (9, 0) Single-walled Nanotube which is extensively being used for sensing NH3, CH4 and NO2 has been picked up as a reference material since its experimental bandgap value has been reported in the literature. It has been found to exhibit a finite energy bandgap in contrast to its expected metallic nature. The study is of utmost significance as it not only probes and validates the simulation route for predicting suitable properties of nanomaterials but also throws light on the comparative efficacy of the different approximation and rationalization quantum mechanical techniques used in simulation studies. Such simulation studies if used intelligently prove to be immensely useful to the material scientists as they not only save time and effort but also pave the way to new experiments by making valuable predictions.

  10. A structural insight into mechanical strength of graphene-like carbon and carbon nitride networks

    NASA Astrophysics Data System (ADS)

    Rahaman, Obaidur; Mortazavi, Bohayra; Dianat, Arezoo; Cuniberti, Gianaurelio; Rabczuk, Timon

    2017-02-01

    Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship between its structure and strength. In the present study, we investigate the mechanical properties of eight different carbon-based 2D nanomaterials by performing extensive density functional theory calculations. The considered structures were just recently either experimentally synthesized or theoretically predicted. The corresponding stress-strain curves and elastic moduli are reported. They can be useful in training force field parameters for large scale simulations. A comparative analysis of these results revealed a direct relationship between atomic density per area and elastic modulus. Furthermore, for the networks that have an armchair and a zigzag orientation, we observed that they were more stretchable in the zigzag direction than the armchair direction. A critical analysis of the angular distributions and radial distribution functions suggested that it could be due to the higher ability of the networks to suppress the elongations of the bonds in the zigzag direction by deforming the bond angles. The structural interpretations provided in this work not only improve the general understanding of a 2D material’s strength but also enables us to rationally design them for higher qualities.

  11. Magnetic, electronic and optical properties of different graphene, BN and BC2N nanoribbons

    NASA Astrophysics Data System (ADS)

    Guerra, T.; Leite, L.; Azevedo, S.; de Lima Bernardo, B.

    2017-04-01

    Graphene nanoribbons are predicted to be essential components in future nanoelectronics. The size, edge type, form, arrangement of atoms and width of nanoribbons drastically change their properties. However, magnetic, electronic and optical properties of armchair, chevron and sawtooth of graphene, BN and BC2N nanoribbons are not fully understood so far. Here, we make use of first-principles calculations based on the density functional theory (DFT) to investigate the structural, magnetic, electronic and optical properties of nanoribbons of graphene, boron nitride and BC2N with armchair edge, chevron-type and sawtooth forms. The lowest formation energies were found for the armchair and chevron nanoribbons of graphene and boron nitride. We have shown that the imbalance of carbon atoms between different sublattices generates a net magnetic moment. Chevron-type nanoribbons of BC2N and graphene showed a band gap comparable with silicon, and a high light absorption in the visible spectrum when compared to the other configurations.

  12. Chiral anomaly and anomalous finite-size conductivity in graphene

    NASA Astrophysics Data System (ADS)

    Shen, Shun-Qing; Li, Chang-An; Niu, Qian

    2017-09-01

    Graphene is a monolayer of carbon atoms packed into a hexagon lattice to host two spin degenerate pairs of massless two-dimensional Dirac fermions with different chirality. It is known that the existence of non-zero electric polarization in reduced momentum space which is associated with a hidden chiral symmetry will lead to the zero-energy flat band of a zigzag nanoribbon and some anomalous transport properties. Here it is proposed that the Adler-Bell-Jackiw chiral anomaly or non-conservation of chiral charges of Dirac fermions at different valleys can be realized in a confined ribbon of finite width, even in the absence of a magnetic field. In the laterally diffusive regime, the finite-size correction to conductivity is always positive and is inversely proportional to the square of the lateral dimension W, which is different from the finite-size correction inversely proportional to W from the boundary modes. This anomalous finite-size conductivity reveals the signature of the chiral anomaly in graphene, and it is measurable experimentally. This finding provides an alternative platform to explore the purely quantum mechanical effect in graphene.

  13. Resistivity of Rotated Graphite-Graphene Contacts.

    PubMed

    Chari, Tarun; Ribeiro-Palau, Rebeca; Dean, Cory R; Shepard, Kenneth

    2016-07-13

    Robust electrical contact of bulk conductors to two-dimensional (2D) material, such as graphene, is critical to the use of these 2D materials in practical electronic devices. Typical metallic contacts to graphene, whether edge or areal, yield a resistivity of no better than 100 Ω μm but are typically >10 kΩ μm. In this Letter, we employ single-crystal graphite for the bulk contact to graphene instead of conventional metals. The graphite contacts exhibit a transfer length up to four-times longer than in conventional metallic contacts. Furthermore, we are able to drive the contact resistivity to as little as 6.6 Ω μm(2) by tuning the relative orientation of the graphite and graphene crystals. We find that the contact resistivity exhibits a 60° periodicity corresponding to crystal symmetry with additional sharp decreases around 22° and 39°, which are among the commensurate angles of twisted bilayer graphene.

  14. Chemically doped three-dimensional porous graphene monoliths for high-performance flexible field emitters.

    PubMed

    Kim, Ho Young; Jeong, Sooyeon; Jeong, Seung Yol; Baeg, Kang-Jun; Han, Joong Tark; Jeong, Mun Seok; Lee, Geon-Woong; Jeong, Hee Jin

    2015-03-12

    Despite the recent progress in the fabrication of field emitters based on graphene nanosheets, their morphological and electrical properties, which affect their degree of field enhancement as well as the electron tunnelling barrier height, should be controlled to allow for better field-emission properties. Here we report a method that allows the synthesis of graphene-based emitters with a high field-enhancement factor and a low work function. The method involves forming monolithic three-dimensional (3D) graphene structures by freeze-drying of a highly concentrated graphene paste and subsequent work-function engineering by chemical doping. Graphene structures with vertically aligned edges were successfully fabricated by the freeze-drying process. Furthermore, their number density could be controlled by varying the composition of the graphene paste. Al- and Au-doped 3D graphene emitters were fabricated by introducing the corresponding dopant solutions into the graphene sheets. The resulting field-emission characteristics of the resulting emitters are discussed. The synthesized 3D graphene emitters were highly flexible, maintaining their field-emission properties even when bent at large angles. This is attributed to the high crystallinity and emitter density and good chemical stability of the 3D graphene emitters, as well as to the strong interactions between the 3D graphene emitters and the substrate.

  15. Applications of Nanostructured Graphene in Optoelectronics as Transparent Conductors and Photodetectors

    NASA Astrophysics Data System (ADS)

    Xu, Guowei

    Graphene, a single layer of carbon atoms arranged in a hexagonal lattice, has unique properties of high carrier mobility, high optical transmittance, chemical inertness and flexibility, making it attractive for electronic and optoelectronic applications, such as graphene transistors, ultrahigh capacitors, transparent conductors (TCs), photodetectors. This work explores novel schemes of nanostructured graphene for optoelectronic applications including advanced TCs and photodetectors. In nanophotonic graphene nanohole arrays patterned using nanoimprinting lithography (NIL), highly efficient chemical doping was achieved on the hole edges. This provides a unique scheme for improving both optical transmittance and electrical conductivity of graphene-based TCs. In plasmonic graphene, Ag nanoparticles were decorated on graphene using thermally assisted self-assembly and NIL. Much enhanced conductivity by a factor of 2-4 was achieved through electron doping in graphene from Ag nanoparticles. More importantly, surface plasmonic effect has been incorporated into plasmonic graphene as advanced TCs with light trapping, which is critical to ultrathin-film optoelectronics such as photovoltaics and photodetectors. Based on plasmonic graphene electric double-layer (EDL) transistor, a novel scheme of photodetection has been demonstrated using plasmonic enhanced local field gating. The resulting tuning of interfacial capacitance as well as the quantum capacitance of graphene manifested as extraordinary photoconductivity and hence photoresponse.

  16. Investigation of the graphene-electrolyte interface in Li-air batteries: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Pavlov, S. V.; Kislenko, S. A.

    2018-01-01

    In this work the behavior of the main reactants (Li+, O2) of the oxygen reduction reaction (ORR) in acetonitrile solvent near the multi-layer graphene edge has been studied. It was observed by molecular dynamics simulations that the concentration distributions of the Li+ and O2 represent a “chessboard” structure. It was ascertained that the concentrations of the lithium ions and oxygen molecules reach their maximum values near the graphene edges pushed out from the surface, which may act as nucleation centers for the formation of crystalline products of the ORR. The maps of the free energy were estimated for the Li+ and O2. Energy optimal trajectories for the adsorption of oxygen molecules and lithium ions were found. Moreover, the distributions of the electric potential were obtained near the following carbon surfaces: single- and multi-layer graphene edge, graphene plane, which shows the qualitative differences in the double-layer structure.

  17. Investigation of Supercurrent in the Quantum Hall Regime in Graphene Josephson Junctions

    NASA Astrophysics Data System (ADS)

    Draelos, Anne W.; Wei, Ming Tso; Seredinski, Andrew; Ke, Chung Ting; Mehta, Yash; Chamberlain, Russell; Watanabe, Kenji; Taniguchi, Takashi; Yamamoto, Michihisa; Tarucha, Seigo; Borzenets, Ivan V.; Amet, François; Finkelstein, Gleb

    2018-06-01

    In this study, we examine multiple encapsulated graphene Josephson junctions to determine which mechanisms may be responsible for the supercurrent observed in the quantum Hall (QH) regime. Rectangular junctions with various widths and lengths were studied to identify which parameters affect the occurrence of QH supercurrent. We also studied additional samples where the graphene region is extended beyond the contacts on one side, making that edge of the mesa significantly longer than the opposite edge. This is done in order to distinguish two potential mechanisms: (a) supercurrents independently flowing along both non-contacted edges of graphene mesa, and (b) opposite sides of the mesa being coupled by hybrid electron-hole modes flowing along the superconductor/graphene boundary. The supercurrent appears suppressed in extended junctions, suggesting the latter mechanism.

