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Sample records for k2nb8o21 nanoribbons cheng-yan

  1. Localized vibrations of graphene nanoribbons

    Science.gov (United States)

    Savin, A. V.; Kivshar, Yu. S.

    2016-08-01

    Vibrational modes of graphene nanoribbons are studied. It is demonstrated that in an unstretched graphene nanoribbon, localized vibrations (in the form of breathers) can occur only at the edges. The largest number of localized edge oscillations is expected for the nanoribbons with the armchair structure. Stretching of a nanoribbon can lead to the appearance of new types of strongly localized oscillations. When a nanoribbon is stretched, in its oscillatory spectrum a frequency gap appears in which the frequencies of the localized modes are located. An armchair nanoribbon can support localized modes only at its edges, while a highly stretched zigzag nanoribbon can support them both at the edges and inside the nanoribbon.

  2. Photothermal heating of nanoribbons

    Science.gov (United States)

    Smith, Bennett E.; Zhou, Xuezhe; Davis, E. James; Pauzauskie, Peter J.

    2017-01-01

    Nanoscale optical materials are of great interest for building future optoelectronic devices for information processing and sensing applications. Although heat transfer ultimately limits the maximum power at which nanoscale devices may operate, gaining a quantitative experimental measurement of photothermal heating within single nanostructures remains a challenge. Here, we measure the nonlinear optical absorption coefficient of optically trapped cadmium-sulfide nanoribbons at the level of single nanostructures through observations of their Brownian dynamics during single-beam laser trapping experiments. A general solution to the heat transfer partial differential equation is derived for nanostructures having rectilinear morphology including nanocubes and nanoribbons. Numerical electromagnetic calculations using the discrete-dipole approximation enable the simulation of the photothermal heating source function and the extraction of nonlinear optical absorption coefficients from experimental observations of single nanoribbon dynamics.

  3. Topological Insulator Nanowires and Nanoribbons

    KAUST Repository

    Kong, Desheng

    2010-01-13

    Recent theoretical calculations and photoemission spectroscopy measurements on the bulk Bi2Se3 material show that it is a three-dimensional topological insulator possessing conductive surface states with nondegenerate spins, attractive for dissipationless electronics and spintronics applications. Nanoscale topological insulator materials have a large surface-to-volume ratio that can manifest the conductive surface states and are promising candidates for devices. Here we report the synthesis and characterization of high quality single crystalline Bi2Se5 nanomaterials with a variety of morphologies. The synthesis of Bi 2Se5 nanowires and nanoribbons employs Au-catalyzed vapor-liquid-solid (VLS) mechanism. Nanowires, which exhibit rough surfaces, are formed by stacking nanoplatelets along the axial direction of the wires. Nanoribbons are grown along [1120] direction with a rectangular cross-section and have diverse morphologies, including quasi-one-dimensional, sheetlike, zigzag and sawtooth shapes. Scanning tunneling microscopy (STM) studies on nanoribbons show atomically smooth surfaces with ∼ 1 nm step edges, indicating single Se-Bi-Se-Bi-Se quintuple layers. STM measurements reveal a honeycomb atomic lattice, suggesting that the STM tip couples not only to the top Se atomic layer, but also to the Bi atomic layer underneath, which opens up the possibility to investigate the contribution of different atomic orbitais to the topological surface states. Transport measurements of a single nanoribbon device (four terminal resistance and Hall resistance) show great promise for nanoribbons as candidates to study topological surface states. © 2010 American Chemical Society.

  4. Transport in disordered graphene nanoribbons

    NARCIS (Netherlands)

    Martin, I.; Blanter, Y.M.

    2009-01-01

    We study electronic transport in graphene nanoribbons with rough edges. We first consider a model of weak disorder that corresponds to an armchair ribbon whose width randomly changes by a single unit cell size. We find that in this case, the low-temperature conductivity is governed by an effective o

  5. Topological Insulator Nanowires and Nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Kong, D.S.

    2010-06-02

    Recent theoretical calculations and photoemission spectroscopy measurements on the bulk Bi{sub 2}Se{sub 3} material show that it is a three-dimensional topological insulator possessing conductive surface states with nondegenerate spins, attractive for dissipationless electronics and spintronics applications. Nanoscale topological insulator materials have a large surface-to-volume ratio that can manifest the conductive surface states and are promising candidates for devices. Here we report the synthesis and characterization of high quality single crystalline Bi{sub 2}Se{sub 3} nanomaterials with a variety of morphologies. The synthesis of Bi{sub 2}Se{sub 3} nanowires and nanoribbons employs Au-catalyzed vapor-liquid-solid (VLS) mechanism. Nanowires, which exhibit rough surfaces, are formed by stacking nanoplatelets along the axial direction of the wires. Nanoribbons are grown along [11-20] direction with a rectangular crosssection and have diverse morphologies, including quasi-one-dimensional, sheetlike, zigzag and sawtooth shapes. Scanning tunneling microscopy (STM) studies on nanoribbons show atomically smooth surfaces with {approx}1 nm step edges, indicating single Se-Bi-Se-Bi-Se quintuple layers. STM measurements reveal a honeycomb atomic lattice, suggesting that the STM tip couples not only to the top Se atomic layer, but also to the Bi atomic layer underneath, which opens up the possibility to investigate the contribution of different atomic orbitals to the topological surface states. Transport measurements of a single nanoribbon device (four terminal resistance and Hall resistance) show great promise for nanoribbons as candidates to study topological surface states.

  6. Bends and splitters in graphene nanoribbon waveguides

    DEFF Research Database (Denmark)

    Zhu, Xiaolong; Yan, Wei; Mortensen, N. Asger

    2013-01-01

    We investigate the performance of bends and splitters in graphene nanoribbon waveguides. Although the graphene waveguides are lossy themselves, we show that bends and splitters do not induce any additional loss provided that the nanoribbon width is sub-wavelength. We use transmission line theory...

  7. Graphene nanoribbons production from flat carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Melo, W. S.; Guerini, S.; Diniz, E. M., E-mail: eduardo.diniz@ufma.br [Departamento de Física, Universidade Federal do Maranhão, São Luís - MA 65080-805 (Brazil)

    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 by 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.

  8. Optical properties of graphene nanoribbons

    Science.gov (United States)

    Karimi, Farhad; Knezevic, Irena

    We calculate the dielectric function and optical conductivity of ultra-narrow armchair graphene nanoribbons (AGNRs) and zigzag graphene nanoribbons (ZGNRs) by a self- consistent-field approach within a Markovian master-equation formalism (SCF-MMEF) coupled with full-wave electromagnetic equations. Based on third-nearest-neighbor tight-binding, with appropriate modifications for AGNRs and ZGNRs, we calculate electron dispersions and Bloch wave functions in excellent agreement with the local spin-density approximation (LSDA) results. A generalized Markovian master equation of the Lindblad form, which maintains the positivity of the density matrix, is derived to describe the interaction of the electronic system with an external electromagnetic field (to first order) and with a dissipative environment (to second order). Not only does the SCF-MMEF capture the interband electron-hole-pair generation, but it also accurately accounts for concurrent interband and intraband electron scattering with phonons and impurities. We employ the SCF-MMEF to calculate the dielectric function, complex conductivity, and loss function for both suspended and supported AGNRs and ZGNRs with different widths. Then, we obtain the plasmon dispersion and propagation length from the loss-function maximum. Support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-SC0008712.

  9. Plasmon resonance in multilayer graphene nanoribbons

    DEFF Research Database (Denmark)

    Emani, Naresh Kumar; Wang, Di; Chung, Ting Fung

    2015-01-01

    Plasmon resonances in nanopatterned single-layer graphene nanoribbons (SL-GNRs), double-layer graphene nanoribbons (DL-GNRs) and triple-layer graphene nanoribbons (TL-GNRs) are studied experimentally using 'realistic' graphene samples. The existence of electrically tunable plasmons in stacked...... multilayer graphene nanoribbons was first experimentally verified by infrared microscopy. We find that the strength of the plasmonic resonance increases in DL-GNRs when compared to SL-GNRs. However, further increase was not observed in TL-GNRs when compared to DL-GNRs. We carried out systematic full......-wave simulations using a finite-element technique to validate and fit experimental results, and extract the carrier-scattering rate as a fitting parameter. The numerical simulations show remarkable agreement with experiments for an unpatterned SLG sheet, and a qualitative agreement for a patterned graphene sheet...

  10. Mechanical properties of graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Faccio, Ricardo; Pardo, Helena; Goyenola, Cecilia; Mombru, Alvaro W [Crystallography, Solid State and Materials Laboratory (Cryssmat-Lab), DETEMA, Facultad de Quimica, Universidad de la Republica, Avenida General Flores 2124, PO Box 1157, Montevideo (Uruguay); Denis, Pablo A [Computational Nanotechnology, DETEMA, Facultad de Quimica, Universidad de la Republica, Avenida General Flores 2124, CC 1157, 11800 Montevideo (Uruguay)], E-mail: rfaccio@fq.edu.uy

    2009-07-15

    Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons in the presence of stress by applying density functional theory within the GGA-PBE (generalized gradient approximation-Perdew-Burke-Ernzerhof) approximation. The uniaxial stress is applied along the periodic direction, allowing a unitary deformation in the range of {+-} 0.02%. The mechanical properties show a linear response within that range while a nonlinear dependence is found for higher strain. The most relevant results indicate that Young's modulus is considerable higher than those determined for graphene and carbon nanotubes. The geometrical reconstruction of the C-C bonds at the edges hardens the nanostructure. The features of the electronic structure are not sensitive to strain in this linear elastic regime, suggesting the potential for using carbon nanostructures in nano-electronic devices in the near future.

  11. Graphene nano-ribbon waveguides

    CERN Document Server

    He, S; He, Y

    2013-01-01

    Graphene as a one-atom-thick platform for infrared metamaterial plays an important role in optical science and engineering. Here we study the unique properties of some plasmonic waveguides based on graphene nano-ribbon. It is found that a graphene ribbon of finite width leads to the occurrence of coupled edge mode. The single-mode region of a single freestanding graphene ribbon is identified at a fixed frequency of 30 THz. A low-loss waveguide structure, consisting of a graphene layer, a silica buffer layer and silicon substrate is proposed to reduce the propagation loss and obtain a high figure of merit for future integration of waveguide devices. Furthermore, two coupled ribbon configurations, namely, side-side coupling and top-bottom coupling, are investigated. As a device example, a nano-ring cavity of ultra-small size is designed.

  12. Oriented bottom-up growth of armchair graphene nanoribbons on germanium

    Science.gov (United States)

    Arnold, Michael Scott; Jacobberger, Robert Michael

    2016-03-15

    Graphene nanoribbon arrays, methods of growing graphene nanoribbon arrays and electronic and photonic devices incorporating the graphene nanoribbon arrays are provided. The graphene nanoribbons in the arrays are formed using a scalable, bottom-up, chemical vapor deposition (CVD) technique in which the (001) facet of the germanium is used to orient the graphene nanoribbon crystals along the [110] directions of the germanium.

  13. Bipolar magnetic semiconductor in silicene nanoribbons

    Science.gov (United States)

    Farghadan, Rouhollah

    2017-08-01

    A theoretical study was presented on generation of spin polarization in silicene nanoribbons using the single-band tight-binding approximation and the non-equilibrium Green's function formalism. We focused on the effect of electric and exchange magnetic fields on the spin-filter capabilities of zigzag-edge silicene nanoribbons in the presence of the intrinsic spin-orbit interaction. The results show that a robust bipolar magnetic semiconductor with controllable spin-flip and spin-conserved gaps can be obtained when exchange magnetic and electric field strengths are both larger than the intrinsic spin-orbit interaction. Therefore, zigzag silicene nanoribbons could act as bipolar and perfect spin filter devices with a large spin-polarized current and a reversible spin polarization in the vicinity of the Fermi energy. We also investigated the effect of edge roughness and found that the bipolar magnetic semiconductor features are robust against edge disorder in silicene nanoribbon junctions. These results may be useful in multifunctional spin devices based on silicene nanoribbons.

  14. Conductance of metallic nanoribbons with defects

    Institute of Scientific and Technical Information of China (English)

    Deng Shi-Xian; Liang Shi-Dong

    2012-01-01

    The conductances of two typical metallic graphene nanoribbons with one and two defects are studied using the tight binding model with the surface Green's function method.The weak scattering impurities,U ~ 1 eV,induce a dip in the conductance near the Fermi energy for the narrow zigzag graphene nanoribbons.As the impurity scattering strength increases,the conductance behavior at the Fermi energy becomes more complicated and depends on the impurity location,the AA and AB sites.The impurity effect then becomes weak and vanishes with the increase in the width of the zigzag graphene nanoribbons (150 nm).For the narrow armchair graphene nanoribbons,the conductance at the Fermi energy is suppressed by the impurities and becomes zero with the increase in impurity scattering strength,U > 100 eV,for two impurities at the AA sites,but becomes constant for the two impurities at the AB sites.As the width of the graphene nanoribbons increases,the impurity effect on the conductance at the Fermi energy depends sensitively on the vacancy location at the AA or AB sites.

  15. Coupling and manipulation of edge states in multilayer phosphorene nanoribbons

    Science.gov (United States)

    Lv, Z. T.; Gao, J. H.; Zhang, X. D.; Jiang, Z. T.

    2017-10-01

    We investigate the couplings among the edge states of the normal zigzag and skewed armchair multilayer phosphorene nanoribbons, as well as the effect of the electric field on the corresponding energy levels, by using the tight-binding Hamiltonian approach. It is found that there appear different transitions from the coupled to uncoupled edge states in the normal zigzag and skewed armchair nanoribbons with the increasing of the nanoribbon width, which is fundamentally attributed to the edge asymmetry of the multilayer phosphorene nanoribbons. Moreover, the energy bands of the multilayer phosphorene nanoribbons can be effectively adjusted by applying the perpendicular electric field. Therefore, this research should be thought of as a useful reference for determining the width, the edge types, and the layer numbers of the nanoribbons in manipulating the properties of the multilayer phosphorene nanoribbons.

  16. Electronic structures of reconstructed zigzag silicene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Yi, E-mail: dingyi2001@tsinghua.org.cn, E-mail: wangyanli-04@tsinghua.org.cn [Department of Physics, Hangzhou Normal University, Hangzhou, Zhejiang 310036 (China); Wang, Yanli, E-mail: dingyi2001@tsinghua.org.cn, E-mail: wangyanli-04@tsinghua.org.cn [Department of Physics, Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Xiasha College Park, Hangzhou, Zhejiang 310018 (China)

    2014-02-24

    Edge states and magnetism are crucial for spintronic applications of nanoribbons. Here, using first-principles calculations, we explore structural stabilities and electronic properties of zigzag silicene nanoribbons (ZSiNRs) with Klein and pentagon-heptagon reconstructions. Comparing to unreconstructed zigzag edges, deformed bare pentagon-heptagon ones are favored under H-poor conditions, while H-rich surroundings stabilize di-hydrogenated Klein edges. These Klein edges have analogous magnetism to zigzag ones, which also possess the electric-field-induced half-metallicity of nanoribbons. Moreover, diverse magnetic states can be achieved by asymmetric Klein and zigzag edges into ZSiNRs, which could be transformed from antiferromagnetic-semiconductors to bipolar spin-gapless-semiconductors and ferromagnetic-metals depending on edge hydrogenations.

  17. Plasmon Resonance in Multilayer Graphene Nanoribbons

    CERN Document Server

    Emani, Naresh Kumar; Chung, Ting-Fung; Prokopeva, Ludmila J; Kildishev, Alexander V; Shalaev, Vladimir M; Chen, Yong P; Boltasseva, Alexandra

    2015-01-01

    Plasmon resonance in nanopatterned single layer graphene nanoribbon (SL-GNR), double layer graphene nanoribbon (DL-GNR) and triple layer graphene nanoribbon (TL-GNR) structures is studied both experimentally and by numerical simulations. We use 'realistic' graphene samples in our experiments to identify the key bottle necks in both experiments and theoretical models. The existence of electrical tunable plasmons in such stacked multilayer GNRs was first experimentally verified by infrared microscopy. We find that the strength of the plasmonic resonance increases in DL-GNR when compared to SL-GNRs. However, we do not find a further such increase in TL-GNRs compared to DL-GNRs. We carried out systematic full wave simulations using finite element technique to validate and fit experimental results, and extract the carrier scattering rate as a fitting parameter. The numerical simulations show remarkable agreement with experiments for unpatterned SLG sheet, and a qualitative agreement for patterned graphene sheet. W...

  18. Resonant longitudinal Zitterbewegung in zigzag graphene nanoribbons

    KAUST Repository

    Ghosh, S.

    2015-01-08

    The Zitterbewegung of a wave packet in a zigzag graphene nanoribbon is theoretically investigated. The coupling between edge states and bulk states results in intriguing properties. Apart from the oscillation in position perpendicular to the direction of motion, we also observe an oscillation along the direction of propagation which is not present in semiconductor nanowires or infinite graphene sheets. We also observe a resonance of its amplitude with respect to the central momentum of the wave packet. We show here that this longitudinal Zitterbewegung is caused by the interplay between bulk and edge states, which is a unique property of a zigzag nanoribbon.

  19. Comparative analysis of different methods for graphene nanoribbon synthesis

    Directory of Open Access Journals (Sweden)

    Tošić Dragana D.

    2013-01-01

    Full Text Available Graphene nanoribbons (GNRs are thin strips of graphene that have captured the interest of scientists due to their unique structure and promising applications in electronics. This paper presents the results of a comparative analysis of morphological properties of graphene nanoribbons synthesized by different methods. Various methods have been reported for graphene nanoribons synthesis. Lithography methods usually include electron-beam (e-beam lithography, atomic force microscopy (AFM lithography, and scanning tunnelling microscopy (STM lithography. Sonochemical and chemical methods exist as well, namely chemical vapour deposition (CVD and anisotropic etching. Graphene nanoribbons can also be fabricated from unzipping carbon nanotubes (CNTs. We propose a new highly efficient method for graphene nanoribbons production by gamma irradiation of graphene dispersed in cyclopentanone (CPO. Surface morphology of graphene nanoribbons was visualized with atomic force and transmission electron microscopy. It was determined that dimensions of graphene nanoribbons are inversely proportional to applied gamma irradiation dose. It was established that the narrowest nanoribbons were 10-20 nm wide and 1 nm high with regular and smooth edges. In comparison to other synthesis methods, dimensions of graphene nanoribbons synthesized by gamma irradiation are slightly larger, but the yield of nanoribbons is much higher. Fourier transform infrared spectroscopy was used for structural analysis of graphene nanoribbons. Results of photoluminescence spectroscopy revealed for the first time that synthesized nanoribbons showed photoluminescence in the blue region of visible light in contrast to graphene nanoribbons synthesized by other methods. Based on disclosed facts, we believe that our synthesis method has good prospects for potential future mass production of graphene nanoribbons with uniform size, as well as for future investigations of carbon nanomaterials for

  20. Grassy Silica Nanoribbons and Strong Blue Luminescence

    Science.gov (United States)

    Wang, Shengping; Xie, Shuang; Huang, Guowei; Guo, Hongxuan; Cho, Yujin; Chen, Jun; Fujita, Daisuke; Xu, Mingsheng

    2016-09-01

    Silicon dioxide (SiO2) is one of the key materials in many modern technological applications such as in metal oxide semiconductor transistors, photovoltaic solar cells, pollution removal, and biomedicine. We report the accidental discovery of free-standing grassy silica nanoribbons directly grown on SiO2/Si platform which is commonly used for field-effect transistors fabrication without other precursor. We investigate the formation mechanism of this novel silica nanostructure that has not been previously documented. The silica nanoribbons are flexible and can be manipulated by electron-beam. The silica nanoribbons exhibit strong blue emission at about 467 nm, together with UV and red emissions as investigated by cathodoluminescence technique. The origins of the luminescence are attributed to various defects in the silica nanoribbons; and the intensity change of the blue emission and green emission at about 550 nm is discussed in the frame of the defect density. Our study may lead to rational design of the new silica-based materials for a wide range of applications.

  1. Grassy Silica Nanoribbons and Strong Blue Luminescence

    Science.gov (United States)

    Wang, Shengping; Xie, Shuang; Huang, Guowei; Guo, Hongxuan; Cho, Yujin; Chen, Jun; Fujita, Daisuke; Xu, Mingsheng

    2016-01-01

    Silicon dioxide (SiO2) is one of the key materials in many modern technological applications such as in metal oxide semiconductor transistors, photovoltaic solar cells, pollution removal, and biomedicine. We report the accidental discovery of free-standing grassy silica nanoribbons directly grown on SiO2/Si platform which is commonly used for field-effect transistors fabrication without other precursor. We investigate the formation mechanism of this novel silica nanostructure that has not been previously documented. The silica nanoribbons are flexible and can be manipulated by electron-beam. The silica nanoribbons exhibit strong blue emission at about 467 nm, together with UV and red emissions as investigated by cathodoluminescence technique. The origins of the luminescence are attributed to various defects in the silica nanoribbons; and the intensity change of the blue emission and green emission at about 550 nm is discussed in the frame of the defect density. Our study may lead to rational design of the new silica-based materials for a wide range of applications. PMID:27666663

  2. Developing accelerometer based on graphene nanoribbon resonators

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Jeong Won, E-mail: jwkang@ut.ac.kr [Department of Computer Engineering, Korea National University of Transportation, Chungju 380-702 (Korea, Republic of); Lee, Jun Ha, E-mail: junha@smu.ac.kr [Department of Computer System Engineering, Sangmyung University, Chonan 330-720 (Korea, Republic of); Hwang, Ho Jung, E-mail: hjhwang@cau.ac.kr [School of Electrical and Electronic Engineering, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Kim, Ki-Sub, E-mail: kks1114@ut.ac.kr [Department of Chemical and Biological Engineering, Korea National University of Transportation, Chungju 380-702 (Korea, Republic of)

    2012-10-01

    We investigated an ultrahigh sensitive accelerometer based on graphene nanoribbon resonators. Sensing acceleration can be made by their resonance frequency shift and/or their capacitance change. Schematics and the static properties were introduced and the dynamic properties were investigated via classical molecular dynamics simulation. As the acceleration increased, the oscillations of the deflections were going dramatically faster and the mean deflections increased, then the capacitance continually varied with large amplitudes and the resonance frequencies linearly increased in a log–log scale by power regression. The energy loss decreased with increasing time, and the average quality factors were dramatically reduced with increasing acceleration. -- Highlights: ► Ultrahigh sensitive accelerometer based on graphene nanoribbon resonators. ► Sensing acceleration by resonance frequency shift and/or capacitance change. ► Resonance frequencies linearly increased with increasing acceleration in a log–log scale. ► Quality factors were dramatically reduced with increasing acceleration.

  3. Piezoelectric nanoribbons for monitoring cellular deformations

    Science.gov (United States)

    Nguyen, Thanh D.; Deshmukh, Nikhil; Nagarah, John M.; Kramer, Tal; Purohit, Prashant K.; Berry, Michael J.; McAlpine, Michael C.

    2012-09-01

    Methods for probing mechanical responses of mammalian cells to electrical excitations can improve our understanding of cellular physiology and function. The electrical response of neuronal cells to applied voltages has been studied in detail, but less is known about their mechanical response to electrical excitations. Studies using atomic force microscopes (AFMs) have shown that mammalian cells exhibit voltage-induced mechanical deflections at nanometre scales, but AFM measurements can be invasive and difficult to multiplex. Here we show that mechanical deformations of neuronal cells in response to electrical excitations can be measured using piezoelectric PbZrxTi1-xO3 (PZT) nanoribbons, and we find that cells deflect by 1 nm when 120 mV is applied to the cell membrane. The measured cellular forces agree with a theoretical model in which depolarization caused by an applied voltage induces a change in membrane tension, which results in the cell altering its radius so that the pressure remains constant across the membrane. We also transfer arrays of PZT nanoribbons onto a silicone elastomer and measure mechanical deformations on a cow lung that mimics respiration. The PZT nanoribbons offer a minimally invasive and scalable platform for electromechanical biosensing.

  4. WSe2 nanoribbons: new high-performance thermoelectric materials.

    Science.gov (United States)

    Chen, Kai-Xuan; Luo, Zhi-Yong; Mo, Dong-Chuan; Lyu, Shu-Shen

    2016-06-28

    In this work, for the first time, we systematically investigate the ballistic transport properties of WSe2 nanoribbons using first-principles methods. Armchair nanoribbons with narrow ribbon width are mostly semiconductive but the zigzag nanoribbons are metallic. Surprisingly, an enhancement in thermoelectric performance is discovered moving from monolayers to nanoribbons, especially armchair ones. The maximum room-temperature thermoelectric figure of merit of 2.2 for an armchair nanoribbon is discovered. This may be contributed to by the effects of the disordered edges, owing to the existence of dangling bonds at the ribbon edge. H-passivation has turned out to be an effective way to stabilize the edge atoms, which enhances the thermodynamic stability of the nanoribbons. In addition, after H-passivation, all of the armchair nanoribbons exhibit semiconductive properties with similar band gaps (∼1.3 eV). Our work provides instructional theoretical evidence for the application of armchair WSe2 nanoribbons as promising thermoelectric materials. The enhancement mechanism of the disordered edge effect can also encourage further exploration to achieve outstanding thermoelectric materials.

  5. Graphene nanoribbons anchored to SiC substrates

    Science.gov (United States)

    Le, Nam B.; Woods, Lilia M.

    2016-09-01

    Graphene nanoribbons are quasi-one-dimensional planar graphene allotropes with diverse properties dependent on their width and types of edges. Graphene nanoribbons anchored to substrates is a hybrid system, which offers novel opportunities for property modifications as well as experimental control. Here we present electronic structure calculations of zigzag graphene nanoribbons chemically attached via the edges to the Si or C terminated surfaces of a SiC substrate. The results show that the edge characteristics are rather robust and the properties are essentially determined by the individual nanoribbon. While the localized spin polarization of the graphene nanoribbon edge atoms is not significantly affected by the substrate, secondary energy gaps in the highest conduction and lowest valence region may emerge in the anchored structures. The van der Waals interaction together with the electrostatic interactions due to the polarity of the surface bonds are found to be important for the structure parameters and energy stability.

  6. Transport properties of zigzag graphene nanoribbon decorated with copper clusters

    Energy Technology Data Exchange (ETDEWEB)

    Berahman, M.; Sheikhi, M. H., E-mail: msheikhi@shirazu.ac.ir [School of Electrical and Computer Eng, Shiraz University, Shiraz (Iran, Islamic Republic of); Nanotechnology Research Institute, Shiraz University, Shiraz (Iran, Islamic Republic of)

    2014-09-07

    Using non-equilibrium green function with density functional theory, the present study investigates the transport properties of decorated zigzag graphene nanoribbon with a copper cluster. We have represented the decoration of zigzag graphene nanoribbon with single copper atom and cluster containing two and three copper atoms. In all the cases, copper atoms tend to occupy the edge state. In addition, we have shown that copper can alter the current-voltage characteristic of zigzag graphene nanoribbon and create new fluctuations and negative differential resistance. These alternations are made due to discontinuity in the combination of orbitals along the graphene nanoribbon. Decoration alters these discontinuities and creates more visible fluctuations. However, in low bias voltages, the changes are similar in all the cases. The study demonstrates that in the decorated zigzag graphene nanoribbon, the edge states are the main states for transporting electron from one electrode to another.