  18. Tuning electronic properties of graphene nanoflake polyaromatic hydrocarbon through molecular charge-transfer interactions

    NASA Astrophysics Data System (ADS)

    Sharma, Vaishali; Dabhi, Shweta D.; Shinde, Satyam; Jha, Prafulla K.

    2018-05-01

    By means of first principles calculation we have tuned the electronic properties of graphene nanoflake polyaromatic hydrocarbon via molecular charge transfer. Acceptor/donor Tetracyanoquinodimethane (TCNQ) and Tetrathiafulvalene (TTF) organic molecules are adsorbed on polyaromatic hydrocarbons (PAH) in order to introduce the charge transfer. The substrate's n- or p- type nature depends on the accepting/donating behavior of dopant molecules. Two different classes of PAH (extended form of triangulene) namely Bow-tie graphene nanoflake (BTGNF) and triangular zigzag graphene nanoflake (TZGNF). It is revealed that all the TCNQ and TTF modified graphene nanoflakes exhibit significant changes in HOMO-LUMO gap in range from 0.58 eV to 0.64 eV and 0.01 eV to 0.05 eV respectively. The adsorption energies are in the range of -0.05 kcal/mol to -2.6 kcal/mol. The change in work function is also calculated and discussed, the maximum charge transfer is for TCNQ adsorbed BTGNF. These alluring findings in the tuning of electronic properties will be advantageous for promoting graphene nanoflake polyaromatic hydrocarbon for their applications in electronic devices.

  19. Porous graphene-based membranes for water purification from metal ions at low differential pressures.

    PubMed

    Park, Jaewoo; Bazylewski, Paul; Fanchini, Giovanni

    2016-05-14

    A new generation of membranes for water purification based on weakly oxidized and nanoporous few-layer graphene is here introduced. These membranes dramatically decrease the high energy requirements of water purification by reverse osmosis. They combine the advantages of porous and non-oxidized single-layer graphene, offering energy-efficient water filtration at relatively low differential pressures, and highly oxidized graphene oxide, exhibiting high performance in terms of impurity adsorption. In the reported fabrication process, leaks between juxtaposed few-layer graphene flakes are sealed by thermally annealed colloidal silica, in a treatment that precedes the opening of (sub)nanometre-size pores in graphene. This process, explored for the first time in this work, results in nanoporous graphene flakes that are water-tight at the edges without occluding the (sub)nanopores. With this method, removal of impurities from water occurs through a combination of size-based pore rejection and pore-edge adsorption. Thinness of graphene flakes allows these membranes to achieve water purification from metal ions in concentrations of few parts-per-million at differential pressures as low as 30 kPa, outperforming existing graphene or graphene oxide purification systems with comparable flow rates.

  20. Porous graphene-based membranes for water purification from metal ions at low differential pressures

    NASA Astrophysics Data System (ADS)

    Park, Jaewoo; Bazylewski, Paul; Fanchini, Giovanni

    2016-05-01

    A new generation of membranes for water purification based on weakly oxidized and nanoporous few-layer graphene is here introduced. These membranes dramatically decrease the high energy requirements of water purification by reverse osmosis. They combine the advantages of porous and non-oxidized single-layer graphene, offering energy-efficient water filtration at relatively low differential pressures, and highly oxidized graphene oxide, exhibiting high performance in terms of impurity adsorption. In the reported fabrication process, leaks between juxtaposed few-layer graphene flakes are sealed by thermally annealed colloidal silica, in a treatment that precedes the opening of (sub)nanometre-size pores in graphene. This process, explored for the first time in this work, results in nanoporous graphene flakes that are water-tight at the edges without occluding the (sub)nanopores. With this method, removal of impurities from water occurs through a combination of size-based pore rejection and pore-edge adsorption. Thinness of graphene flakes allows these membranes to achieve water purification from metal ions in concentrations of few parts-per-million at differential pressures as low as 30 kPa, outperforming existing graphene or graphene oxide purification systems with comparable flow rates.

  1. Tunable electronic properties of CdS nanoribbons by edge effects

    NASA Astrophysics Data System (ADS)

    Ma, Ruican; Zhao, Hui; Wang, Yaping; Ji, Weixiao; Li, Ping

    2017-08-01

    Based on first-principles calculations, the electronic properties of Cadmium Sulfide nanoribbons (CdSNRs) have been studied with both zigzag (Z-CdSNRs) and armchair shaped edges (A-CdSNRs). For Z-CdSNRs, the structures with both edges decorated by H or F atoms show half-metallic or semiconducting properties, respectively. Only S-dominated edge decorated by H/F atoms, Z-CdSNRs show metallic properties. Only Cd-dominated edge is hydrogenated, Z-CdSNRs can be observed from a metallic to half metallic transition. But instead of fluorinated, the structures show the metallic properties. However, either edge or both edges are hydrogenated or fluorinated, A-CdSNRs exhibit semiconducting properties, and their band gap decreases monotonically with increasing ribbons width (n). When a stress is applied on the half-hydrogenated A-CdSNRs, their band gap displays a steady decrease trend. Moreover, A-CdSNRs are more stable than Z-CdSNRs, while the hydrogenated systems are more stable than fluorinated systems. The results show that different structures of CdSNRs decorated with the different edges can play different nature as semiconducting - half-metallic - metallic properties. The research has important theoretical significance for the electronic design and assembly of CdSNRs structures, and provides a new perspective for the potential application of CdSNRs in nanoelectronics.

  2. Quasiparticle Energies and Band Gaps in Graphene Nanoribbons

    NASA Astrophysics Data System (ADS)

    Yang, Li; Park, Cheol-Hwan; Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.

    2007-11-01

    We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5 3.0 eV for ribbons of width 2.4 0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.

  3. Generation of valley-polarized electron beam in bilayer graphene

    NASA Astrophysics Data System (ADS)

    Park, Changsoo

    2015-12-01

    We propose a method to produce valley-polarized electron beams using a bilayer graphene npn junction. By analyzing the transmission properties of electrons through the junction with zigzag interface in the presence of trigonal warping, we observe that there exist a range of incident energies and barrier heights in which transmitted electrons are well polarized and collimated. From this observation and by performing numerical simulations, it is demonstrated that valley-dependent electronic currents with nearly perfect polarization can be generated. We also show that the peak-to-peak separation angle between the polarized currents is tunable either by incident energy or by barrier height each of which is controlled by using top and back gate voltages. The results can be used for constructing an electron beam splitter to produce valley-polarized currents.

  4. Conductance signatures of electron confinement induced by strained nanobubbles in graphene

    NASA Astrophysics Data System (ADS)

    Bahamon, Dario A.; Qi, Zenan; Park, Harold S.; Pereira, Vitor M.; Campbell, David K.

    2015-09-01

    We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of states, and current density of zigzag or armchair graphene nanoribbons are modified by the presence of a nanobubble. In particular, we establish that low-energy electrons can be confined in the vicinity of or within the nanobubbles by the delicate interplay among the pseudomagnetic field pattern created by the shape of the bubble, mode mixing, and substrate interaction. The coupling between confined evanescent states and propagating modes can be enhanced under different clamping conditions, which translates into Fano resonances in the conductance traces.

  5. Spin Seebeck Effect and Thermal Colossal Magnetoresistance in Graphene Nanoribbon Heterojunction

    PubMed Central

    Ni, Yun; Yao, Kailun; Fu, Huahua; Gao, Guoying; Zhu, Sicong; Wang, Shuling

    2013-01-01

    Spin caloritronics devices are very important for future development of low-power-consumption technology. We propose a new spin caloritronics device based on zigzag graphene nanoribbon (ZGNR), which is a heterojunction consisting of single-hydrogen-terminated ZGNR (ZGNR-H) and double-hydrogen-terminated ZGNR (ZGNR-H2). We predict that spin-up and spin-down currents flowing in opposite directions can be induced by temperature difference instead of external electrical bias. The thermal spin-up current is considerably large and greatly improved compared with previous work in graphene. Moreover, the thermal colossal magnetoresistance is obtained in our research, which could be used to fabricate highly-efficient spin caloritronics MR devices. PMID:23459307

  6. The Edge, Fall 1999.

    ERIC Educational Resources Information Center

    Edge, 1999

    1999-01-01

    "The Edge" is a Canadian publication for youth. The mandate of the Edge is to support and celebrate all career journeys embraced by youth. This issue contains career profile articles covering three jobs: crane operator, indoor climbing instructor, and product certification tester. Career trends and the state of today's workplace are also…

  7. Supersonic Leading Edge Receptivity

    NASA Technical Reports Server (NTRS)

    Maslov, Anatoly A.

    1998-01-01

    This paper describes experimental studies of leading edge boundary layer receptivity for imposed stream disturbances. Studies were conducted in the supersonic T-325 facility at ITAM and include data for both sharp and blunt leading edges. The data are in agreement with existing theory and should provide guidance for the development of more complete theories and numerical computations of this phenomena.

  8. Imaging electron flow from collimating contacts in graphene

    NASA Astrophysics Data System (ADS)

    Bhandari, S.; Lee, G. H.; Watanabe, K.; Taniguchi, T.; Kim, P.; Westervelt, R. M.

    2018-04-01

    The ballistic motion of electrons in graphene opens exciting opportunities for electron-optic devices based on collimated electron beams. We form a collimating contact in a hBN-encapsulated graphene hall bar by adding zigzag contacts on either side of an electron emitter that absorb stray electrons; collimation can be turned off by floating the zig-zag contacts. The electron beam is imaged using a liquid-He cooled scanning gate microscope (SGM). The tip deflects electrons as they pass from the collimating contact to a receiving contact on the opposite side of the channel, and an image of electron flow can be made by displaying the change in transmission as the tip is raster scanned across the sample. The angular half width Δθ of the electron beam is found by applying a perpendicular magnetic field B that bends electron paths into cyclotron orbits. The images reveal that the electron flow from the collimating contact drops quickly at B  =  0.05 T when the electron orbits miss the receiving contact. The flow for the non-collimating case persists longer, up to B  =  0.19 T, due to the broader range of entry angles. Ray-tracing simulations agree well with the experimental images. By fitting the fields B at which the magnitude of electron flow drops in the experimental SGM images, we find Δθ  =  9° for electron flow from the collimating contact, compared with Δθ  =  54° for the non-collimating case.

  9. Enhanced response and sensitivity of self-corrugated graphene sensors with anisotropic charge distribution

    PubMed Central

    Yol Jeong, Seung; Jeong, Sooyeon; Won Lee, Sang; Tae Kim, Sung; Kim, Daeho; Jin Jeong, Hee; Tark Han, Joong; Baeg, Kang-Jun; Yang, Sunhye; Seok Jeong, Mun; Lee, Geon-Woong

    2015-01-01

    We introduce a high-performance molecular sensor using self-corrugated chemically modified graphene as a three dimensional (3D) structure that indicates anisotropic charge distribution. This is capable of room-temperature operation, and, in particular, exhibiting high sensitivity and reversible fast response with equilibrium region. The morphology consists of periodic, “cratered” arrays that can be formed by condensation and evaporation of graphene oxide (GO) solution on interdigitated electrodes. Subsequent hydrazine reduction, the corrugated edge area of the graphene layers have a high electric potential compared with flat graphene films. This local accumulation of electrons interacts with a large number of gas molecules. The sensitivity of 3D-graphene sensors significantly increases in the atmosphere of NO2 gas. The intriguing structures have several advantages for straightforward fabrication on patterned substrates, high-performance graphene sensors without post-annealing process. PMID:26053892

  10. The nature of the Fe–graphene interface at the nanometer level

    DOE PAGES

    Cattelan, M.; Peng, G. W.; Cavaliere, E.; ...

    2014-12-22

    The emerging fields of graphene-based magnetic and spintronic devices require a deep understanding of the interface between graphene and ferromagnetic metals. This paper reports a detailed investigation at the nanometer level of the Fe–graphene interface carried out by angle-resolved photoemission, high-resolution photoemission from core levels, near edge X-ray absorption fine structure, scanning tunnelling microscopy and spin polarized density functional theory calculations. Quasi-free-standing graphene was grown on Pt(111), and the iron film was either deposited atop or intercalated beneath graphene. Here, calculations and experimental results show that iron strongly modifies the graphene band structure and lifts its π band spin degeneracy.

  11. Contact resistance improvement by the modulation of peripheral length to area ratio of graphene contact pattern

    SciTech Connect

    Cho, Chunhum; Lee, Sangchul; Lee, Sang Kyung

    2015-05-25

    High contact resistance between graphene and metal is a major huddle for high performance electronic device applications of graphene. In this work, a method to improve the contact resistance of graphene is investigated by varying the ratio of peripheral length and area of graphene pattern under a metal contact. The contact resistance decreased to 0.8 kΩ·μm from 2.1 kΩ·μm as the peripheral length increased from 312 to 792 μm. This improvement is attributed to the low resistivity of edge-contacted graphene, which is 8.1 × 10{sup 5} times lower than that of top-contacted graphene.

  12. Quantum Hall effect in epitaxial graphene with permanent magnets.

    PubMed

    Parmentier, F D; Cazimajou, T; Sekine, Y; Hibino, H; Irie, H; Glattli, D C; Kumada, N; Roulleau, P

    2016-12-06

    We have observed the well-kown quantum Hall effect (QHE) in epitaxial graphene grown on silicon carbide (SiC) by using, for the first time, only commercial NdFeB permanent magnets at low temperature. The relatively large and homogeneous magnetic field generated by the magnets, together with the high quality of the epitaxial graphene films, enables the formation of well-developed quantum Hall states at Landau level filling factors v = ±2, commonly observed with superconducting electro-magnets. Furthermore, the chirality of the QHE edge channels can be changed by a top gate. These results demonstrate that basic QHE physics are experimentally accessible in graphene for a fraction of the price of conventional setups using superconducting magnets, which greatly increases the potential of the QHE in graphene for research and applications.

  13. Topological Anisotropy of Stone-Wales Waves in Graphenic Fragments

    PubMed Central

    Ori, Ottorino; Cataldo, Franco; Putz, Mihai V.

    2011-01-01

    Stone-Wales operators interchange four adjacent hexagons with two pentagon-heptagon 5|7 pairs that, graphically, may be iteratively propagated in the graphene layer, originating a new interesting structural defect called here Stone-Wales wave. By minimization, the Wiener index topological invariant evidences a marked anisotropy of the Stone-Wales defects that, topologically, are in fact preferably generated and propagated along the diagonal of the graphenic fragments, including carbon nanotubes and graphene nanoribbons. This peculiar edge-effect is shown in this paper having a predominant topological origin, leaving to future experimental investigations the task of verifying the occurrence in nature of wave-like defects similar to the ones proposed here. Graph-theoretical tools used in this paper for the generation and the propagation of the Stone-Wales defects waves are applicable to investigate isomeric modifications of chemical structures with various dimensionality like fullerenes, nanotubes, graphenic layers, schwarzites, zeolites. PMID:22174641

  14. Graphene-based membranes.

    PubMed

    Liu, Gongping; Jin, Wanqin; Xu, Nanping

    2015-08-07

    Graphene is a well-known two-dimensional material that exhibits preeminent electrical, mechanical and thermal properties owing to its unique one-atom-thick structure. Graphene and its derivatives (e.g., graphene oxide) have become emerging nano-building blocks for separation membranes featuring distinct laminar structures and tunable physicochemical properties. Extraordinary molecular separation properties for purifying water and gases have been demonstrated by graphene-based membranes, which have attracted a huge surge of interest during the past few years. This tutorial review aims to present the latest groundbreaking advances in both the theoretical and experimental chemical science and engineering of graphene-based membranes, including their design, fabrication and application. Special attention will be given to the progresses in processing graphene and its derivatives into separation membranes with three distinct forms: a porous graphene layer, assembled graphene laminates and graphene-based composites. Moreover, critical views on separation mechanisms within graphene-based membranes will be provided based on discussing the effect of inter-layer nanochannels, defects/pores and functional groups on molecular transport. Furthermore, the separation performance of graphene-based membranes applied in pressure filtration, pervaporation and gas separation will be summarized. This article is expected to provide a compact source of relevant and timely information and will be of great interest to all chemists, physicists, materials scientists, engineers and students entering or already working in the field of graphene-based membranes and functional films.

  15. Graphene oxide electrochemistry: the electrochemistry of graphene oxide modified electrodes reveals coverage dependent beneficial electrocatalysis

    PubMed Central

    Smith, Graham C.

    2017-01-01

    The modification of electrode surfaces is widely implemented in order to try and improve electron transfer kinetics and surface interactions, most recently using graphene related materials. Currently, the use of ‘as is’ graphene oxide (GO) has been largely overlooked, with the vast majority of researchers choosing to reduce GO to graphene or use it as part of a composite electrode. In this paper, ‘as is’ GO is explored and electrochemically characterized using a range of electrochemical redox probes, namely potassium ferrocyanide(II), N,N,N′,N′-tetramethyl-p-phenylenediamine (TMPD), dopamine hydrochloride and epinephrine. Furthermore, the electroanalytical efficacy of GO is explored towards the sensing of dopamine hydrochloride and epinephrine via cyclic voltammetry. The electrochemical response of GO is benchmarked against pristine graphene and edge plane-/basal plane pyrolytic graphite (EPPG and BPPG respectively) alternatives, where the GO shows an enhanced electrochemical/electroanalytical response. When using GO as an electrode material, the electrochemical response of the analytes studied herein deviate from that expected and exhibit altered electrochemical responses. The oxygenated species encompassing GO strongly influence and dominate the observed voltammetry, which is crucially coverage dependent. GO electrocatalysis is observed, which is attributed to the presence of beneficial oxygenated species dictating the response in specific cases, demonstrating potential for advantageous electroanalysis to be realized. Note however, that crucial coverage based regions are observed at GO modified electrodes, owing to the synergy of edge plane sites and oxygenated species. We report the true beneficial electrochemistry of GO, which has enormous potential to be beneficially used in various electrochemical applications ‘as is’ rather than be simply used as a precursor to making graphene and is truly a fascinating member of the graphene family. PMID

  16. Frictional behavior of atomically thin sheets: hexagonal-shaped graphene islands grown on copper by chemical vapor deposition.

    PubMed

    Egberts, Philip; Han, Gang Hee; Liu, Xin Z; Johnson, A T Charlie; Carpick, Robert W

    2014-05-27

    Single asperity friction experiments using atomic force microscopy (AFM) have been conducted on chemical vapor deposited (CVD) graphene grown on polycrystalline copper foils. Graphene substantially lowers the friction force experienced by the sliding asperity of a silicon AFM tip compared to the surrounding oxidized copper surface by a factor ranging from 1.5 to 7 over loads from the adhesive minimum up to 80 nN. No damage to the graphene was observed over this range, showing that friction force microscopy serves as a facile, high contrast probe for identifying the presence of graphene on Cu. Consistent with studies of epitaxially grown, thermally grown, and mechanically exfoliated graphene films, the friction force measured between the tip and these CVD-prepared films depends on the number of layers of graphene present on the surface and reduces friction in comparison to the substrate. Friction results on graphene indicate that the layer-dependent friction properties result from puckering of the graphene sheet around the sliding tip. Substantial hysteresis in the normal force dependence of friction is observed with repeated scanning without breaking contact with a graphene-covered region. Because of the hysteresis, friction measured on graphene changes with time and maximum applied force, unless the tip slides over the edge of the graphene island or contact with the surface is broken. These results also indicate that relatively weak binding forces exist between the copper foil and these CVD-grown graphene sheets.