  7. Thermoelectric characterization of individual bismuth selenide topological insulator nanoribbons

    Science.gov (United States)

    Tang, Hao; Wang, Xiaomeng; Xiong, Yucheng; Zhao, Yang; Zhang, Yin; Zhang, Yan; Yang, Juekuan; Xu, Dongyan

    2015-04-01

    Bismuth selenide (Bi2Se3) nanoribbons have attracted tremendous research interest recently to study the properties of topologically protected surface states that enable new opportunities to enhance the thermoelectric performance. However, the thermoelectric characterization of individual Bi2Se3 nanoribbons is rare due to the technological challenges in the measurements. One challenge is to ensure good contacts between the nanoribbon and electrodes in order to determine the thermal and electrical properties accurately. In this work, we report the thermoelectric characterization of individual Bi2Se3 nanoribbons via a suspended microdevice method. Through careful measurements, we have demonstrated that contact thermal resistance is negligible after the electron-beam-induced deposition (EBID) of platinum/carbon (Pt/C) composites at the contacts between the nanoribbon and electrodes. It is shown that the thermal conductivity of the Bi2Se3 nanoribbons is less than 50% of the bulk value over the whole measurement temperature range, which can be attributed to enhanced phonon boundary scattering. Our results indicate that intrinsic Bi2Se3 nanoribbons prepared in this work are highly doped n-type semiconductors, and therefore the Fermi level should be in the conduction band and no topological transport behavior can be observed in the intrinsic system.

  8. Strong resistance of silicene nanoribbons towards oxidation

    Energy Technology Data Exchange (ETDEWEB)

    De Padova, Paola; Quaresima, Claudio; Perfetti, Paolo [CNR-ISM, via Fosso del Cavaliere, 00133 Roma (Italy); Olivieri, Bruno [CNR-ISAC, via Fosso del Cavaliere, 00133 Roma (Italy); Le Lay, Guy, E-mail: paola.depadova@ism.cnr.it [CINaM-CNRS, Campus de Luminy, Case 913, 13288 Marseille Cedex 9 (France)

    2011-08-10

    Silicene, the new allotropic form of silicon, represents an interesting promise for future new nanostructured materials. Here, we investigate the room temperature oxidation of a one-dimensional grating of silicene nanoribbons grown on a Ag(1 1 0) surface by high-resolution Si 2p core level photoemission spectroscopy and low-energy electron diffraction observations. The oxidation process starts at very high oxygen exposures, about 10{sup 4} times higher than on the clean Si(1 1 1)7 x 7 surface, which demonstrates the low reactivity of silicene to molecular oxygen. Ar{sup +}sputtering produces defects, which enhance the oxidation uptake. (fast track communication)

  9. Geometric nonlinearity and mechanical anisotropy in strained helical nanoribbons

    Science.gov (United States)

    Chen, Z.

    2014-07-01

    Fabrication and synthesis of helical nanoribbons have received increasing attention because of the broad applications of helical nanostructures in nano-elecromechanical/micro-electromechanical systems (NEMS/MEMS), sensors, active materials, drug delivery, etc. In this paper, I study the mechanical principles used in designing strained helical nanoribbons, and propose the use of a full three-dimensional finite element method to simulate the coexistence of both left- and right-handed segments in the same strained nanoribbon. This work can both help understand the large deformation behaviours of such nanostructures and assist in the design of helical nanostructures for engineering applications.

  10. Plasmon switching effect based on graphene nanoribbon pair arrays

    Science.gov (United States)

    Liu, Dan; Wu, Lingxi; Liu, Qiong; Zhou, Renlong; Xie, Suxia; Chen, Jiangjiamin; Wu, Mengxiong; Zeng, Lisan

    2016-10-01

    We theoretically demonstrate the existence of plasmon switching effect in graphene nanostructure. By using finite-difference time-domain (FDTD) method, the plasmon resonance modes are studied in graphene nanoribbon pair arrays with the change of Fermi level, graphene width, and carrier mobility. It is found that the Fermi level and graphene width play an important role in changing the distribution of electric energy on different graphene nanoribbons, resulting in a significant plasmon switching effect. Moreover, we study the characteristic of resonance mode of one graphene ribbon by using glass rod with different shape. The effect of kerr material sandwiched between graphene nanoribbon pair is also considered.

  11. Quantum conductance of zigzag graphene oxide nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Kan, Zhe; Nelson, Christopher; Khatun, Mahfuza, E-mail: mkhatun@bsu.edu [Department of Physics and Astronomy, Center for Computational Nanoscience, Ball State University, Muncie, Indiana 47306 (United States)

    2014-04-21

    The electronic properties of zigzag graphene oxide nanoribbons (ZGOR) are presented. The results show interesting behaviors which are considerably different from the properties of the perfect graphene nanoribbons (GNRs). The theoretical methods include a Huckel-tight binding approach, a Green's function methodology, and the Landauer formalism. The presence of oxygen on the edge results in band bending, a noticeable change in density of states and thus the conductance. Consequently, the occupation in the valence bands increase for the next neighboring carbon atom in the unit cell. Conductance drops in both the conduction and valence band regions are due to the reduction of allowed k modes resulting from band bending. The asymmetry of the energy band structure of the ZGOR is due to the energy differences of the atoms. The inclusion of a foreign atom's orbital energies changes the dispersion relation of the eigenvalues in energy space. These novel characteristics are important and valuable in the study of quantum transport of GNRs.

  12. Topological crystalline insulator SnTe nanoribbons

    Science.gov (United States)

    Dahal, Bishnu R.; Dulal, Rajendra P.; Pegg, Ian L.; Philip, John

    2017-03-01

    Topological crystalline insulators are systems in which a band inversion that is protected by crystalline mirror symmetry gives rise to nontrivial topological surface states. SnTe is a topological crystalline insulator. It exhibits p-type conductivity due to Sn vacancies and Te antisites, which leads to high carrier density in the bulk. Thus growth of high quality SnTe is a prerequisite for understanding the topological crystalline insulating behavior. We have grown SnTe nanoribbons using a solution method. The width of the SnTe ribbons varies from 500 nm to 2 μm. They exhibit rock salt crystal structure with a lattice parameter of 6.32 Å. The solution method that we have adapted uses low temperature, so the Sn vacancies can be controlled. The solution grown SnTe nanoribbons exhibit strong semiconducting behavior with an activation energy of 240 meV. This activation energy matches with the calculated band gap for SnTe with a lattice parameter of 6.32 Å, which is higher than that reported for bulk SnTe. The higher activation energy makes the thermal excitation of bulk charges very difficult on the surface. As a result, the topological surfaces will be free from the disturbance caused by the thermal excitations

  13. Coherent radial-breathing-like phonons in graphene nanoribbons

    Science.gov (United States)

    Sanders, G. D.; Nugraha, A. R. T.; Saito, R.; Stanton, C. J.

    2012-05-01

    We have developed a microscopic theory for the generation and detection of coherent phonons in armchair and zigzag graphene nanoribbons using an extended tight-binding model for the electronic states and a valence force field model for the phonons. The coherent phonon amplitudes satisfy a driven oscillator equation with the driving term depending on photoexcited carrier density. We examine the coherent phonon radial-breathing-like mode amplitudes as a function of excitation energies and nanoribbon types. For photoexcitation near the optical absorption edge the coherent phonon driving term for the radial-breathing-like mode is much larger for zigzag nanoribbons where transitions between localized edge states provide the dominant contribution to the coherent phonon driving term. Using an effective mass theory, we explain how the armchair nanoribbon width changes in response to laser excitation.

  14. Quantum capacitance of the armchair-edge graphene nanoribbon

    Indian Academy of Sciences (India)

    Ling-Feng Mao

    2013-08-01

    The quantum capacitance, an important parameter in the design of nanoscale devices, is derived for armchair-edge single-layer graphene nanoribbon with semiconducting property. The quantum capacitance oscillations are found and these capacitance oscillations originate from the lateral quantum confinement in graphene nanoribbon. Detailed studies of the capacitance oscillations demonstrate that the local channel electrostatic potential at the capacitance peak, the height and the number of the capacitance peak strongly depend on the width, especially a few nanometres, of the armchair-edge graphene nanoribbon. It implies that the capacitance oscillations observed in the experiments can be utilized to measure the width of graphene nanoribbon. The results also show that the capacitance oscillations are not seen when the width is larger than 30 nm.

  15. Kerr nonlinearity and plasmonic bistability in graphene nanoribbons

    DEFF Research Database (Denmark)

    Christensen, Thomas; Yan, Wei; Jauho, Antti-Pekka;

    2015-01-01

    We theoretically examine the role of Kerr nonlinearities for graphene plasmonics in nanostructures, specifically in nanoribbons. The nonlinear Kerr interaction is included semiclassically in the intraband approximation. The resulting electromagnetic problem is solved numerically by self-consisten...

  16. Characteristics of Li diffusion on silicene and zigzag nanoribbon

    Science.gov (United States)

    Yan-Hua, Guo; Jue-Xian, Cao; Bo, Xu

    2016-01-01

    We perform a density functional study on the adsorption and diffusion of Li atoms on silicene sheet and zigzag nanoribbons. Our results show that the diffusion energy barrier of Li adatoms on silicene sheet is 0.25 eV, which is much lower than on graphene and Si bulk. The diffusion barriers along the axis of zigzag silicene nanoribbon range from 0.1 to 0.25 eV due to an edge effect, while the diffusion energy barrier is about 0.5 eV for a Li adatom to enter into a silicene nanoribbon. Our calculations indicate that using silicene nanoribbons as anodes is favorable for a Li-ion battery. Project supported by the National Natural Science Foundation of China (Grant Nos. 11074212 and 11204123) and the Natural Science Foundation of Jiangsu province, China (Grant No. BK20130945).

  17. Magnetic properties of a nanoribbon: An effective-field theory

    Science.gov (United States)

    Wang, Jiu-Ming; Jiang, Wei; Zhou, Chen-Long; Shi, Zuo; Wu, Chuang

    2017-02-01

    An effective-field theory is proposed to study magnetic properties of a nanoribbon. The model consists of a core spin-3/2 and shell spin-2 with a ferrimagnetic exchange coupling, which is described by transverse Ising model with the anisotropy. Based on the differential operator technique, the magnetization and the susceptibility formulas of the nanoribbon are given. Numerical results of the magnetization, the susceptibility, the hysteresis loop of the system are discussed for specific values of the parameters. Magnetization plateaus exhibits on the magnetization curves at low temperature. The exchange coupling, the anisotropy and the transverse field have important roles in the magnetic properties for the nanoribbon. Results may provide some guidance to design in the nanoribbons.

  18. Tunable pulse-shaping with gated graphene nanoribbons

    DEFF Research Database (Denmark)

    Prokopeva, Ludmila; Emani, Naresh K.; Boltasseva, Alexandra

    2014-01-01

    We propose a pulse-shaper made of gated graphene nanoribbons. Simulations demonstrate tunable control over the shapes of transmitted and reflected pulses using the gating bias. Initial fabrication and characterization of graphene elements is also discussed.......We propose a pulse-shaper made of gated graphene nanoribbons. Simulations demonstrate tunable control over the shapes of transmitted and reflected pulses using the gating bias. Initial fabrication and characterization of graphene elements is also discussed....

  19. Tunable pulse-shaping with gated graphene nanoribbons

    DEFF Research Database (Denmark)

    Prokopeva, Ludmila; Emani, Naresh K.; Boltasseva, Alexandra

    2014-01-01

    We propose a pulse-shaper made of gated graphene nanoribbons. Simulations demonstrate tunable control over the shapes of transmitted and reflected pulses using the gating bias. Initial fabrication and characterization of graphene elements is also discussed.......We propose a pulse-shaper made of gated graphene nanoribbons. Simulations demonstrate tunable control over the shapes of transmitted and reflected pulses using the gating bias. Initial fabrication and characterization of graphene elements is also discussed....

  20. Origin of multiple band gap values in single width nanoribbons

    Science.gov (United States)

    Goyal, Deepika; Kumar, Shailesh; Shukla, Alok; Kumar, Rakesh

    2016-11-01

    Deterministic band gap in quasi-one-dimensional nanoribbons is prerequisite for their integrated functionalities in high performance molecular-electronics based devices. However, multiple band gaps commonly observed in graphene nanoribbons of the same width, fabricated in same slot of experiments, remain unresolved, and raise a critical concern over scalable production of pristine and/or hetero-structure nanoribbons with deterministic properties and functionalities for plethora of applications. Here, we show that a modification in the depth of potential wells in the periodic direction of a supercell on relative shifting of passivating atoms at the edges is the origin of multiple band gap values in nanoribbons of the same width in a crystallographic orientation, although they carry practically the same ground state energy. The results are similar when calculations are extended from planar graphene to buckled silicene nanoribbons. Thus, the findings facilitate tuning of the electronic properties of quasi-one-dimensional materials such as bio-molecular chains, organic and inorganic nanoribbons by performing edge engineering.

  1. Molecular rectification in triangularly shaped graphene nanoribbons.

    Science.gov (United States)

    Liu, Hongmei; Wang, Hongbo; Zhao, Jianwei; Kiguchi, Manabu

    2013-02-15

    We present a theoretical study of electron transport in tailored zigzag graphene nanoribbons (ZGNRs) with triangular structure using density functional theory together with the nonequilibrium Green's function formalism. We find significant rectification with a favorite electron transfer direction from the vertex to the right edge. The triangular ZGNR connecting to the electrode with one thiol group at each terminal shows an average rectification ratio of 8.4 over the bias range from -1.0 to 1.0 V. This asymmetric electron transport property originates from nearly zero band gap of triangular ZGNR under negative bias, whereas a band gap opens under positive bias. When the molecule is connected to the electrode by multithiol groups, the current is enhanced due to strong interfacial coupling; however, the rectification ratio decreases. The simulation results indicate that the unique electronic states of triangular ZGNR are responsible for rectification, rather than the asymmetric anchoring groups.