  17. Spin-dependent delay time and Hartman effect in asymmetrical graphene barrier under strain

    NASA Astrophysics Data System (ADS)

    Sattari, Farhad; Mirershadi, Soghra

    2018-01-01

    We study the spin-dependent tunneling time, including group delay and dwell time, in a graphene based asymmetrical barrier with Rashba spin-orbit interaction in the presence of strain, sandwiched between two normal leads. We find that the spin-dependent tunneling time can be efficiently tuned by the barrier width, and the bias voltage. Moreover, for the zigzag direction strain although the oscillation period of the dwell time does not change, the oscillation amplitude increases by increasing the incident electron angle. It is found that for the armchair direction strain unlike the zigzag direction the group delay time at the normal incidence depends on the spin state of electrons and Hartman effect can be observed. In addition, for the armchair direction strain the spin polarization increases with increasing the RSOI strength and the bias voltage. The magnitude and sign of spin polarization can be manipulated by strain. In particular, by applying an external electric field the efficiency of the spin polarization is improved significantly in strained graphene, and a fully spin-polarized current is generated.

  18. Pre-coalescence scaling of graphene island sizes

    NASA Astrophysics Data System (ADS)

    Das, Shantanu; Drucker, Jeff

    2018-05-01

    Graphene grown using cold-wall chemical vapor deposition on Cu surfaces follows a classical nucleation and growth mechanism. Following nucleation at the earliest growth stages, isolated crystallites grow, impinge, and coalesce to form a continuous layer. During the pre-coalescence growth regime, the size distributions of graphene crystallites exhibit scaling of the form N(s) = θ/⟨s⟩2 g(s/⟨s⟩), where s is the island area, θ is the graphene coverage, ⟨s⟩ is the average island area, N is the areal density, and g(x) is a scaling function. For graphene grown on Cu surfaces that have been annealed in a reducing Ar + H2 ambient, excellent data collapse onto a universal Avrami scaling function is observed irrespective of graphene coverage, surface roughness, or Cu grain size. This result is interpreted to indicate attachment-limited growth and desorption of diffusing C-containing species. Graphene grown on Cu surfaces that were annealed in a non-reducing environment exhibits a qualitatively different scaling function, indicating diffusion-limited growth with a lower attachment barrier combined with C detachment from the graphene edges.

  19. Unraveling the Water Impermeability Discrepancy in CVD-Grown Graphene.

    PubMed

    Kwak, Jinsung; Kim, Se-Yang; Jo, Yongsu; Kim, Na Yeon; Kim, Sung Youb; Lee, Zonghoon; Kwon, Soon-Yong

    2018-06-11

    Graphene has recently attracted particular interest as a flexible barrier film preventing permeation of gases and moistures. However, it has been proved to be exceptionally challenging to develop large-scale graphene films with little oxygen and moisture permeation suitable for industrial uses, mainly due to the presence of nanometer-sized defects of obscure origins. Here, the origins of water permeable routes on graphene-coated Cu foils are investigated by observing the micrometer-sized rusts in the underlying Cu substrates, and a site-selective passivation method of the nanometer-sized routes is devised. It is revealed that nanometer-sized holes or cracks are primarily concentrated on graphene wrinkles rather than on other structural imperfections, resulting in severe degradation of its water impermeability. They are found to be predominantly induced by the delamination of graphene bound to Cu as a release of thermal stress during the cooling stage after graphene growth, especially at the intersection of the Cu step edges and wrinkles owing to their higher adhesion energy. Furthermore, the investigated routes are site-selectively passivated by an electron-beam-induced amorphous carbon layer, thus a substantial improvement in water impermeability is achieved. This approach is likely to be extended for offering novel barrier properties in flexible films based on graphene and on other atomic crystals. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Graphene Synthesis & Graphene/Polymer Nanocomposites

    NASA Astrophysics Data System (ADS)

    Liao, Ken-Hsuan

    We successfully developed a novel, fast, hydrazine-free, high-yield method for producing single-layered graphene. Graphene sheets were formed from graphite oxide by reduction with de-ionized water at 130 ºC. Over 65% of the sheets are single graphene layers. A dehydration reaction of exfoliated graphene oxide was utilized to reduce oxygen and transform C-C bonds from sp3 to sp2. The reduction appears to occur in large uniform interconnected oxygen-free patches so that despite the presence of residual oxygen the sp2 carbon bonds formed on the sheets are sufficient to provide electronic properties comparable to reduced graphene sheets obtained using other methods. Cytotoxicity of aqueous graphene was investigated with Dr. Yu-Shen Lin by measuring mitochondrial activity in adherent human skin fibroblasts using two assays. The methyl-thiazolyl-diphenyl-tetrazolium bromide (MTT) assay, a typical nanotoxicity assay, fails to predict the toxicity of graphene oxide and graphene toxicity because of the spontaneous reduction of MTT by graphene and graphene oxide, resulting in a false positive signal. An appropriate alternate assessment, using the water soluble tetrazolium salt (WST-8) assay, reveals that the compacted graphene sheets are more damaging to mammalian fibroblasts than the less densely packed graphene oxide. Clearly, the toxicity of graphene and graphene oxide depends on the exposure environment (i.e. whether or not aggregation occurs) and mode of interaction with cells (i.e. suspension versus adherent cell types). Ultralow percolation concentration of 0.15 wt% graphene, as determined by surface resistance and modulus, was observed from in situ polymerized thermally reduced graphene (TRG)/ poly-urethane-acrylate (PUA) nanocomposite. A homogeneous dispersion of TRG in PUA was revealed by TEM images. The aspect ratio of dispersed TRG, calculated from percolation concentration and modulus, was found to be equivalent to the reported aspect ratio of single

  1. Electro-optical properties of zigzag and armchair boron nitride nanotubes under a transverse electric field: Tight binding calculations

    NASA Astrophysics Data System (ADS)

    Chegel, Raad; Behzad, Somayeh

    2012-02-01

    The electro-optical properties of zigzag and armchair BNNTs in a uniform transverse electric field are investigated within tight binding approximation. It is found that the electric field modifies the band structure and splits band degeneracy where these effects reflect in the DOS and JDOS spectra. A decrease in the band gap, as a function of the electric field, is observed. This gap reduction increases with the diameter and it is independent of chirality. An analytic function to estimate the electric field needed for band gap closing is proposed which is in good agreement with DFT results. In additional, we show that the larger diameter tubes are more sensitive than small ones. Number and position of peaks in DOS and JDOS spectra for armchair and zigzag tubes with similar radius are dependent on electric field strength.

  2. A New, Simple and Versatile Strategy for the Synthesis of Short Segments of Zigzag-Type Carbon Nanotubes.

    PubMed

    André, Etienne; Boutonnet, Baptiste; Charles, Pauline; Martini, Cyril; Aguiar-Hualde, Juan-Manuel; Latil, Sylvain; Guérineau, Vincent; Hammad, Karim; Ray, Priyanka; Guillot, Régis; Huc, Vincent

    2016-02-24

    Short segments of zigzag single-walled carbon nanotubes (SWCNTs) were obtained from a calixarene scaffold by using a completely new, simple and expedited strategy that allowed fine-tuning of their diameters. This new approach also allows for functionalised short segments of zigzag SWCNTs to be obtained; a prerequisite towards their lengthening. These new SWCNT short segments/calixarene composites show interesting behaviour in solution. DFT analysis of these new compounds also suggests interesting photophysical behaviour. Along with the synthesis of various SWCNTs segments, this approach also constitutes a powerful tool for the construction of new, radially oriented π systems. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Edge-spin-derived magnetism in few-layer MoS2 nanomeshes

    NASA Astrophysics Data System (ADS)

    Kondo, G.; Yokoyama, N.; Yamada, S.; Hashimoto, Y.; Ohata, C.; Katsumoto, S.; Haruyama, J.

    2017-12-01

    Magnetism arising from edge spins is highly interesting, particularly in 2D atomically thin materials in which the influence of edges becomes more significant. Among such materials, molybdenum disulfide (MoS2; one of the transition metal dichalcogenide (TMD) family) is attracting significant attention. The causes for magnetism observed in the TMD family, including in MoS2, have been discussed by considering various aspects, such as pure zigzag atomic-structure edges, grain boundaries, and vacancies. Here, we report the observation of ferromagnetism (FM) in few-layer MoS2 nanomeshes (NMs; honeycomb-like array of hexagonal nanopores with low-contamination and low-defect pore edges), which have been created by a specific non-lithographic method. We confirm robust FM arising from pore edges in oxygen(O)-terminated MoS2-NMs at room temperature, while it disappears in hydrogen(H)-terminated samples. The observed high-sensitivity of FM to NM structures and critical annealing temperatures suggest a possibility that the Mo-atom dangling bond in pore edge is a dominant factor for the FM.

  4. Electron Pair Repulsion Responsible for the Peculiar Edge Effects and Surface Chemistry of Black Phosphorus.

    PubMed

    Kong, Xiang-Peng; Shen, Xiaomei; Jang, Joonkyung; Gao, Xingfa

    2018-03-01

    The electronic and optical properties of black phosphorus (black-P) are significantly modulated by fabricating the edges of this two-dimensional material. Electron lone pairs (ELPs) are ubiquitous in black-P, but their role in creating the edge effects of black-P is poorly understood. Using first-principle calculations, we report ELPs of black-P experience severe Coulomb repulsion and play a central role in creating the edge effects of black-P. We discover the outermost P atoms of the zigzag edges of black-PQDs are free of the Coulomb repulsion, but the P atoms of the armchair edges do experience the Coulomb repulsion. The Coulomb repulsion serves as a new chemical driving force to make electron donor-acceptor bonds with chemical groups bearing vacant orbitals. Our results provide insights into the mechanism responsible for the peculiar edge effects of black-P and highlight the opportunity to use the ELPs of black-P for their damage-free surface functionalization.

  5. Idiosyncratic Findings in Trichoscopy of Tinea Capitis: Comma, Zigzag Hairs, Corkscrew, and Morse Code-like Hair.

    PubMed

    Elghblawi, Ebtisam

    2016-01-01

    Dermoscopy is a method of growing significance in the diagnoses of dermatological pigmented skin diseases. However, in my case, mycology culture was negative and successful treatment was given on the basis of trichoscopy and wood lamp examination. I hereby describe a young boy with tinea capitis, multiple "comma hairs" and "zigzag hair" and a subtle additional feature "Morse code-like hair" when intensification was applied. Dermatoscopic aspects found skin Type 2 in a child of as a distinctive dermoscopic finding.

  6. Transverse discrete breathers in unstrained graphene

    NASA Astrophysics Data System (ADS)

    Barani, Elham; Lobzenko, Ivan P.; Korznikova, Elena A.; Soboleva, Elvira G.; Dmitriev, Sergey V.; Zhou, Kun; Marjaneh, Aliakbar Moradi

    2017-02-01

    Discrete breathers (DB) are spatially localized vibrational modes of large amplitude in defect-free nonlinear lattices. The search for DBs in graphene is of high importance, taking into account that this one atom thick layer of carbon is promising for a number of applications. There exist several reports on successful excitation of DBs in graphene, based on molecular dynamics and ab initio simulations. In a recent work by Hizhnyakov with co-authors the possibility to excite a DB with atoms oscillating normal to the graphene sheet has been reported. In the present study we use a systematic approach for finding initial conditions to excite transverse DBs in graphene. The approach is based on the analysis of the frequency-amplitude dependence for a delocalized, short-wavelength vibrational mode. This mode is a symmetry-dictated exact solution to the dynamic equations of the atomic motion, regardless the mode amplitude and regardless the type of interatomic potentials used in the simulations. It is demonstrated that if the AIREBO potential is used, the mode frequency increases with the amplitude bifurcating from the upper edge of the phonon spectrum for out-of-plane phonons. Then a bell-shaped function is superimposed on this delocalized mode to obtain a spatially localized vibrational mode, i.e., a DB. Placing the center of the bell-shaped function at different positions with respect to the lattice sites, three different DBs are found. Typically, the degree of spatial localization of DBs increases with the DB amplitude, but the transverse DBs in graphene reported here demonstrate the opposite trend. The results are compared to those obtained with the use of the Savin interatomic potential and no transverse DBs are found in this case. The results of this study contribute to a better understanding of the nonlinear dynamics of graphene and they call for the ab initio simulations to verify which of the two potentials used in this study is more precise.

  7. The digital step edge

    NASA Technical Reports Server (NTRS)

    Haralick, R. M.

    1982-01-01

    The facet model was used to accomplish step edge detection. The essence of the facet model is that any analysis made on the basis of the pixel values in some neighborhood has its final authoritative interpretation relative to the underlying grey tone intensity surface of which the neighborhood pixel values are observed noisy samples. Pixels which are part of regions have simple grey tone intensity surfaces over their areas. Pixels which have an edge in them have complex grey tone intensity surfaces over their areas. Specially, an edge moves through a pixel only if there is some point in the pixel's area having a zero crossing of the second directional derivative taken in the direction of a non-zero gradient at the pixel's center. To determine whether or not a pixel should be marked as a step edge pixel, its underlying grey tone intensity surface was estimated on the basis of the pixels in its neighborhood.

  8. Pavement edge treatment.

    DOT National Transportation Integrated Search

    2013-01-01

    Four projects were built over two construction seasons using special devices attached to the paving machine that produces a 30 slope on the outside pavement edge instead of the near vertical drop-off common with conventional paving equipment. This ...

  9. Superlubric sliding of graphene nanoflakes on graphene.

    PubMed

    Feng, Xiaofeng; Kwon, Sangku; Park, Jeong Young; Salmeron, Miquel

    2013-02-26

    The lubricating properties of graphite and graphene have been intensely studied by sliding a frictional force microscope tip against them to understand the origin of the observed low friction. In contrast, the relative motion of free graphene layers remains poorly understood. Here we report a study of the sliding behavior of graphene nanoflakes (GNFs) on a graphene surface. Using scanning tunneling microscopy, we found that the GNFs show facile translational and rotational motions between commensurate initial and final states at temperatures as low as 5 K. The motion is initiated by a tip-induced transition of the flakes from a commensurate to an incommensurate registry with the underlying graphene layer (the superlubric state), followed by rapid sliding until another commensurate position is reached. Counterintuitively, the average sliding distance of the flakes is larger at 5 K than at 77 K, indicating that thermal fluctuations are likely to trigger their transitions from superlubric back to commensurate ground states.

  10. The Relaxation of Vicinal (001) with ZigZag [110] Steps

    NASA Astrophysics Data System (ADS)

    Hawkins, Micah; Hamouda, Ajmi Bh; González-Cabrera, Diego Luis; Einstein, Theodore L.

    2012-02-01

    This talk presents a kinetic Monte Carlo study of the relaxation dynamics of [110] steps on a vicinal (001) simple cubic surface. This system is interesting because [110] steps have different elementary excitation energetics and favor step diffusion more than close-packed [100] steps. In this talk we show how this leads to relaxation dynamics showing greater fluctuations on a shorter time scale for [110] steps as well as 2-bond breaking processes being rate determining in contrast to 3-bond breaking processes for [100] steps. The existence of a steady state is shown via the convergence of terrace width distributions at times much longer than the relaxation time. In this time regime excellent fits to the modified generalized Wigner distribution (as well as to the Berry-Robnik model when steps can overlap) were obtained. Also, step-position correlation function data show diffusion-limited increase for small distances along the step as well as greater average step displacement for zigzag steps compared to straight steps for somewhat longer distances along the step. Work supported by NSF-MRSEC Grant DMR 05-20471 as well as a DOE-CMCSN Grant.

  11. Multicomponent Pt-Based Zigzag Nanowires as Selectivity Controllers for Selective Hydrogenation Reactions.

    PubMed

    Bai, Shuxing; Bu, Lingzheng; Shao, Qi; Zhu, Xing; Huang, Xiaoqing

    2018-06-22

    The selective hydrogenation of α, β-unsaturated aldehyde is an extremely important transformation, while developing efficient catalysts with desirable selectivity to highly value-added products is challenging, mainly due to the coexistence of two conjugated unsaturated functional groups. Herein, we report that a series of Pt-based zigzag nanowires (ZNWs) can be adopted as selectivity controllers for α, β-unsaturated aldehyde hydrogenation, where the excellent unsaturated alcohol (UOL) selectivity (>95%) and high saturated aldehyde (SA) selectivity (>94%) are achieved on PtFe ZNWs and PtFeNi ZNWs+AlCl 3 , respectively. The excellent UOL selectivity of PtFe ZNWs is attributed to the lower electron density of the surface Pt atoms, while the high SA selectivity of PtFeNi ZNWs+AlCl 3 is due to synergy between PtFeNi ZNWs and AlCl 3 , highlighting the importance of Pt-based NWs with precisely controlled surface and composition for catalysis and beyond.

  12. Wortmannin-induced vacuole fusion enhances amyloplast dynamics in Arabidopsis zigzag1 hypocotyls

    PubMed Central

    Alvarez, Ashley Ann; Han, Sang Won; Toyota, Masatsugu; Brillada, Carla; Zheng, Jiameng; Gilroy, Simon

    2016-01-01

    Gravitropism in Arabidopsis shoots depends on the sedimentation of amyloplasts in the endodermis, and a complex interplay between the vacuole and F-actin. Gravity response is inhibited in zigzag-1 (zig-1), a mutant allele of VTI11, which encodes a SNARE protein involved in vacuole fusion. zig-1 seedlings have fragmented vacuoles that fuse after treatment with wortmannin, an inhibitor of phosphatidylinositol 3-kinase, and underscore a role of phosphoinositides in vacuole fusion. Using live-cell imaging with a vertical stage microscope, we determined that young endodermal cells below the apical hook that are smaller than 70 μm in length are the graviperceptive cells in dark-grown hypocotyls. This result was confirmed by local wortmannin application to the top of zig-1 hypocotyls, which enhanced shoot gravitropism in zig-1 mutants. Live-cell imaging of zig-1 hypocotyl endodermal cells indicated that amyloplasts are trapped between juxtaposed vacuoles and their movement is severely restricted. Wortmannin-induced fusion of vacuoles in zig-1 seedlings increased the formation of transvacuolar strands, enhanced amyloplast sedimentation and partially suppressed the agravitropic phenotype of zig-1 seedlings. Hypergravity conditions at 10 g were not sufficient to displace amyloplasts in zig-1, suggesting the existence of a physical tether between the vacuole and amyloplasts. Our results overall suggest that vacuole membrane remodeling may be involved in regulating the association of vacuoles and amyloplasts during graviperception. PMID:27816929

  13. Zig-zag tape influence in NREL Phase VI wind turbine

    NASA Astrophysics Data System (ADS)

    Gomez-Iradi, Sugoi; Munduate, Xabier

    2014-06-01

    Two bladed 10 metre diameter wind turbine was tested in the 24.4m × 36.6m NASA-Ames wind tunnel (Phase VI). These experiments have been extensively used for validation purposes for CFD and other engineering tools. The free transition case (S), has been, and is, the most employed one for validation purposes, and consist in a 3° pitch case with a rotational speed of 72rpm upwind configuration with and without yaw misalignment. However, there is another less visited case (M) where identical configuration was tested but with the inclusion of a zig-zag tape. This was called transition fixed sequence. This paper shows the differences between the free and the fix transition cases, that should be more appropriate for comparison with fully turbulent simulations. Steady k-ω SST fully turbulent computations performed with WMB CFD method are compared with the experiments showing, better predictions in the attached flow region when it is compared with the transition fixed experiments. This work wants to prove the utility of M case (transition fixed) and show its differences respect the S case (free transition) for validation purposes.