  2. Stretchable silicon nanoribbon electronics for skin prosthesis.

    Science.gov (United States)

    Kim, Jaemin; Lee, Mincheol; Shim, Hyung Joon; Ghaffari, Roozbeh; Cho, Hye Rim; Son, Donghee; Jung, Yei Hwan; Soh, Min; Choi, Changsoon; Jung, Sungmook; Chu, Kon; Jeon, Daejong; Lee, Soon-Tae; Kim, Ji Hoon; Choi, Seung Hong; Hyeon, Taeghwan; Kim, Dae-Hyeong

    2014-12-09

    Sensory receptors in human skin transmit a wealth of tactile and thermal signals from external environments to the brain. Despite advances in our understanding of mechano- and thermosensation, replication of these unique sensory characteristics in artificial skin and prosthetics remains challenging. Recent efforts to develop smart prosthetics, which exploit rigid and/or semi-flexible pressure, strain and temperature sensors, provide promising routes for sensor-laden bionic systems, but with limited stretchability, detection range and spatio-temporal resolution. Here we demonstrate smart prosthetic skin instrumented with ultrathin, single crystalline silicon nanoribbon strain, pressure and temperature sensor arrays as well as associated humidity sensors, electroresistive heaters and stretchable multi-electrode arrays for nerve stimulation. This collection of stretchable sensors and actuators facilitate highly localized mechanical and thermal skin-like perception in response to external stimuli, thus providing unique opportunities for emerging classes of prostheses and peripheral nervous system interface technologies.

  3. Stretchable silicon nanoribbon electronics for skin prosthesis

    Science.gov (United States)

    Kim, Jaemin; Lee, Mincheol; Shim, Hyung Joon; Ghaffari, Roozbeh; Cho, Hye Rim; Son, Donghee; Jung, Yei Hwan; Soh, Min; Choi, Changsoon; Jung, Sungmook; Chu, Kon; Jeon, Daejong; Lee, Soon-Tae; Kim, Ji Hoon; Choi, Seung Hong; Hyeon, Taeghwan; Kim, Dae-Hyeong

    2014-12-01

    Sensory receptors in human skin transmit a wealth of tactile and thermal signals from external environments to the brain. Despite advances in our understanding of mechano- and thermosensation, replication of these unique sensory characteristics in artificial skin and prosthetics remains challenging. Recent efforts to develop smart prosthetics, which exploit rigid and/or semi-flexible pressure, strain and temperature sensors, provide promising routes for sensor-laden bionic systems, but with limited stretchability, detection range and spatio-temporal resolution. Here we demonstrate smart prosthetic skin instrumented with ultrathin, single crystalline silicon nanoribbon strain, pressure and temperature sensor arrays as well as associated humidity sensors, electroresistive heaters and stretchable multi-electrode arrays for nerve stimulation. This collection of stretchable sensors and actuators facilitate highly localized mechanical and thermal skin-like perception in response to external stimuli, thus providing unique opportunities for emerging classes of prostheses and peripheral nervous system interface technologies.

  4. Floquet edge states in germanene nanoribbons

    KAUST Repository

    Tahir, M.

    2016-08-23

    We theoretically demonstrate versatile electronic properties of germanene monolayers under circularly, linearly, and elliptically polarized light. We show for the high frequency regime that the edge states can be controlled by tuning the amplitude of the light and by applying a static electric field. For circularly polarized light the band gap in one valley is reduced and in the other enhanced, enabling single valley edge states. For linearly polarized light spin-split states are found for both valleys, being connected by time reversal symmetry. The effects of elliptically polarized light are similar to those of circularly polarized light. The transport properties of zigzag nanoribbons in the presence of disorder confirm a nontrivial nature of the edge states under circularly and elliptically polarized light.

  5. Exciton absorption in narrow armchair graphene nanoribbons

    Science.gov (United States)

    Monozon, B. S.; Schmelcher, P.

    2016-11-01

    We develop an analytical approach to the exciton optical absorption for narrow gap armchair graphene nanoribbons (AGNR). We focus on the regime of dominant size quantization in combination with the attractive electron-hole interaction. An adiabatic separation of slow and fast motions leads via the two-body Dirac equation to the isolated and coupled subband approximations. Discrete and continuous exciton states are in general coupled and form quasi-Rydberg series of purely discrete and resonance type character. The corresponding oscillator strengths and widths are derived. We show that the exciton peaks are blue-shifted, become broader and increase in magnitude upon narrowing the ribbon. At the edge of a subband the singularity related to the 1D density of states is transformed into finite absorption via the presence of the exciton. Our analytical results are in good agreement with those obtained by other methods including numerical approaches. Estimates of the expected experimental values are provided for realistic AGNR.

  6. Graphene nanoribbons: Relevance of etching process

    Energy Technology Data Exchange (ETDEWEB)

    Simonet, P., E-mail: psimonet@phys.ethz.ch; Bischoff, D.; Moser, A.; Ihn, T.; Ensslin, K. [Solid State Physics Laboratory, ETH Zurich, Zurich 8093 (Switzerland)

    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 by more or larger localized states at the edges of the ashed device compared to the RIE defined device.

  7. Quantum correlations in chiral graphene nanoribbons

    Science.gov (United States)

    Tan, Xiao-Dong; Koop, Cornelie; Liao, Xiao-Ping; Sun, Litao

    2016-11-01

    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.

  8. Magnetothermoelectric transport properties of multiterminal graphene nanoribbons

    Science.gov (United States)

    Wei, Miao-Miao; Zhang, Ying-Tao; Guo, Ai-Min; Liu, Jian-Jun; Xing, Yanxia; Sun, Qing-Feng

    2016-06-01

    The Peltier effect and the Ettingshausen effect are investigated in graphene nanoribbons, where charge current produces heat current along the longitudinal direction in the former case, and longitudinal charge current generates transverse heat current in the latter case. With the aid of the nonequilibrium Green's function and the Landauer-Büttiker formalism, the Peltier coefficient Πc and the Ettingshausen coefficient Ec are obtained. We found that the Kelvin relation is always valid for the longitudinal thermoelectric transport, i.e., Πc=T Sc , with T the temperature and Sc the Seebeck coefficient. In contrast, for transverse magnetothermoelectric transport, the Kelvin relation breaks down and Ec≠T Nc usually, with Nc the Nernst coefficient. In the region of weak magnetic field, the Ettingshausen effect depends strongly on device parameters. When the Fermi energy EF is close to the Dirac point, the Ettingshausen effect of the semiconducting armchair graphene nanoribbon is much stronger than that of the metallic one. When EF is far away from the Dirac point, the Ettingshausen coefficient Ec oscillates around zero. When under a strong magnetic field, Ec is independent of the device parameters and swells only near the Dirac point. Further, the dependence of Ec on EF can be scaled by EF/kBT , with a peak value of (2 ln2 ) kBT /e for the three-terminal system and (4/3 ln2 ) kBT /e for the four-terminal system. We also study the impact of disorder on the Ettingshausen effect. Regardless of the magnetic field strength, Ec is robust against moderate disorder scattering. In addition, in the strong magnetic field, Ec with additional regular oscillating structure can be caused by disorder.

  9. Plasmon Modes of Graphene Nanoribbons with Periodic Planar Arrangements

    Science.gov (United States)

    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.

  10. Electronic states of graphene nanoribbons and analytical solutions

    Directory of Open Access Journals (Sweden)

    Katsunori Wakabayashi, Ken-ichi Sasaki, Takeshi Nakanishi and Toshiaki Enoki

    2010-01-01

    Full Text Available Graphene is a one-atom-thick layer of graphite, where low-energy electronic states are described by the massless Dirac fermion. The orientation of the graphene edge determines the energy spectrum of π-electrons. For example, zigzag edges possess localized edge states with energies close to the Fermi level. In this review, we investigate nanoscale effects on the physical properties of graphene nanoribbons and clarify the role of edge boundaries. We also provide analytical solutions for electronic dispersion and the corresponding wavefunction in graphene nanoribbons with their detailed derivation using wave mechanics based on the tight-binding model. The energy band structures of armchair nanoribbons can be obtained by making the transverse wavenumber discrete, in accordance with the edge boundary condition, as in the case of carbon nanotubes. However, zigzag nanoribbons are not analogous to carbon nanotubes, because in zigzag nanoribbons the transverse wavenumber depends not only on the ribbon width but also on the longitudinal wavenumber. The quantization rule of electronic conductance as well as the magnetic instability of edge states due to the electron–electron interaction are briefly discussed.

  11. Vertically aligned and hexagonal crystal ZnSe nanoribbon arrays on Zn substrates

    Institute of Scientific and Technical Information of China (English)

    PANG Qi; ZHAO Li-juan; GE Wei-kun; WANG Jian-nong; FANG Yue-ping; WEN Xiao-gang; YANG Shi-he

    2006-01-01

    The vertically aligned and hexagonal ZnSe nanoribbon array can be easily obtained by heating ZnSe:0.38 en precursors (en=ethylenediamine),while ZnSe precursor nanoribbon arrays are grown directly on Zn foils in en using the solvothermal method.The nanoribbons are mostly about 4 nm in thickness,100-300 nm in width,and 2 μm in length.The characteristics observed using scanning electron microscopy and X-ray diffraction indicate that the ZnSe precursor as well as ZnSe nanoribbons are vertically aligned on almost the whole zinc foil surface and form a large-scale uniform array.Particularly,ZnSe precursor nanoribbons are hybrid materials of ZnSe and en,while ZnSe nanoribbons are in the from of hexagonal structures.Possible growth mechanisms of the ZnSe precursor nanoribbon arrays are also proposed.

  12. Edge eigen-stress and eigen-displacement of armchair molybdenum disulfide nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Quan; Li, Xi [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China); Volinsky, Alex A., E-mail: volinsky@usf.edu [Department of Mechanical Engineering, University of South Florida, Tampa, FL 33620 (United States); Su, Yanjing, E-mail: yjsu@ustb.edu.cn [Corrosion and Protection Center, Key Laboratory for Environmental Fracture (MOE), University of Science and Technology Beijing, Beijing 100083 (China)

    2017-05-10

    Edge effects on mechanical properties of armchair molybdenum disulfide nanoribbons were investigated using first principles calculations. The edge eigen-stress model was applied to explain the relaxation process of forming molybdenum disulfide nanoribbon. Edge effects on surface atoms fluctuation degree were obtained from each fully relaxed nanoribbon with different width. Changes of the relaxed armchair molybdenum disulfide nanoribbons structure can be expressed using hexagonal perimeters pattern. Based on the thickness change, relaxed armchair molybdenum disulfide nanoribbons tensile/compression tests were simulated, providing intrinsic edge elastic parameters, such as eigen-stress, Young's modulus and Poisson's ratio. - Highlights: • Edge effects on mechanical properties of armchair MoS{sub 2} nanoribbons were investigated. • Structure changes of different width armchair MoS{sub 2} nanoribbons were obtained. • Tensile/compressive tests were conducted to determine elastic constants. • Mechanical properties are compared for two and three dimensional conditions.

  13. Detecting the Biopolymer Behavior of Graphene Nanoribbons in Aqueous Solution

    Science.gov (United States)

    Wijeratne, Sithara S.; Penev, Evgeni S.; Lu, Wei; Li, Jingqiang; Duque, Amanda L.; Yakobson, Boris I.; Tour, James M.; Kiang, Ching-Hwa

    2016-01-01

    Graphene nanoribbons (GNR), can be prepared in bulk quantities for large-area applications by reducing the product from the lengthwise oxidative unzipping of multiwalled carbon nanotubes (MWNT). Recently, the biomaterials application of GNR has been explored, for example, in the pore to be used for DNA sequencing. Therefore, understanding the polymer behavior of GNR in solution is essential in predicting GNR interaction with biomaterials. Here, we report experimental studies of the solution-based mechanical properties of GNR and their parent products, graphene oxide nanoribbons (GONR). We used atomic force microscopy (AFM) to study their mechanical properties in solution and showed that GNR and GONR have similar force-extension behavior as in biopolymers such as proteins and DNA. The rigidity increases with reducing chemical functionalities. The similarities in rigidity and tunability between nanoribbons and biomolecules might enable the design and fabrication of GNR-biomimetic interfaces. PMID:27503635

  14. Growth of Graphene Nanoribbons and Carbon Onions from Polymer

    Institute of Scientific and Technical Information of China (English)

    GUO Xiao-Song; LU Bing-An; XIE Er-Qing

    2011-01-01

    Graphene nanoribbons and carbon onions are directly prepared by electron beam irradiation of polyacrylonitrile and expanded polystyrene nanofibers,respectively.By controlling the irradiation process in a high resolution transmission electron microscope,the number of layers of the graphene nanoribbons,as well as the dimension of the carbon onions,can be controlled.It is found that the initial diameter of the nanofiber has a strong effect on the final results.A mechanism is proposed to explain the transformation of polymer nanofibers to carbon nanostructures under electron beam irradiation.This supposes that the polymer nanofibers are first carbonized and then graphitized as a result of the high energy electrons.According to the mechanism,it is believed that all polymer nanofibers could be carbonized and then converted to graphene nanoribbons by proper electron beam irradiation.

  15. Quantum inductance and high frequency oscillators in graphene nanoribbons.

    Science.gov (United States)

    Begliarbekov, Milan; Strauf, Stefan; Search, Christopher P

    2011-04-22

    Here we investigate high frequency AC transport through narrow graphene nanoribbons with top-gate potentials that form a localized quantum dot. We show that as a consequence of the finite dwell time of an electron inside the quantum dot (QD), the QD behaves like a classical inductor at sufficiently high frequencies ω ≥ GHz. When the geometric capacitance of the top-gate and the quantum capacitance of the nanoribbon are accounted for, the admittance of the device behaves like a classical serial RLC circuit with resonant frequencies ω ∼ 100-900 GHz and Q-factors greater than 10(6). These results indicate that graphene nanoribbons can serve as all-electronic ultra-high frequency oscillators and filters, thereby extending the reach of high frequency electronics into new domains.

  16. Detecting the Biopolymer Behavior of Graphene Nanoribbons in Aqueous Solution

    Science.gov (United States)

    Wijeratne, Sithara S.; Penev, Evgeni S.; Lu, Wei; Li, Jingqiang; Duque, Amanda L.; Yakobson, Boris I.; Tour, James M.; Kiang, Ching-Hwa

    2016-08-01

    Graphene nanoribbons (GNR), can be prepared in bulk quantities for large-area applications by reducing the product from the lengthwise oxidative unzipping of multiwalled carbon nanotubes (MWNT). Recently, the biomaterials application of GNR has been explored, for example, in the pore to be used for DNA sequencing. Therefore, understanding the polymer behavior of GNR in solution is essential in predicting GNR interaction with biomaterials. Here, we report experimental studies of the solution-based mechanical properties of GNR and their parent products, graphene oxide nanoribbons (GONR). We used atomic force microscopy (AFM) to study their mechanical properties in solution and showed that GNR and GONR have similar force-extension behavior as in biopolymers such as proteins and DNA. The rigidity increases with reducing chemical functionalities. The similarities in rigidity and tunability between nanoribbons and biomolecules might enable the design and fabrication of GNR-biomimetic interfaces.

  17. Heterospin Junctions in Zigzag-Edged Graphene Nanoribbons

    Directory of Open Access Journals (Sweden)

    Eduardo C. Girão

    2014-08-01

    Full Text Available We propose a graphene nanoribbon-based heterojunction, where a defect-free interface separates two zigzag graphene nanoribbons prepared in opposite antiferromagnetic spin configurations. This heterospin junction is found to allow the redirecting of low-energy electrons from one edge to the other. The basic scattering mechanisms and their relation to the system’s geometry are investigated through a combination of Landauer–Green’s function and the S-matrix and eigen-channel methods within a tight-binding + Hubbard model validated with density functional theory. The findings demonstrate the possibility of using zigzag-edged graphene nanoribbons (zGNRs in complex networks where current can be transmitted across the entire system, instead of following the shortest paths along connected edges belonging to the same sub-lattice.

  18. Asymmetric bilayer graphene nanoribbon MOSFETs for analog and digital electronics

    Science.gov (United States)

    Dinarvand, A.; Ahmadi, V.; Darvish, Gh.

    2016-05-01

    In this paper, a new structure was proposed for bilayer graphene nanoribbon field-effect transistor (BGNFET) mainly to enhance the electrical characteristics in analog and digital applications. The proposed device uses two metallic gates on the top and bottom of a bilayer graphene nanoribbon, which is surrounded by SiO2 and connected to heavily doped source/drain contacts. Electrical properties of the proposed device were explored using fully self-consistent solution of Poisson and Schrödinger equations based on the nonequilibrium Green's function (NEGF) formalism. Significant improvements in the electrical behavior was seen in the simulation results for gates asymmetrically biased. The comparison with graphene nanoribbon FET showed that the proposed structure benefited from higher intrinsic voltage gain and cut-off frequency and improved switching characteristics such as delay and Ion/Ioff ratio.

  19. The unique chemical reactivity of a graphene nanoribbon's zigzag edge

    CERN Document Server

    Jiang, D; Sumpter, B G; Dai, Sheng; Jiang, De-en; Sumpter, Bobby G.

    2007-01-01

    The zigzag edge of a graphene nanoribbon possesses a unique electronic state that is near the Fermi level and localized at the edge carbon atoms. We investigate the chemical reactivity of these zigzag edge sites by examining their reaction energetics with common radicals from first principles. A "partial radical" concept for the edge carbon atoms is introduced to characterize their chemical reactivity, and the validity of this concept is verified by comparing the dissociation energies of edge-radical bonds with similar bonds in molecules. In addition, the uniqueness of the zigzag-edged graphene nanoribbon is further demonstrated by comparing it with other forms of sp2 carbons, including a graphene sheet, nanotubes, and an armchair-edged graphene nanoribbon.

  20. Electron polarization function and plasmons in metallic armchair graphene nanoribbons

    DEFF Research Database (Denmark)

    Shylau, A. A.; Badalyan, S. M.; Peeters, F. M.

    2015-01-01

    Plasmon excitations in metallic armchair graphene nanoribbons are investigated using the random phase approximation. An exact analytical expression for the polarization function of Dirac fermions is obtained, valid for arbitrary temperature and doping. We find that at finite temperatures, due...... mode whose energy dispersion is determined by the graphene's fine structure constant. In the case of two Coulomb-coupled nanoribbons, this plasmon splits into in-phase and out-of-phase plasmon modes with splitting energy determined by the inter-ribbon spacing....

  1. Graphene nanoribbon molecular sensor based on inelastic transport

    Energy Technology Data Exchange (ETDEWEB)

    Ritter, C. [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); Muniz, R. B.; Latgé, A. [Instituto de Física, Universidade Federal Fluminense SN, 24210-360 Niterói-RJ (Brazil)

    2014-04-07

    Results of phonon-assisted inelastic quantum transport calculations are presented for graphene nanoribbons. We consider a single molecule attached to a carbon atom and describe the electronic structure by a tight-binding model, taking into account a local phonon mode associated with the attached molecule characteristic vibration. The calculated transmission spectra reveal a striking sensitivity for molecules attached to the edges of asymmetric zigzag graphene nanoribbons. Our results show that the differential conductance may be used to identify the presence as well as the characteristic vibration frequency of a target molecule at finite temperatures.

  2. Electronic properties of Li-doped zigzag graphene nanoribbons

    Science.gov (United States)

    Narin, P.; Kutlu, E.; Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, E.

    2016-10-01

    Zigzag graphene nanoribbons (ZGNRs) are known to exhibit metallic behavior. Depending on structural properties such as edge status, doping and width of nanoribbons, the electronic properties of these structures may vary. In this study, changes in electronic properties of crystal by doping Lithium (Li) atom to ZGNR structure are analyzed. In spin polarized calculations are made using Density Functional Theory (DFT) with generalized gradient approximation (GGA) as exchange correlation. As a result of calculations, it has been determined that Li atom affects electronic properties of ZGNR structure significantly. It is observed that ZGNR structure exhibiting metallic behavior in pure state shows half-metal and semiconductor behavior with Li atom.

  3. Molecular dynamics of halogenated graphene - hexagonal boron nitride nanoribbons

    Science.gov (United States)

    Nemnes, G. A.; Visan, Camelia; Anghel, D. V.; Manolescu, A.

    2016-08-01

    The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using ab initio density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a few interatomic distances wide. Several structures are analyzed, namely pristine graphene, hBN and G-hBN systems. By passivating the nanoribbon edges with hydrogen and different halogen atoms, one may tune the electronic and mechanical properties, like the band gap energies and the natural frequencies of vibration.

  4. Tunable thermoelectric properties in bended graphene nanoribbons

    Science.gov (United States)

    Chang-Ning, Pan; Jun, He; Mao-Fa, Fang

    2016-07-01

    The ballistic thermoelectric properties in bended graphene nanoribbons (GNRs) are systematically investigated by using atomistic simulation of electron and phonon transport. We find that the electron resonant tunneling effect occurs in the metallic-semiconducting linked ZZ-GNRs (the bended GNRs with zigzag edge leads). The electron-wave quantum interference effect occurs in the metallic-metallic linked AA-GNRs (the bended GNRs with armchair edge leads). These different physical mechanisms lead to the large Seebeck coefficient S and high electron conductance in bended ZZ-GNRs/AA-GNRs. Combined with the reduced lattice thermal conduction, the significant enhancement of the figure of merit ZT is predicted. Moreover, we find that the ZTmax (the maximum peak of ZT) is sensitive to the structural parameters. It can be conveniently tuned by changing the interbend length of bended GNRs. The magnitude of ZT ranges from the 0.15 to 0.72. Geometry-controlled ballistic thermoelectric effect offers an effective way to design thermoelectric devices such as thermocouples based on graphene. Project supported by the National Natural Science Foundation of China (Grant No. 61401153) and the Natural Science Foundation of Hunan Province, China (Grant Nos. 2015JJ2050 and 14JJ3126).

  5. Graphene nanoribbon devices at high bias

    Science.gov (United States)

    Han, Melinda Y.; Kim, Philip

    2014-02-01

    We present the electron transport in graphene nanoribbons (GNRs) at high electric bias conduction. When graphene is patterned into a few tens of nanometer width of a ribbon shape, the carriers are confined to a quasi-one-dimensional (1D) system. Combining with the disorders in the system, this quantum confinement can lead into a transport gap in the energy spectrum of the GNRs. Similar to CNTs, this gap depends on the width of the GNR. In this review, we examine the electronic properties of lithographically fabricated GNRs, focusing on the high bias transport characteristics of GNRs as a function of density tuned by a gate voltage. We investigate the transport behavior of devices biased up to a few volts, a regime more relevant for electronics applications. We find that the high bias transport behavior in this limit can be described by hot electron scattered by the surface phonon emission, leading to a carrier velocity saturation. We also showed an enhanced current saturation effect in the GNRs with an efficient gate coupling. This effect results from the introduction of the charge neutrality point into the channel, and is similar to pinch-off in MOSFET devices. We also observe that heating effects in graphene at high bias are significant.

  6. Tunable thermoelectric properties in bended graphene nanoribbons

    Institute of Scientific and Technical Information of China (English)

    潘长宁; 何军; 方卯发

    2016-01-01

    The ballistic thermoelectric properties in bended graphene nanoribbons (GNRs) are systematically investigated by using atomistic simulation of electron and phonon transport. We find that the electron resonant tunneling effect occurs in the metallic–semiconducting linked ZZ-GNRs (the bended GNRs with zigzag edge leads). The electron-wave quan-tum interference effect occurs in the metallic–metallic linked AA-GNRs (the bended GNRs with armchair edge leads). These different physical mechanisms lead to the large Seebeck coefficient S and high electron conductance in bended ZZ-GNRs/AA-GNRs. Combined with the reduced lattice thermal conduction, the significant enhancement of the figure of merit ZT is predicted. Moreover, we find that the ZTmax (the maximum peak of ZT) is sensitive to the structural parameters. It can be conveniently tuned by changing the interbend length of bended GNRs. The magnitude of ZT ranges from the 0.15 to 0.72. Geometry-controlled ballistic thermoelectric effect offers an effective way to design thermoelectric devices such as thermocouples based on graphene.

  7. Inner Surface Chirality of Single-Handed Twisted Carbonaceous Tubular Nanoribbons.

    Science.gov (United States)

    Liu, Dan; Li, Baozong; Guo, Yongmin; Li, Yi; Yang, Yonggang

    2015-11-01

    Single-handed twisted 4,4'-biphenylene-bridged polybissilsesquioxane tubular nanoribbons and single-layered nanoribbons were prepared by tuning the water/ethanol volume ratio in the reaction mixture at pH = 11.6 through a supramolecular templating approach. The single-layered nanoribbons were formed by shrinking tubular nanoribbons after the removal of the templates. In addition, solvent-induced handedness inversion was achieved. The handedness of the polybissilsesquioxanes could be controlled by changing the ethanol/water volume ratio in the reaction mixture. After carbonization at 900 °C for 4.0 h and removal of silica, single-handed twisted carbonaceous tubular nanoribbons and single-layered nanoribbons with micropores in the walls were obtained. X-ray diffraction and Raman spectroscopy analyses indicated that the carbon is predominantly amorphous. The circular dichroism spectra show that the twisted tubular nanoribbons exhibit optical activity, while the twisted single-layered nanoribbons do not. The results shown here indicate that chirality is transferred from the organic self-assemblies to the inner surfaces of the 4,4'-biphenylene-bridged polybissilsesquioxane tubular nanoribbons and subsequently to those of the carbonaceous tubular nanoribbons.

  8. Electron transport in edge-disordered graphene nanoribbons

    DEFF Research Database (Denmark)

    Saloriutta, Karri; Hancock, Y.; Karkkainen, Asta

    2011-01-01

    Ab initio methods are used to study the spin-resolved transport properties of graphene nanoribbons (GNRs) that have both chemical and structural edge disorder. Oxygen edge adsorbates on ideal and protruded ribbons are chosen as representative examples, with the protrusions forming the smallest po...

  9. Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

    DEFF Research Database (Denmark)

    Christensen, Rasmus Bjerregaard; Lu, Jing Tao; Hedegard, Per

    2016-01-01

    We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from...

  10. Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

    DEFF Research Database (Denmark)

    Christensen, Rasmus Bjerregaard; Lu, Jing Tao; Hedegard, Per

    2016-01-01

    We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from...

  11. Polarized light source based on graphene-nanoribbon hybrid structure

    Science.gov (United States)

    Xu, Pengfei; Zhang, Han; Qian, Haoliang; Chen, Bigeng; Jiang, Xiaoshun; Wu, Yuanpeng; Liu, Xiaowei; Liu, Xu; Yang, Qing

    2017-07-01

    Nanoscale light source is the key element for on-chip integrated optical communication system. As an important property of light source, polarization can be exploited to improve the information capacity of optical communication and the sensitivity of optical sensing. We demonstrate a novel TE-polarized light source based on graphene-nanoribbon (G-NR) hybrid structure. Thanks to the polarizing dependent absorption along graphene layer, the random polarized emission of nanoribbon (NR) can be transferred into the same TE polarization. In addition, lasing action in G-NR hybrid structure is also investigated. We attribute the polarization control to the differential attenuation of electromagnetic modes in graphene. Our simulation revealed electromagnetic field distribution and far field polar images of TE and TM modes in nanoribbon, which is consistent with experimental results. The compact G-NR hybrid structure light source offers a new way to realize the polarization controllable nanoscale light source and facilitate the practical applications of nanowire or nanoribbon light source.