  14. Wavefront improvement in an end-pumped high-power Nd:YAG zigzag slab laser.

    PubMed

    Shin, Jae Sung; Cha, Yong-Ho; Lim, Gwon; Kim, Yonghee; Kwon, Seong-Ouk; Cha, Byung Heon; Lee, Hyeon Cheor; Kim, Sangin; Koh, Kwang Uoong; Kim, Hyun Tae

    2017-08-07

    Techniques for wavefront improvement in an end-pumped Nd:YAG zigzag slab laser amplifier were proposed and demonstrated experimentally. First, a study on the contact materials was conducted to improve the heat transfer between the slab and cooling blocks and to increase the cooling uniformity. Among many attempts, only the use of silicon oil showed an improvement in the wavefront. Thus, the appropriate silicone oil was applied to the amplifier as a contact material. In addition, the wavefront compensation method using a glass rod array was also applied to the amplifier. A very low wavefront distortion was obtained through the use of a silicone-oil contact and glass rod array. The variance of the optical path difference for the entire beam height was 3.87 μm at a pump power of 10.6 kW, and that for the 80% section was 1.69 μm. The output power from the oscillator was 3.88 kW, which means the maximum output extracted from the amplifier at a pump power of 10.6 kW.

  15. An Implementation of RC4+ Algorithm and Zig-zag Algorithm in a Super Encryption Scheme for Text Security

    NASA Astrophysics Data System (ADS)

    Budiman, M. A.; Amalia; Chayanie, N. I.

    2018-03-01

    Cryptography is the art and science of using mathematical methods to preserve message security. There are two types of cryptography, namely classical and modern cryptography. Nowadays, most people would rather use modern cryptography than classical cryptography because it is harder to break than the classical one. One of classical algorithm is the Zig-zag algorithm that uses the transposition technique: the original message is unreadable unless the person has the key to decrypt the message. To improve the security, the Zig-zag Cipher is combined with RC4+ Cipher which is one of the symmetric key algorithms in the form of stream cipher. The two algorithms are combined to make a super-encryption. By combining these two algorithms, the message will be harder to break by a cryptanalyst. The result showed that complexity of the combined algorithm is θ(n2 ), while the complexity of Zig-zag Cipher and RC4+ Cipher are θ(n2 ) and θ(n), respectively.

  16. Anisotropic thermoelectric behavior in armchair and zigzag mono- and fewlayer MoS2 in thermoelectric generator applications

    PubMed Central

    Arab, Abbas; Li, Qiliang

    2015-01-01

    In this work, we have studied thermoelectric properties of monolayer and fewlayer MoS2 in both armchair and zigzag orientations. Density functional theory (DFT) using non-equilibrium Green’s function (NEGF) method has been implemented to calculate the transmission spectra of mono- and fewlayer MoS2 in armchair and zigzag directions. Phonon transmission spectra are calculated based on parameterization of Stillinger-Weber potential. Thermoelectric figure of merit, ZT, is calculated using these electronic and phonon transmission spectra. In general, a thermoelectric generator is composed of thermocouples made of both n-type and p-type legs. Based on our calculations, monolayer MoS2 in armchair orientation is found to have the highest ZT value for both p-type and n-type legs compared to all other armchair and zigzag structures. We have proposed a thermoelectric generator based on monolayer MoS2 in armchair orientation. Moreover, we have studied the effect of various dopant species on thermoelectric current of our proposed generator. Further, we have compared output current of our proposed generator with those of Silicon thin films. Results indicate that thermoelectric current of MoS2 armchair monolayer is several orders of magnitude higher than that of Silicon thin films. PMID:26333948

  17. Anisotropic thermoelectric behavior in armchair and zigzag mono- and fewlayer MoS2 in thermoelectric generator applications.

    PubMed

    Arab, Abbas; Li, Qiliang

    2015-09-03

    In this work, we have studied thermoelectric properties of monolayer and fewlayer MoS2 in both armchair and zigzag orientations. Density functional theory (DFT) using non-equilibrium Green's function (NEGF) method has been implemented to calculate the transmission spectra of mono- and fewlayer MoS2 in armchair and zigzag directions. Phonon transmission spectra are calculated based on parameterization of Stillinger-Weber potential. Thermoelectric figure of merit, ZT, is calculated using these electronic and phonon transmission spectra. In general, a thermoelectric generator is composed of thermocouples made of both n-type and p-type legs. Based on our calculations, monolayer MoS2 in armchair orientation is found to have the highest ZT value for both p-type and n-type legs compared to all other armchair and zigzag structures. We have proposed a thermoelectric generator based on monolayer MoS2 in armchair orientation. Moreover, we have studied the effect of various dopant species on thermoelectric current of our proposed generator. Further, we have compared output current of our proposed generator with those of Silicon thin films. Results indicate that thermoelectric current of MoS2 armchair monolayer is several orders of magnitude higher than that of Silicon thin films.

  18. Nonlinear graphene plasmonics

    PubMed Central

    2017-01-01

    The rapid development of graphene has opened up exciting new fields in graphene plasmonics and nonlinear optics. Graphene's unique two-dimensional band structure provides extraordinary linear and nonlinear optical properties, which have led to extreme optical confinement in graphene plasmonics and ultrahigh nonlinear optical coefficients, respectively. The synergy between graphene's linear and nonlinear optical properties gave rise to nonlinear graphene plasmonics, which greatly augments graphene-based nonlinear device performance beyond a billion-fold. This nascent field of research will eventually find far-reaching revolutionary technological applications that require device miniaturization, low power consumption and a broad range of operating wavelengths approaching the far-infrared, such as optical computing, medical instrumentation and security applications. PMID:29118665

  19. Nonlinear graphene plasmonics

    NASA Astrophysics Data System (ADS)

    Ooi, Kelvin J. A.; Tan, Dawn T. H.

    2017-10-01

    The rapid development of graphene has opened up exciting new fields in graphene plasmonics and nonlinear optics. Graphene's unique two-dimensional band structure provides extraordinary linear and nonlinear optical properties, which have led to extreme optical confinement in graphene plasmonics and ultrahigh nonlinear optical coefficients, respectively. The synergy between graphene's linear and nonlinear optical properties gave rise to nonlinear graphene plasmonics, which greatly augments graphene-based nonlinear device performance beyond a billion-fold. This nascent field of research will eventually find far-reaching revolutionary technological applications that require device miniaturization, low power consumption and a broad range of operating wavelengths approaching the far-infrared, such as optical computing, medical instrumentation and security applications.

  20. Two isotypic diphosphates LiM{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (M=Ni, Co) containing ferromagnetic zigzag MO{sub 6} chains

    SciTech Connect

    Yang Tao; Yang Sihai; Liao Fuhui

    2008-06-15

    Two new isotypic phosphates LiNi{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (1) and LiCo{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (2) have been hydrothermally synthesized and structurally characterized by the single-crystal X-ray diffraction technique. They crystallize in the monoclinic space group C2/c with the lattice: a=10.925(2) A, b=12.774(3) A, c=8.8833(18) A, {beta}=123.20(3){sup o} for 1 and a=10.999(2) A, b=12.863(3) A, c=8.9419(18) A, {beta}=123.00(3){sup o} for 2. The transition metal atoms are octahedrally coordinated, whereas the lithium and phosphorus atoms are all tetrahedrally coordinated. As the lithium-induced derivatives of MH{sub 2}P{sub 2}O{sub 7} (M=Ni, Co), 1 and 2 possess the same structure withmore » MH{sub 2}P{sub 2}O{sub 7} in terms of topology, comprising the MO{sub 6} zigzag chains and P{sub 2}O{sub 7} as the interchain groups. The magnetisms of 1 and 2 could be interpreted by adopting a quasi-one-dimensional (1D) zigzag chain model as that in their parent compounds: both 1 and 2 have ferromagnetic (FM) NiO{sub 6}/CoO{sub 6} chains; 1 shows a FM cluster glass behavior at low temperatures, which is originated from the possible antiferromagnetic (AFM) next-nearest-neighbour intrachain interactions; 2 shows a AFM ordering at T{sub N}=2.6 K and a metamagnetic transition at H{sub C}=4.2 kOe at 1.8 K. - Graphical abstract: LiNi{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (1) and LiCo{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (2) have been hydrothermally synthesized and structurally characterized. The MO{sub 6} octahedra share edges forming zigzag chains with P{sub 2}O{sub 7} as the interchain groups. Both of them are quasi-one-dimensional magnets and have ferromagnetic MO{sub 6} chains; 1 is a ferromagnet, whereas 2 is a metamagnet.« less

  1. Sub-5 nm, globally aligned graphene nanoribbons on Ge(001)

    DOE PAGES

    Kiraly, Brian; Mannix, Andrew J.; Jacobberger, Robert M.; ...