  12. Phosphorene Nanoribbons: Electronic Structure and Electric Field Modulation

    Science.gov (United States)

    Soleimanikahnoj, Sina; Knezevic, Irena

    Phosphorene, a newcomer among the 2D van der Waals materials, has attracted the attention of many scientists due to its promising electronic properties. Monolayer phosphorene has a direct band gap of 2 eV located at the Gamma point of the Brillouin zone. Increasing the number of layers reduces the bandgap due to the van der Waals interaction. The direct nature of the bandgap makes phosphorene particularly favorable for electronic transport and optoelectronic applications. While multilayer phosphorene sheets have been studied, the electronic properties of their 1D counterparts are still unexplored. An accurate tight-binding model was recently proposed for multilayer phosphorene nanoribbons. Employing this model along with the non-equilibrium Green's function method, we calculate the band structure and electronic properties of phosphorene nanoribbons. We show that, depending on the edge termination, phosphorene nanoribbons can be metallic or semiconducting. Our analysis also shows that the electronic properties of phosphorene nanoribbons are highly tunable by in-plane and out-of-plane electric fields. In metallic ribbons, the conductance can be switched off by a threshold electric field, similar to field effect devices. Support by the NSF through the University of Wisconsin MRSEC Seed (NSF Award DMR-1121288).

  13. Tuning the magnetic moments in zigzag graphene nanoribbons

    DEFF Research Database (Denmark)

    Chen, Jingzhe; Vanin, Marco; Hu, Yibin;

    2012-01-01

    We report a systematic theoretical investigation of the effects of metal substrates on the local magnetic moments of zigzag graphene nanoribbons (ZGNRs). Representative metal surfaces of Au, Pt, Ni, Cu, Al, Ag, and Pd have been analyzed from atomic first principles. Results show that the local ma...

  14. Controlled synthesis of graphene nanoribbons for field effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jun; Huang, Lihai [College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, 310018 (China); Zhang, Yupeng, E-mail: ypzhang018@gmail.com [Department of Materials Engineering, Monash University, Victoria, 3800 (Australia); Xue, Yunzhou, E-mail: yunzhou.xue@monash.edu [Department of Materials Engineering, Monash University, Victoria, 3800 (Australia); Zhang, Erpan [College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, 310018 (China); Wang, Hongbo [College of Automation, Hangzhou Dianzi University, Hangzhou, 310018 (China); Kong, Zhe; Xi, Junhua; Ji, Zhenguo [College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, 310018 (China)

    2015-11-15

    In this work, a template CVD method to produce graphene nanoribbons (GNRs) was developed with Cu nanoribbons as catalyst. Appropriate temperature, growth time and cooling rate were investigated and displayed the great importance for obtaining GNRs. The morphology, thickness and crystalline quality of the GNRs were characterized by the SEM, AFM, TEM (HRTEM and TEM diffraction), and Raman spectroscopy respectively, which indicated the GNRs had much narrower width, less layer numbers, smooth edges and higher crystalline compared to previous ones. Moreover, the electrical properties of the GNRs were measured and the mobilities reach 80–300 cm{sup 2} V{sup −1} s{sup −1}. This research provides a new type of GNRs experimentally, which is of great importance for the graphene applications. - Graphical abstract: Graphene nanoribbons obtained via CVD method show high quality, small width and smooth edges and were used to fabricated FETs with extracted mobilities of 80–300 cm{sup 2} V{sup −1} s{sup −1}. Highlights: • Graphene nanoribbons (GNRs) were obtained via a template CVD method. • The GNRs have narrower width, less layer numbers and smooth edges. • The mobilities of the GNRs reach 80–300 cm{sup 2} V{sup −1} s{sup −1}.

  15. Energy gap of novel edge-defected graphene nanoribbons

    Science.gov (United States)

    Yuan, Weiqing; Wen, Zhongquan; Li, Min; Chen, Li; Chen, Gang; Ruan, Desheng; Gao, Yang

    2016-08-01

    Herein, the effects of width and boundary defects on the energy gap of graphene nanoribbons (GNRs) have been explored and theoretically investigated by means of semi-empirical atomic basis Extended Hückel method. Due to the existence of boundary defects, the energy gap of GNRs is mainly determined by the width of graphene nanoribbons for armchair graphene nanoribbons (AGNRs) or zigzag graphene nanoribbons (ZGNRs). Interestingly, the energy gap of AGNRs with a 120° V-type defect displays the monotone decreasing tendency when the width reaches to 2 nm, while the energy gap of intrinsic AGNRs is oscillatory. At the same time, the energy gap of U-type defected ZGNRs is opened, which differs from the zero energy gap characteristics of the intrinsic zigzag graphene. Furthermore, the size of energy gap of the defected AGNRs and ZGNRs with the same width is proved to be very close. Calculation results demonstrate that the energy gap of GNRs is just inversely proportional to the width and has little to do with the crystallographic direction. All the findings above provide a basis for energy gap engineering with different edge defects in GNRs and signify promising prospects in graphene-based semiconductor electronic devices.

  16. Plasmons in spatially separated double-layer graphene nanoribbons

    Science.gov (United States)

    Bagheri, Mehran; Bahrami, Mousa

    2014-05-01

    Motivated by innovative progresses in designing multi-layer graphene nanostructured materials in the laboratory, we theoretically investigate the Dirac plasmon modes of a spatially separated double-layer graphene nanoribbon system, made up of a vertically offset armchair and metallic graphene nanoribbon pair. We find striking features of the collective excitations in this novel Coulomb correlated system, where both nanoribbons are supposed to be either intrinsic (undoped/ungated) or extrinsic (doped/gated). In the former, it is shown the low-energy acoustical and the high-energy optical plasmon modes are tunable only by the inter-ribbon charge separation. In the later, the aforementioned plasmon branches are modified by the added doping factor. As a result, our model could be useful to examine the existence of a linear Landau-undamped low-energy acoustical plasmon mode tuned via the inter-ribbon charge separation as well as doping. This study might also be utilized for devising novel quantum optical waveguides based on the Coulomb coupled graphene nanoribbons.

  17. Magnetic, electronic and optical properties of different graphene, BN and BC2N nanoribbons

    Science.gov (United States)

    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.

  18. Spectacular enhancement of thermoelectric phenomena in chemically synthesized graphene nanoribbons with substitution atoms.

    Science.gov (United States)

    Zberecki, K; Swirkowicz, R; Wierzbicki, M; Barnaś, J

    2016-07-21

    We analyze theoretically the transport and thermoelectric properties of graphene nanoribbons of a specific geometry, which have been synthesized recently from polymers [Cai, et al., Nature, 2011, 466, 470]. When such nanoribbons are modified at one of the two edges by Al or N substitutions, they acquire a ferromagnetic moment localized at the modified edge. We present numerical results on the electronic structure and thermoelectric properties (including also spin thermoelectricity) of the modified nanoribbons. The results show that such nanoribbons can display large thermoelectric efficiency in certain regions of chemical potential, where the corresponding electric and spin figures of merit achieve unusually large values. The enhancement of thermoelectric efficiency follows from a reduced phonon heat conductance of the nanoribbons and from their peculiar electronic band structure. Thus, such nanoribbons are promising for practical applications in nanoelectronic and spintronic devices.

  19. Parity conservation in electron-phonon scattering in zigzag graphene nanoribbon

    Science.gov (United States)

    Chu, Yanbiao; Gautreau, Pierre; Basaran, Cemal

    2014-09-01

    In contrast with carbon nanotubes, the absence of translational symmetry (or periodical boundary condition) in the restricted direction of zigzag graphene nanoribbon removes the selection rule of subband number conservation. However, zigzag graphene nanoribbons with even dimers do have the inversion symmetry. We, therefore, propose a selection rule of parity conservation for electron-phonon interactions. The electron-phonon scattering matrix in zigzag graphene nanoribbons is developed using the tight-binging model within the deformation potential approximation.

  20. The Effect of Bilayer Graphene Nanoribbon Geometry on Schottky-Barrier Diode Performance

    OpenAIRE

    Meisam Rahmani; Razali Ismail; Mohammad Taghi Ahmadi; Mohammad Javad Kiani; Mehdi Saeidmanesh; F. A. Hediyeh Karimi; Elnaz Akbari; Komeil Rahmani

    2013-01-01

    Bilayer graphene nanoribbon is a promising material with outstanding physical and electrical properties that offers a wide range of opportunities for advanced applications in future nanoelectronics. In this study, the application of bilayer graphene nanoribbon in schottky-barrier diode is explored due to its different stacking arrangements. In other words, bilayer graphene nanoribbon schottky-barrier diode is proposed as a result of contact between a semiconductor (AB stacking) and metal (AA ...

  1. Bottom-up graphene-nanoribbon fabrication reveals chiral edges and enantioselectivity.

    Science.gov (United States)

    Han, Patrick; Akagi, Kazuto; Federici Canova, Filippo; Mutoh, Hirotaka; Shiraki, Susumu; Iwaya, Katsuya; Weiss, Paul S; Asao, Naoki; Hitosugi, Taro

    2014-09-23

    We produce precise chiral-edge graphene nanoribbons on Cu{111} using self-assembly and surface-directed chemical reactions. We show that, using specific properties of the substrate, we can change the edge conformation of the nanoribbons, segregate their adsorption chiralities, and restrict their growth directions at low surface coverage. By elucidating the molecular-assembly mechanism, we demonstrate that our method constitutes an alternative bottom-up strategy toward synthesizing defect-free zigzag-edge graphene nanoribbons.

  2. First Principles Study on the Electronic Structure and Interface Stability of Hybrid Silicene/Fluorosilicene Nanoribbons

    National Research Council Canada - National Science Library

    Jiang, Q G; Zhang, J F; Ao, Z M; Wu, Y P

    2015-01-01

    The interface stability of hybrid silicene/fluorosilicene nanoribbons (SFNRs) has been investigated by using density functional theory calculations, where fluorosilicene is the fully fluorinated silicene...

  3. The synthesis of monoclinic bismuth vanadate nanoribbons and studies of photoconductive, photoresponse, and photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang Fengxia [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Beijing East Road 1, Wuhu 241000 (China); Shao Mingwang, E-mail: mwshao@mail.ahnu.edu.cn [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Beijing East Road 1, Wuhu 241000 (China); Cheng Liang; Hua Jun; Wei Xianwen [College of Chemistry and Materials Science, Anhui Key Laboratory of Functional Molecular Solids, Anhui Normal University, Beijing East Road 1, Wuhu 241000 (China)

    2009-08-05

    Large-scale, high-purity and uniform BiVO{sub 4} nanoribbons have been synthesized by a facile hydrothermal route without surfactants. The as-prepared BiVO{sub 4} nanoribbons were up to hundreds of micrometers in length, 60-80 nm in width, 15-20 nm in thickness, and grew along the [0 1 0] direction. The photoresponse property of BiVO{sub 4} nanoribbons was measured under different wavelengths. Their photoswitch behavior was also demonstrated. Furthermore, the nanoribbons showed superior photocatalytic activities in the degradation of eosin Y under visible light irradiation.

  4. Reprint of : Shot noise fluctuations in disordered graphene nanoribbons near the Dirac point

    Science.gov (United States)

    Gopar, Víctor A.

    2016-08-01

    Random fluctuations of the shot-noise power in disordered graphene nanoribbons are studied. In particular, we calculate the distribution of the shot noise of nanoribbons with zigzag and armchair edge terminations. We show that the shot noise statistics is different for each type of these two graphene structures, which is a consequence of the presence of different electron localizations: while in zigzag nanoribbons electronic edge states are Anderson localized, in armchair nanoribbons edge states are absent, but electrons are anomalously localized. Our analytical results are verified by tight binding numerical simulations with random hopping elements, i.e., off diagonal disorder, which preserves the symmetry of the graphene sublattices.

  5. Graphene nanoribbon superlattices fabricated via He ion lithography

    Energy Technology Data Exchange (ETDEWEB)

    Archanjo, Braulio S., E-mail: bsarchanjo@inmetro.gov.br [Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO), Duque de Caxias, RJ 25250-020 (Brazil); Fragneaud, Benjamin [Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO), Duque de Caxias, RJ 25250-020 (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-330 (Brazil); Gustavo Cançado, Luiz [Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO), Duque de Caxias, RJ 25250-020 (Brazil); Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG 30123-970 (Brazil); Winston, Donald [Hewlett-Packard Laboratories, 1501 Page Mill Road, Palo Alto, California 94304 (United States); Miao, Feng [Hewlett-Packard Laboratories, 1501 Page Mill Road, Palo Alto, California 94304 (United States); National Laboratory of Solid State Microstructures, School of Physics, National Center of Microstructures and Quantum Manipulation, Nanjing University, Nanjing 210093 (China); Alberto Achete, Carlos [Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Qualidade e Tecnologia (INMETRO), Duque de Caxias, RJ 25250-020 (Brazil); Departamento de Engenharia Metalúrgica e de Materiais, Universidade Federal do Rio de janeiro, Rio de Janeiro RJ 21941-972 (Brazil); Medeiros-Ribeiro, Gilberto [Departamento de Física, Universidade Federal de Minas Gerais, Belo Horizonte, MG 30123-970 (Brazil); Hewlett-Packard Laboratories, 1501 Page Mill Road, Palo Alto, California 94304 (United States)

    2014-05-12

    Single-step nano-lithography was performed on graphene sheets using a helium ion microscope. Parallel “defect” lines of ∼1 μm length and ≈5 nm width were written to form nanoribbon gratings down to 20 nm pitch. Polarized Raman spectroscopy shows that crystallographic orientation of the nanoribbons was partially maintained at their lateral edges, indicating a high-fidelity lithography process. Furthermore, Raman analysis of large exposure areas with different ion doses reveals that He ions produce point defects with radii ∼ 2× smaller than do Ga ions, demonstrating that scanning-He{sup +}-beam lithography can texture graphene with less damage.

  6. Phonon transport in single-layer Boron nanoribbons

    CERN Document Server

    Zhang, Zhongwei; Peng, Qing; Chen, Yuanping

    2016-01-01

    Inspired by the successful synthesis of several allotropes, boron sheets have been one of the hottest spot areas of focus in various fields. Here, we study phonon transport in three types of boron nanoribbons with zigzag and armchair edges by using a non-equilibrium Green's function combined with first principles methods. Diverse transport properties are found in the nanoribbons. At the room temperature, their highest thermal conductance can be comparable with that of graphene, while the lowest thermal conductance is less than half of graphene's. The three boron sheets exhibit different anisotropic transport characteristics. Two of these sheets have stronger phonon transport abilities along the zigzag edges than the armchair edges, while in the case of the third, the results are reversed. With the analysis of phonon dispersion, bonding charge density, and simplified models of atomic chains, the mechanisms of the diverse phonon properties are discussed. Because all boron allotropes consists of hexagonal and tr...

  7. Four-terminal impedance of a graphene nanoribbon based structure

    Science.gov (United States)

    Shi, Yi-Jian; Lan, Jin; Ye, En-Jia; Sui, Wen-Quan; Zhao, Xuean

    2014-10-01

    The four-terminal impedance is studied in a typical graphene nanoribbon based structure. When two additional voltage probes are attached, the results show that at the Dirac point, both the real and imaginary parts of the impedance are negative. As the Fermi energy deviates from the Dirac point, the real part of impedance oscillates with its sign changing frequently, while the imaginary part becomes vanishingly small. The phase incoherent processes introduced by the voltage probes contribute to inelastic scattering and charge redistribution in the central device region. As a result, the measured conductance is substantially different from the two-terminal measurement of a perfect graphene nanoribbon, indicating the important role of voltage probes in realistic four-terminal measurement.

  8. A wavelength demultiplexing structure based on graphene nanoribbon resonators

    Science.gov (United States)

    Zhuang, Huawei; Sheng, Shiwei; Kong, Fanmin; Li, Kang; Wang, Yuling

    2016-12-01

    A wavelength demultiplexing (WDM) structure based on graphene nanoribbon resonators is proposed and numerically investigated by the finite-difference time-domain (FDTD) method. The demultiplexing wavelength can be easily derived by adjusting the length of the resonator, which is accurately explained by the Fabry-Perot (F-P) resonant theory. Meanwhile, the transmission characteristics of the WDM structure are influenced by the coupling distance between the resonator and drop/bus waveguides, and the performance of the WDM device is analyzed at different nanoribbon width and chemical potential. In addition, in order to improve the transmission efficiency from the drop waveguide, a reflection structure is introduced at the end of the bus waveguide. The exact mechanism for the WDM structure is analyzed in detail using the temporal coupled-mode theory. The proposed structure will have potential applications in the field of ultra-compact WDM systems in highly integrated optical circuits.

  9. DNA origami-based nanoribbons: assembly, length distribution, and twist

    Energy Technology Data Exchange (ETDEWEB)

    Jungmann, Ralf; Scheible, Max; Kuzyk, Anton; Pardatscher, Guenther; Simmel, Friedrich C [Lehrstuhl fuer Bioelektronik, Physik-Department and ZNN/WSI, Technische Universitaet Muenchen, Am Coulombwall 4a, 85748 Garching (Germany); Castro, Carlos E, E-mail: simmel@ph.tum.de [Labor fuer Biomolekulare Nanotechnologie, Physik-Department and ZNN/WSI, Technische Universitaet Muenchen, Am Coulombwall 4a, 85748 Garching (Germany)

    2011-07-08

    A variety of polymerization methods for the assembly of elongated nanoribbons from rectangular DNA origami structures are investigated. The most efficient method utilizes single-stranded DNA oligonucleotides to bridge an intermolecular scaffold seam between origami monomers. This approach allows the fabrication of origami ribbons with lengths of several micrometers, which can be used for long-range ordered arrangement of proteins. It is quantitatively shown that the length distribution of origami ribbons obtained with this technique follows the theoretical prediction for a simple linear polymerization reaction. The design of flat single layer origami structures with constant crossover spacing inevitably results in local underwinding of the DNA helix, which leads to a global twist of the origami structures that also translates to the nanoribbons.

  10. Theory of coherent phonons in carbon nanotubes and graphene nanoribbons

    Science.gov (United States)

    Sanders, G. D.; Stanton, C. J.; Nugraha, A. R. T.; Saito, R.

    2013-03-01

    We have performed theoretical studies on generating and detecting coherent radial breathing mode (RBM) phonons in single-walled carbon nanotubes and coherent radial breathing like mode (RBLM) phonons in graphene nanoribbons. A microscopic theory incorporating electronic states, phonon modes, optical matrix elements, and electron-phonon interaction matrix elements allows us to calculate the coherent phonon spectrum. The coherent phonon amplitudes satisfy a driven oscillator equation with a driving term that depends on photoexcited carrier density. We study the coherent phonon spectrum for nanotubes of different chirality and for armchair and zigzag graphene nanoribbons. We compare our results with a simpler, effective mass theory where we find reasonable agreement with the main features of our computed coherent phonon spectrum. Supported by NSF through grants OISE-0968405 and DMR-1105437 and MEXT through grant No. 20241023

  11. Sub-5 nm, globally aligned graphene nanoribbons on Ge(001)

    Energy Technology Data Exchange (ETDEWEB)

    Kiraly, Brian [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439, USA; Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208, USA; Mannix, Andrew J. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439, USA; Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208, USA; Jacobberger, Robert M. [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA; Fisher, Brandon L. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439, USA; Arnold, Michael S. [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA; Hersam, Mark C. [Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208, USA; Department of Chemistry, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208, USA; Guisinger, Nathan P. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439, USA

    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 vacuum 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. The bandgap magnitude and electronic uniformity make these new materials excellent candidates for future developments in nanoelectronics.

  12. Substrate-Independent Growth of Atomically Precise Chiral Graphene Nanoribbons

    Science.gov (United States)

    2016-01-01

    Contributing to the need for new graphene nanoribbon (GNR) structures that can be synthesized with atomic precision, we have designed a reactant that renders chiral (3,1)-GNRs after a multistep reaction including Ullmann coupling and cyclodehydrogenation. The nanoribbon synthesis has been successfully proven on different coinage metals, and the formation process, together with the fingerprints associated with each reaction step, has been studied by combining scanning tunneling microscopy, core-level spectroscopy, and density functional calculations. In addition to the GNR’s chiral edge structure, the substantial GNR lengths achieved and the low processing temperature required to complete the reaction grant this reactant extremely interesting properties for potential applications. PMID:27548516

  13. Exploiting hydrogenation for thermal rectification in graphene nanoribbons

    Science.gov (United States)

    Melis, Claudio; Barbarino, Giuliana; Colombo, Luciano

    2015-12-01

    We present a molecular dynamics study providing evidence that it is possible to conceive efficient thermal diodes by a suitable hydrogen decoration of graphene nanoribbons. We estimate thermal rectifications at graphane/graphene interfaces with vertical, triangular, and T-shaped morphologies, and we report a significant thermal rectification up to ˜54 % for the triangular one. The dependence of the thermal rectification on the nanoribbon dimensions, vertex angle, and temperature gradient is also explored. The physical origin of the observed rectification is analyzed in terms of the different temperature dependence of the thermal conductivity in the pristine materials and the overlap of phonon densities in the different morphologies. Finally, we propose an effective continuum model to describe thermal rectification, which is only based on the steady state temperature profile rather than the actual heat flux. The model quantitatively predicts thermal rectification in very good agreement with the standard analysis based on the heat flux estimate.

  14. Bandgap oscillation in quasiperiodic carbon-BN nanoribbons

    Science.gov (United States)

    Pedreira, D. O.; Azevedo, S.; Bezerra, C. G.; Viol, A.; Viswanathan, G. M.; Ferreira, M. S.

    2014-02-01

    In this work we address the effects of quasiperiodic disorder on the physical properties of nanoribbons, composed by BN and C, constructed according to the Fibonacci quasiperiodic sequence. We assume BN and C as the building blocks of the resulting quasiperiodic structure. The density of states and energy band gap were obtained through ab-initio calculations based on the density functional theory. We report the effects of the quasiperiodic disorder on the oscillatory behavior of the specific heat, in the low temperature regime, and on the behavior of the energy band gap. In particular, we show that the electronic energy band gap oscillates as a function of the Fibonacci generation index n. Our results suggest that the choice of the building block materials of the quasiperiodic sequence, with appropriate band gap energies, may lead to a tuneable band gap of quasiperiodic nanoribbons.

  15. Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

    Directory of Open Access Journals (Sweden)

    Rasmus Bjerregaard Christensen

    2016-01-01

    Full Text Available We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling, which is mediated by nonconservative and pseudo-magnetic current-induced forces, change the atomic dynamics, and thereby show their signature in this simple system. We study the atomic dynamics and current-induced vibrational instabilities using a simplified eigen-mode analysis. Our study illustrates how armchair nanoribbons can serve as a possible testbed for probing the current-induced forces.

  16. Theory of coherent phonons in carbon nanotubes and graphene nanoribbons

    Science.gov (United States)

    Sanders, G. D.; Nugraha, A. R. T.; Sato, K.; Kim, J.-H.; Kono, J.; Saito, R.; Stanton, C. J.

    2013-04-01

    We survey our recent theoretical studies on the generation and detection of coherent radial breathing mode (RBM) phonons in single-walled carbon nanotubes and coherent radial breathing like mode (RBLM) phonons in graphene nanoribbons. We present a microscopic theory for the electronic states, phonon modes, optical matrix elements and electron-phonon interaction matrix elements that allows us to calculate the coherent phonon spectrum. An extended tight-binding (ETB) model has been used for the electronic structure and a valence force field (VFF) model has been used for the phonon modes. The coherent phonon amplitudes satisfy a driven oscillator equation with the driving term depending on the photoexcited carrier density. We discuss the dependence of the coherent phonon spectrum on the nanotube chirality and type, and also on the graphene nanoribbon mod number and class (armchair versus zigzag). We compare these results with a simpler effective mass theory where reasonable agreement with the main features of the coherent phonon spectrum is found. In particular, the effective mass theory helps us to understand the initial phase of the coherent phonon oscillations for a given nanotube chirality and type. We compare these results to two different experiments for nanotubes: (i) micelle suspended tubes and (ii) aligned nanotube films. In the case of graphene nanoribbons, there are no experimental observations to date. We also discuss, based on the evaluation of the electron-phonon interaction matrix elements, the initial phase of the coherent phonon amplitude and its dependence on the chirality and type. Finally, we discuss previously unpublished results for coherent phonon amplitudes in zigzag nanoribbons obtained using an effective mass theory.

  17. Stability of edge states and edge magnetism in graphene nanoribbons

    OpenAIRE

    Kunstmann, Jens; Özdoğan, Cem; Quandt, Alexander; Fehske, Holger

    2010-01-01

    We critically discuss the stability of edge states and edge magnetism in zigzag edge graphene nanoribbons (ZGNRs). We point out that magnetic edge states might not exist in real systems, and show that there are at least three very natural mechanisms - edge reconstruction, edge passivation, and edge closure - which dramatically reduce the effect of edge states in ZGNRs or even totally eliminate them. Even if systems with magnetic edge states could be made, the intrinsic magnetism would not be ...

  18. Correlating atomic structure and transport in suspended graphene nanoribbons.

    Science.gov (United States)

    Qi, Zhengqing John; Rodríguez-Manzo, Julio A; Botello-Méndez, Andrés R; Hong, Sung Ju; Stach, Eric A; Park, Yung Woo; Charlier, Jean-Christophe; Drndić, Marija; Johnson, A T Charlie

    2014-08-13

    Graphene nanoribbons (GNRs) are promising candidates for next generation integrated circuit (IC) components; this fact motivates exploration of the relationship between crystallographic structure and transport of graphene patterned at IC-relevant length scales (edges after current annealing, presenting a pathway for the controlled fabrication of semiconducting GNRs with known edge geometry. Finally, we report on simulations of quantum transport in GNRs that are in qualitative agreement with the observations.