    2016-05-23

    Graphene nanoribbons (GNRs) hold great promise for future electronics because of their edge and width dependent electronic bandgaps and exceptional transport properties. While significant progress toward such devices has been made, the field has been limited by difficulties achieving narrow widths, global alignment, and atomically pristine GNR edges on technologically relevant substrates. A recent advance has challenged these limits by using Ge(001) substrates to direct the bottom-up growth of GNRs with nearly pristine armchair edges and widths near ~10 nm via atmospheric pressure chemical vapor deposition. In this work, we extend the growth of GNRs on Ge(001) to ultra-high vacuummore » conditions and realize GNRs narrower than 5 nm. Armchair graphene nanoribbons directed along the Ge <110> surface directions are achieved with excellent width control and relatively large bandgaps. As a result, the bandgap magnitude and electronic uniformity make these new materials excellent candidates for future developments in nanoelectronics.« less

  2. Synthesis of soluble graphite and graphene.

    PubMed

    Kelly, K F; Billups, W E

    2013-01-15

    Because of graphene's anticipated applications in electronics and its thermal, mechanical, and optical properties, many scientists and engineers are interested in this material. Graphene is an isolated layer of the π-stacked hexagonal allotrope of carbon known as graphite. The interlayer cohesive energy of graphite, or exfoliation energy, that results from van der Waals attractions over the interlayer spacing distance of 3.34 Å (61 meV/C atom) is many times weaker than the intralayer covalent bonding. Since graphene itself does not occur naturally, scientists and engineers are still learning how to isolate and manipulate individual layers of graphene. Some researchers have relied on the physical separation of the sheets, a process that can sometimes be as simple as peeling of sheets from crystalline graphite using Scotch tape. Other researchers have taken an ensemble approach, where they exploit the chemical conversion of graphite to the individual layers. The typical intermediary state is graphite oxide, which is often produced using strong oxidants under acidic conditions. Structurally, researchers hypothesize that acidic functional groups functionalize the oxidized material at the edges and a network of epoxy groups cover the sp(2)-bonded carbon network. The exfoliated material formed under these conditions can be used to form dispersions that are usually unstable. However, more importantly, irreversible defects form in the basal plane during oxidation and remain even after reduction of graphite oxide back to graphene-like material. As part of our interest in the dissolution of carbon nanomaterials, we have explored the derivatization of graphite following the same procedures that preserve the sp(2) bonding and the associated unique physical and electronic properties in the chemical processing of single-walled carbon nanotubes. In this Account, we describe efficient routes to exfoliate graphite either into graphitic nanoparticles or into graphene without

  3. Cobalt intercalation at the graphene/iridium(111) interface: Influence of rotational domains, wrinkles, and atomic steps

    SciTech Connect

    Vlaic, S.; Kimouche, A.; Coraux, J.

    Using low-energy electron microscopy, we study Co intercalation under graphene grown on Ir(111). Depending on the rotational domain of graphene on which it is deposited, Co is found intercalated at different locations. While intercalated Co is observed preferentially at the substrate step edges below certain rotational domains, it is mostly found close to wrinkles below other domains. These results indicate that curved regions (near substrate atomic steps and wrinkles) of the graphene sheet facilitate Co intercalation and suggest that the strength of the graphene/Ir interaction determines which pathway is energetically more favorable.

  4. The Edge supersonic transport

    NASA Technical Reports Server (NTRS)

    Agosta, Roxana; Bilbija, Dushan; Deutsch, Marc; Gallant, David; Rose, Don; Shreve, Gene; Smario, David; Suffredini, Brian

    1992-01-01

    As intercontinental business and tourism volumes continue their rapid expansion, the need to reduce travel times becomes increasingly acute. The Edge Supersonic Transport Aircraft is designed to meet this demand by the year 2015. With a maximum range of 5750 nm, a payload of 294 passengers and a cruising speed of M = 2.4, The Edge will cut current international flight durations in half, while maintaining competitive first class, business class, and economy class comfort levels. Moreover, this transport will render a minimal impact upon the environment, and will meet all Federal Aviation Administration Part 36, Stage III noise requirements. The cornerstone of The Edge's superior flight performance is its aerodynamically efficient, dual-configuration design incorporating variable-geometry wingtips. This arrangement combines the benefits of a high aspect ratio wing at takeoff and low cruising speeds with the high performance of an arrow-wing in supersonic cruise. And while the structural weight concerns relating to swinging wingtips are substantial, The Edge looks to ever-advancing material technologies to further increase its viability. Heeding well the lessons of the past, The Edge design holds economic feasibility as its primary focus. Therefore, in addition to its inherently superior aerodynamic performance, The Edge uses a lightweight, largely windowless configuration, relying on a synthetic vision system for outside viewing by both pilot and passengers. Additionally, a fly-by-light flight control system is incorporated to address aircraft supersonic cruise instability. The Edge will be produced at an estimated volume of 400 aircraft and will be offered to airlines in 2015 at $167 million per transport (1992 dollars).

  5. The impact of adsorption on the localization of spins in graphene oxide and reduced graphene oxide, observed with electron paramagnetic resonance

    NASA Astrophysics Data System (ADS)

    Kempiński, Mateusz; Florczak, Patryk; Jurga, Stefan; Śliwińska-Bartkowiak, Małgorzata; Kempiński, Wojciech

    2017-08-01

    We report the observations of electronic properties of graphene oxide and reduced graphene oxide, performed with electron paramagnetic resonance technique in a broad temperature range. Both materials were examined in pure form and saturated with air, helium, and heavy water molecules. We show that spin localization strongly depends on the type and amount of molecules adsorbed at the graphene layer edges (and possible in-plane defects). Physical and chemical states of edges play crucial role in electrical transport within graphene-based materials, with hopping as the leading mechanism of charge carrier transport. Presented results are a good basis to understand the electronic properties of other carbon structures made of graphene-like building blocks. Most active carbons show some degree of functionalization and are known of having good adsorptive properties; thus, controlling both phenomena is important for many applications. Sample treatment with temperature, vacuum, and various adsorbents allowed for the observation of a possible metal-insulator transition and sorption pumping effects. The influence of adsorption on the localization phenomena in graphene would be very important if to consider the graphene-based material as possible candidates for the future spintronics that works in ambient conditions.

  6. RNA nanopatterning on graphene

    NASA Astrophysics Data System (ADS)

    Li, Q.; Froning, J. P.; Pykal, M.; Zhang, S.; Wang, Z.; Vondrák, M.; Banáš, P.; Čépe, K.; Jurečka, P.; Šponer, J.; Zbořil, R.; Dong, M.; Otyepka, M.

    2018-07-01

    Graphene-based materials enable the sensing of diverse biomolecules using experimental approaches based on electrochemistry, spectroscopy, or other methods. Although basic sensing was achieved, it had until now not been possible to understand and control biomolecules’ structural and morphological organization on graphene surfaces (i.e. their stacking, folding/unfolding, self-assembly, and nano-patterning). Here we present the insight into structural and morphological organization of biomolecules on graphene in water, using an RNA hairpin as a model system. We show that the key parameters governing the RNA’s behavior on the graphene surface are the number of graphene layers, RNA concentration, and temperature. At high concentrations, the RNA forms a film on the graphene surface with entrapped nanobubbles. The density and the size of the bubbles depend on the number of graphene layers. At lower concentrations, unfolded RNA stacks on the graphene and forms molecular clusters on the surface. Such a control over the conformational behavior of interacting biomolecules at graphene/water interfaces would facilitate new applications of graphene derivatives in biotechnology and biomedicine.

  7. Engineering the quantum anomalous Hall effect in graphene with uniaxial strains

    SciTech Connect

    Diniz, G. S., E-mail: ginetom@gmail.com; Guassi, M. R.; Qu, F.

    2013-12-28

    We theoretically investigate the manipulation of the quantum anomalous Hall effect (QAHE) in graphene by means of the uniaxial strain. The values of Chern number and Hall conductance demonstrate that the strained graphene in presence of Rashba spin-orbit coupling and exchange field, for vanishing intrinsic spin-orbit coupling, possesses non-trivial topological phase, which is robust against the direction and modulus of the strain. Besides, we also find that the interplay between Rashba and intrinsic spin-orbit couplings results in a topological phase transition in the strained graphene. Remarkably, as the strain strength is increased beyond approximately 7%, the critical parameters of themore » exchange field for triggering the quantum anomalous Hall phase transition show distinct behaviors—decrease (increase) for strains along zigzag (armchair) direction. Our findings open up a new platform for manipulation of the QAHE by an experimentally accessible strain deformation of the graphene structure, with promising application on novel quantum electronic devices with high efficiency.« less

  8. Tactile Sensing System Based on Arrays of Graphene Woven Microfabrics: Electromechanical Behavior and Electronic Skin Application.

    PubMed

    Yang, Tingting; Wang, Wen; Zhang, Hongze; Li, Xinming; Shi, Jidong; He, Yijia; Zheng, Quan-shui; Li, Zhihong; Zhu, Hongwei

    2015-11-24

    Nanomaterials serve as promising candidates for strain sensing due to unique electromechanical properties by appropriately assembling and tailoring their configurations. Through the crisscross interlacing of graphene microribbons in an over-and-under fashion, the obtained graphene woven fabric (GWF) indicates a good trade-off between sensitivity and stretchability compared with those in previous studies. In this work, the function of woven fabrics for highly sensitive strain sensing is investigated, although network configuration is always a strategy to retain resistance stability. The experimental and simulation results indicate that the ultrahigh mechanosensitivity with gauge factors of 500 under 2% strain is attributed to the macro-woven-fabric geometrical conformation of graphene, which induces a large interfacial resistance between the interlaced ribbons and the formation of microscale-controllable, locally oriented zigzag cracks near the crossover location, both of which have a synergistic effect on improving sensitivity. Meanwhile, the stretchability of the GWF could be tailored to as high as over 40% strain by adjusting graphene growth parameters and adopting oblique angle direction stretching simultaneously. We also demonstrate that sensors based on GWFs are applicable to human motion detection, sound signal acquisition, and spatially resolved monitoring of external stress distribution.

  9. Uniaxial Strain Redistribution in Corrugated Graphene: Clamping, Sliding, Friction, and 2D Band Splitting.

    PubMed

    Wang, Xuanye; Tantiwanichapan, Khwanchai; Christopher, Jason W; Paiella, Roberto; Swan, Anna K

    2015-09-09

    Graphene is a promising material for strain engineering based on its excellent flexibility and elastic properties, coupled with very high electrical mobility. In order to implement strain devices, it is important to understand and control the clamping of graphene to its support. Here, we investigate the limits of the strong van der Waals interaction on friction clamping. We find that the friction of graphene on a SiO2 substrate can support a maximum local strain gradient and that higher strain gradients result in sliding and strain redistribution. Furthermore, the friction decreases with increasing strain. The system used is graphene placed over a nanoscale SiO2 grating, causing strain and local strain variations. We use a combination of atomic force microscopy and Raman scattering to determine the friction coefficient, after accounting for compression and accidental charge doping, and model the local strain variation within the laser spot size. By using uniaxial strain aligned to a high crystal symmetry direction, we also determine the 2D Raman Grüneisen parameter and deformation potential in the zigzag direction.

  10. My Spring with Graphene

    SciTech Connect

    O'Leary, Timothy Sean

    2015-06-08

    Graphene is a two-dimensional structure, one atom thick, with many uses in the world of technology. It has many useful electrical properties, is a very strong and durable material, and can be used to protect different types of substances. The world would be able to use these properties to further the strength of cars, protect metals from oxidation, increase computer speeds, use to improve superconductors, and whatever future uses that scientist invent or discover. We sought to optimize the growth and transfer of graphene. We grew graphene on copper foils by heating the foil in a furnace, and having variousmore » gases flow through a tube, where the copper foil was placed. We varied some of the concentrations of gases, along with having different times for heating the copper foil, different times for graphene growth, or a combination of the two. The focus of our experiment was to specifically grow monolayer single crystal graphene, which means that we do not want multiplayers of graphene, and do not want multiple crystals growing to form a bigger crystal. Our goal was to grow large single crystals from the growth experiment. We used a few different types of transfer methods that ranged from: using heat and pressure to press the graphene on different materials, using a polymer to cover the graphene with a method to destroy the copper, but leave the graphene and polymer intact, and using a type of heat tape with a combination of varying pressures to transfer the graphene, and then destroy the copper foil. To discover if we grew graphene we used different techniques involving lasers and microscopes to take different types of measurements. Discovering the best way of growing and transferring graphene will help with managing the cost of the future uses of graphene.« less

  11. In Situ Graphene Growth Dynamics on Polycrystalline Catalyst Foils

    PubMed Central

    2016-01-01

    The dynamics of graphene growth on polycrystalline Pt foils during chemical vapor deposition (CVD) are investigated using in situ scanning electron microscopy and complementary structural characterization of the catalyst with electron backscatter diffraction. A general growth model is outlined that considers precursor dissociation, mass transport, and attachment to the edge of a growing domain. We thereby analyze graphene growth dynamics at different length scales and reveal that the rate-limiting step varies throughout the process and across different regions of the catalyst surface, including different facets of an individual graphene domain. The facets that define the domain shapes lie normal to slow growth directions, which are determined by the interfacial mobility when attachment to domain edges is rate-limiting, as well as anisotropy in surface diffusion as diffusion becomes rate-limiting. Our observations and analysis thus reveal that the structure of CVD graphene films is intimately linked to that of the underlying polycrystalline catalyst, with both interfacial mobility and diffusional anisotropy depending on the presence of step edges and grain boundaries. The growth model developed serves as a general framework for understanding and optimizing the growth of 2D materials on polycrystalline catalysts. PMID:27576749

  12. Graphene device and method of using graphene device

    DOEpatents

    Bouchiat, Vincent; Girit, Caglar; Kessler, Brian; Zettl, Alexander K.

    2015-08-11

    An embodiment of a graphene device includes a layered structure, first and second electrodes, and a dopant island. The layered structure includes a conductive layer, an insulating layer, and a graphene layer. The electrodes are coupled to the graphene layer. The dopant island is coupled to an exposed surface of the graphene layer between the electrodes. An embodiment of a method of using a graphene device includes providing the graphene device. A voltage is applied to the conductive layer of the graphene device. Another embodiment of a method of using a graphene device includes providing the graphene device without the dopant island. A dopant island is placed on an exposed surface of the graphene layer between the electrodes. A voltage is applied to the conductive layer of the graphene device. A response of the dopant island to the voltage is observed.

  13. Multipole plasmons in graphene nanoellipses

    NASA Astrophysics Data System (ADS)

    Wang, Weihua; Song, Zhengyong

    2018-02-01

    We study multipole plasmons in graphene nanoellipses under the quasi-static approximation. The graphene is characterized by a homogeneous surface conductivity, and two coupled differential and integral equations are solved self-consistently to investigate the plasmonic modes in nanoellipses with a fixed area. With respect to the major axis, the symmetric and antisymmetric modes originally doubly degenerate in nanodisks will show different behavior as the semi-major axis increases. The eigen frequencies of the symmetric modes decrease, while those of the antisymmetric modes increase. At the edges, the phase changes of the symmetric dipole modes are linear and independent on structural changes; the phase changes of antisymmetric modes deviate from linear relationship, and the deviation depends on the semi-major axis. As a very large aspect ratio, they exhibit sharp peaks at the endpoints of the minor axis and zero phase changes at the endpoints of the major axis. The non-degenerate breathing mode shows its hot spots at the endpoints of the minor axis, and its eigen frequency gradually increases as the semi-major axis increases.

  14. Energy band gaps in graphene nanoribbons with corners

    NASA Astrophysics Data System (ADS)

    Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried

    2016-05-01

    In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.

  15. Effectiveness of Co intercalation between Graphene and Ir(1 1 1)

    NASA Astrophysics Data System (ADS)

    Carlomagno, I.; Drnec, J.; Scaparro, A. M.; Cicia, S.; Mobilio, S.; Felici, R.; Meneghini, C.

    2018-04-01

    Graphene can be used to avoid the oxidation of metallic films. This work explores the effectiveness of such stabilizing effect on Cobalt (Co) films intercalated between Graphene and Ir(1 1 1). After intercalation at 300 °C, two Co films are exposed to ambient pressure and investigated using Co-K edge X-ray Absorption Near Edge Spectroscopy. The formation of a disordered oxide phase is observed, and associated to the presence of some non-intercalated Co. Further annealing at 500 °C causes the oxide reduction to metallic Co which further intercalates below the Graphene. Once the intercalation is completed, Graphene prevents the Co from oxidation under ambient pressure conditions.

  16. Antibacterial graphene oxide coatings on polymer substrate

    NASA Astrophysics Data System (ADS)

    Liu, Yiming; Wen, Jing; Gao, Yang; Li, Tianyang; Wang, Huifang; Yan, Hong; Niu, Baolong; Guo, Ruijie

    2018-04-01

    Graphene oxide (GO) was thought to be a promising antibacterial material. In this work, graphene oxide coatings on polymer substrate were prepared and the antibacterial activity against E. coli and S. aureus was investigated. It was demonstrated that the coatings exhibited stronger antibacterial activity against E. coli with thin membrane than S. aureus with thick membrane. Take into consideration the fact that the coatings presented smooth, sharp edges-free morphology and bonded parallelly to substrate, which was in mark contrast with their precursor GO nanosheets, oxidative stress mechanism was considered the main factor of antibacterial activity. The coatings, which are easy to recycle and have no inhalation risk, provide an alternative for application in antibacterial medical instruments.

  17. Graphene nanoribbons: Relevance of etching process

    SciTech Connect

    Simonet, P., E-mail: psimonet@phys.ethz.ch; Bischoff, D.; Moser, A.

    2015-05-14

    Most graphene nanoribbons in the experimental literature are patterned using plasma etching. Various etching processes induce different types of defects and do not necessarily result in the same electronic and structural ribbon properties. This study focuses on two frequently used etching techniques, namely, O{sub 2} plasma ashing and O{sub 2 }+ Ar reactive ion etching (RIE). O{sub 2} plasma ashing represents an alternative to RIE physical etching for sensitive substrates, as it is a more gentle chemical process. We find that plasma ashing creates defective graphene in the exposed trenches, resulting in instabilities in the ribbon transport. These are probably caused bymore » more or larger localized states at the edges of the ashed device compared to the RIE defined device.« less

  18. High Speed Edge Detection

    NASA Technical Reports Server (NTRS)

    Prokop, Norman F (Inventor)

    2016-01-01

    Analog circuits for detecting edges in pixel arrays are disclosed. A comparator may be configured to receive an all pass signal and a low pass signal for a pixel intensity in an array of pixels. A latch may be configured to receive a counter signal and a latching signal from the comparator. The comparator may be configured to send the latching signal to the latch when the all pass signal is below the low pass signal minus an offset. The latch may be configured to hold a last negative edge location when the latching signal is received from the comparator.

  19. High Speed Edge Detection

    NASA Technical Reports Server (NTRS)

    Prokop, Norman F (Inventor)

    2015-01-01

    Analog circuits for detecting edges in pixel arrays are disclosed. A comparator may be configured to receive an all pass signal and a low pass signal for a pixel intensity in an array of pixels. A latch may be configured to receive a counter signal and a latching signal from the comparator. The comparator may be configured to send the latching signal to the latch when the all pass signal is below the low pass signal minus an offset. The latch may be configured to hold a last negative edge location when the latching signal is received from the comparator.

  20. Monolithic graphene transistor biointerface.

    PubMed

    Nam, SungWoo; Lee, Mi-Sun; Park, Jang-Ung

    2012-01-01

    We report monolithic integration of graphene and graphite for all-carbon integrated bioelectronics. First, we demonstrate that the electrical properties of graphene and graphite can be modulated by controlling the number of graphene layers, and such capabilities allow graphene to be used as active channels and graphite as metallic interconnects for all-carbon bioelectronics. Furthermore, we show that monolithic graphene-graphite devices exhibit mechanical flexibility and robustness while their electrical responses are not perturbed by mechanical deformation, demonstrating their unique electromechanical properties. Chemical sensing capability of all-carbon integrated bioelectronics is manifested in real-time, complementary pH detection. These unique capabilities of our monolithic graphene-graphite bioelectronics could be exploited in chemical and biological detection and conformal interface with biological systems in the future.