  19. Dynamics of mechanical waves in periodic graphene nanoribbon assemblies

    Directory of Open Access Journals (Sweden)

    Chowdhury Rajib

    2011-01-01

    Full Text Available Abstract We simulate the natural frequencies and the acoustic wave propagation characteristics of graphene nanoribbons (GNRs of the type (8,0 and (0,8 using an equivalent atomistic-continuum FE model previously developed by some of the authors, where the C-C bonds thickness and average equilibrium lengths during the dynamic loading are identified through the minimisation of the system Hamiltonian. A molecular mechanics model based on the UFF potential is used to benchmark the hybrid FE models developed. The acoustic wave dispersion characteristics of the GNRs are simulated using a Floquet-based wave technique used to predict the pass-stop bands of periodic mechanical structures. We show that the thickness and equilibrium lengths do depend on the specific vibration and dispersion mode considered, and that they are in general different from the classical constant values used in open literature (0.34 nm for thickness and 0.142 nm for equilibrium length. We also show the dependence of the wave dispersion characteristics versus the aspect ratio and edge configurations of the nanoribbons, with widening band-gaps that depend on the chirality of the configurations. The thickness, average equilibrium length and edge type have to be taken into account when nanoribbons are used to design nano-oscillators and novel types of mass sensors based on periodic arrangements of nanostructures. PACS 62.23.Kn · 62.25.Fg · 62.25.Jk

  20. Aharonov–Bohm interference in topological insulator nanoribbons

    KAUST Repository

    Peng, Hailin

    2009-12-13

    Topological insulators represent unusual phases of quantum matter with an insulating bulk gap and gapless edges or surface states. The two-dimensional topological insulator phase was predicted in HgTe quantum wells and confirmed by transport measurements. Recently, Bi2 Se3 and related materials have been proposed as three-dimensional topological insulators with a single Dirac cone on the surface, protected by time-reversal symmetry. The topological surface states have been observed by angle-resolved photoemission spectroscopy experiments. However, few transport measurements in this context have been reported, presumably owing to the predominance of bulk carriers from crystal defects or thermal excitations. Here we show unambiguous transport evidence of topological surface states through periodic quantum interference effects in layered single-crystalline Bi2 Se3 nanoribbons, which have larger surface-to-volume ratios than bulk materials and can therefore manifest surface effects. Pronounced Aharonov-Bohm oscillations in the magnetoresistance clearly demonstrate the coherent propagation of two-dimensional electrons around the perimeter of the nanoribbon surface, as expected from the topological nature of the surface states. The dominance of the primary h/e oscillation, where h is Plancks constant and e is the electron charge, and its temperature dependence demonstrate the robustness of these states. Our results suggest that topological insulator nanoribbons afford promising materials for future spintronic devices at room temperature.

  1. Synthesis and magnetic properties of manganite multiple heterostructure nanoribbons.

    Science.gov (United States)

    Yu, Jiangying; Huang, Kai; Wu, Heyun; Li, Ping

    2012-09-14

    The fabrication and applications of two-dimensional complex oxide heterostructures have gained great attention. However, the achievement of these materials in one-dimensional form with multiple interfaces is still elusive. Here, we report the growth of manganite CaMn(3)O(6)/CaMn(2)O(4) heterostructure nanoribbons via the use of CaMnO(3) powders as the precursor for the molten-salt process. In contrast with the antiferromagnetism in CaMn(3)O(6) and CaMn(2)O(4) in the bulk, magnetization measurements indicate the coexistence of a ferromagnetic phase with a spin-glass-like component in CaMn(3)O(6)/CaMn(2)O(4) heterostructure nanoribbons. An asymmetric magnetization hysteresis loop observed in the applied magnetic field H≤ 3 T is attributed to the coupling between the antiferromagnetic phase and the ferromagnetic or spin-glass-like phase in CaMn(3)O(6)/CaMn(2)O(4) heterostructure nanoribbons.

  2. Study of magnetic properties of graphene nanostructures and graphene nanoribbons

    Directory of Open Access Journals (Sweden)

    F Fazileh

    2012-03-01

    Full Text Available The discovery of graphene and its remarkable electronic and magnetic properties has initiated great research interest in this material. Furthermore, there are many derivatives in these graphene related materials among which graphene nanoribbons and graphene nanofragments are candidates for future carbon-based nanoelectronics and spintronics. Theoretical studies have shown that magnetism can arise in various situations such as point defects, disorder and reduced dimensionality. Using a mean field Hubbard model, we studied the appearance of magnetic textures in zero-dimensional graphene nanofragments and one-dimensional graphene zigzag nanoribbons. Among nanofragments, triangular shape, bowtie and coronene were studied. We explain how the shape of these materials, the imbalance in the number of atoms belonging to the graphene sublattices, the existence of zero-energy states and the total and local magnetic moments were related. At the end, we focused on the effects of a model disorder potential (Anderson-type, and illustrate how density of states of zigzag nanoribbons was affected.

  3. Resonance induced spin-selective transport behavior in carbon nanoribbon/nanotube/nanoribbon heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xiang-Hua [School of Physics and Microelectronics Science, Hunan University, Changsha 410082 (China); Department of Electrical and Information Engineering, Hunan Institute of Engineering, Xiangtan 411101 (China); Wang, Ling-Ling, E-mail: llwang@hnu.edu.cn [School of Physics and Microelectronics Science, Hunan University, Changsha 410082 (China); Li, Xiao-Fei, E-mail: xf.li@uestc.edu.cn [School of Physics and Microelectronics Science, Hunan University, Changsha 410082 (China); School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu, Sichuan 610054 (China); Chen, Tong; Li, Quan [School of Physics and Microelectronics Science, Hunan University, Changsha 410082 (China)

    2015-09-04

    Carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) are attractive in spintronics. Here, we propose GNR/CNT/GNR heterojunctions constructed by attaching zigzag-GNRs at the side-wall of CNT for spintronic devices. The thermal stability and electronic transport properties were explored using ab initio molecular dynamics simulations and nonequilibrium Green's function methods, respectively. Results demonstrate that the sp{sup 3}-hybridized contacts formed at the interface assure a good thermal stability of the system and make the CNT to be regarded as resonator. Only the electron of one spin-orientation and resonant energy is allowed to transport, resulting in the remarkable spin-selective transport behavior at the ferromagnetic state. - Highlights: • The new mechanism for spin-selective transport in molecular junction is proposed. • The two sp{sup 3} contacts formed between CNT and GNR can be regarded as electronic isolators. • The two isolators make the CNT act as a resonator. • Only the electron of one spin-orientation and resonant energy can form standing wave and transport through the whole junction.

  4. Electrospun Flexible Coaxial Nanoribbons Endowed With Tuned and Simultaneous Fluorescent Color-Electricity-Magnetism Trifunctionality.

    Science.gov (United States)

    Shao, Hong; Ma, Qianli; Dong, Xiangting; Yu, Wensheng; Yang, Ming; Yang, Ying; Wang, Jinxian; Liu, Guixia

    2015-09-16

    In order to develop new-typed multifunctional nanocomposites, fluorescent-electrical-magnetic trifunctional coaxial nanoribbons with tunable fluorescent color, including white-light emission, have been successfully fabricated via coaxial electrospinning technology. Each stripe of coaxial nanoribbon is composed of a Fe3O4/PMMA core and a [Eu(BA)3phen+Dy(BA)3phen]/PANI/PMMA (PMMA = polymethyl methacrylate, BA = benzoic acid, phen = phenanthroline, polyaniline = PANI) shell. X-ray diffractometry (XRD), field emission scanning electron microscopy (FE-SEM), biological microscopy (BM), vibrating sample magnetometry (VSM), energy dispersive spectrometry (EDS), Hall effect measurement system and photoluminescence (PL) spectroscopy were employed to characterize the coaxial nanoribbons. Emitting color of the coaxial nanoribbons can be tuned by adjusting the contents of Dy(BA)3phen, Eu(BA)3phen, PANI and Fe3O4 in a wide color range of blue-white-orange under the excitation of 273-nm single-wavelength ultraviolet light. The coaxial nanoribbons simultaneously possess excellent luminescent performance, electrical conduction and magnetism compared with the counterpart composite nanoribbons. Furthermore, the electrical and magnetic performances of the coaxial nanoribbons also can be tunable by adding different quantities of PANI and Fe3O4 nanoparticles, respectively. The obtained coaxial nanoribbons have promising applications in many areas, such as electromagnetic interference shielding, microwave absorption, molecular electronics, biomedicine, future nanomechanics and display fields.

  5. Facile synthesis of gold nanoribbons by L-cysteine at room temperature

    Institute of Scientific and Technical Information of China (English)

    HUANG Lan; ZHANG Yu; GUO ZhiRui; GU Ning

    2009-01-01

    Highly crystalline gold nanoribbons have been synthesized via a simple method by L-cysteine reduc-tion of aqueous chloroaurate ions at room temperature, without additional capping agent or surfactant. Based on transmission electron microscopy (TEM) and UV-vis absorption studies for the intermediate products, the formation of gold nanoribbons is regarded as a kind of oriented attachment growth.

  6. Towards the assembly of structurally precise graphene nanoribbons for electronic applications

    Science.gov (United States)

    Gao, Jia; Uribe-Romo, Fernando J.; Arslan, Hasan; Crick, Colin; Saathoff, Jonathan D.; Clancy, Paulette; Dichtel, William R.; Loo, Yueh-Lin

    2014-03-01

    Graphene's lack of band gap has been a bottleneck that limits its use in transistors. One promising approach to open up a gap in its band structure is to narrow the width of graphene, i.e., make ``nanoribbons.'' Bottom-up synthesis is a most promising method to produce structurally precise nanoribbons. But the assembly and patterning of these nanoribbons remains a challenge. In this study, we demonstrate a method for the assembly of structurally precise graphene nanoribbons. We observe preferential adsorption of nanoribbons on gold surfaces as opposed to silicon dioxide surfaces with aerosol-assisted chemical vapor deposition. Importantly, we can tune the coverage of graphene nanoribbons through appropriate surface treatments. Graphene nanoribbon adsorption on a gold surface that had been modified with pentafluorobenzenethiol, for example, is higher than that on ozone-cleaned gold, as evidenced by higher D and G band intensities in its Raman spectra. The ability to tune the surface coverage through surface treatment provides a unique opportunity to assemble and pattern graphene nanoribbons for electronic applications.

  7. Side-gate modulation effects on high-quality BN-Graphene-BN nanoribbon capacitors

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yang; Chen, Xiaolong; Ye, Weiguang; Wu, Zefei; Han, Yu; Han, Tianyi; He, Yuheng; Cai, Yuan; Wang, Ning, E-mail: phwang@ust.hk [Department of Physics and the William Mong Institute of Nano Science and Technology, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong (China)

    2014-12-15

    High-quality BN-Graphene-BN nanoribbon capacitors with double side-gates of graphene have been experimentally realized. The double side-gates can effectively modulate the electronic properties of graphene nanoribbon capacitors. By applying anti-symmetric side-gate voltages, we observed significant upward shifting and flattening of the V-shaped capacitance curve near the charge neutrality point. Symmetric side-gate voltages, however, only resulted in tilted upward shifting along the opposite direction of applied gate voltages. These modulation effects followed the behavior of graphene nanoribbons predicted theoretically for metallic side-gate modulation. The negative quantum capacitance phenomenon predicted by numerical simulations for graphene nanoribbons modulated by graphene side-gates was not observed, possibly due to the weakened interactions between the graphene nanoribbon and side-gate electrodes caused by the Ga{sup +} beam etching process.

  8. Wafer-scale fabrication and growth dynamics of suspended graphene nanoribbon arrays.

    Science.gov (United States)

    Suzuki, Hiroo; Kaneko, Toshiro; Shibuta, Yasushi; Ohno, Munekazu; Maekawa, Yuki; Kato, Toshiaki

    2016-06-02

    Adding a mechanical degree of freedom to the electrical and optical properties of atomically thin materials can provide an excellent platform to investigate various optoelectrical physics and devices with mechanical motion interaction. The large scale fabrication of such atomically thin materials with suspended structures remains a challenge. Here we demonstrate the wafer-scale bottom-up synthesis of suspended graphene nanoribbon arrays (over 1,000,000 graphene nanoribbons in 2 × 2 cm(2) substrate) with a very high yield (over 98%). Polarized Raman measurements reveal graphene nanoribbons in the array can have relatively uniform-edge structures with near zigzag orientation dominant. A promising growth model of suspended graphene nanoribbons is also established through a comprehensive study that combined experiments, molecular dynamics simulations and theoretical calculations with a phase-diagram analysis. We believe that our results can contribute to pushing the study of graphene nanoribbons into a new stage related to the optoelectrical physics and industrial applications.

  9. Atomic structure of epitaxial graphene sidewall nanoribbons: flat graphene, miniribbons, and the confinement gap.

    Science.gov (United States)

    Palacio, Irene; Celis, Arlensiú; Nair, Maya N; Gloter, Alexandre; Zobelli, Alberto; Sicot, Muriel; Malterre, Daniel; Nevius, Meredith S; de Heer, Walt A; Berger, Claire; Conrad, Edward H; Taleb-Ibrahimi, Amina; Tejeda, Antonio

    2015-01-14

    Graphene nanoribbons grown on sidewall facets of SiC have demonstrated exceptional quantized ballistic transport up to 15 μm at room temperature. Angular-resolved photoemission spectroscopy (ARPES) has shown that the ribbons have the band structure of charge neutral graphene, while bent regions of the ribbon develop a bandgap. We present scanning tunneling microscopy and transmission electron microscopy of armchair nanoribbons grown on recrystallized sidewall trenches etched in SiC. We show that the nanoribbons consist of a single graphene layer essentially decoupled from the facet surface. The nanoribbons are bordered by 1-2 nm wide bent miniribbons at both the top and bottom edges of the nanoribbons. We establish that nanoscale confinement in the graphene miniribbons is the origin of the local large band gap observed in ARPES. The structural results presented here show how this gap is formed and provide a framework to help understand ballistic transport in sidewall graphene.

  10. Wafer-scale fabrication and growth dynamics of suspended graphene nanoribbon arrays

    Science.gov (United States)

    Suzuki, Hiroo; Kaneko, Toshiro; Shibuta, Yasushi; Ohno, Munekazu; Maekawa, Yuki; Kato, Toshiaki

    2016-06-01

    Adding a mechanical degree of freedom to the electrical and optical properties of atomically thin materials can provide an excellent platform to investigate various optoelectrical physics and devices with mechanical motion interaction. The large scale fabrication of such atomically thin materials with suspended structures remains a challenge. Here we demonstrate the wafer-scale bottom-up synthesis of suspended graphene nanoribbon arrays (over 1,000,000 graphene nanoribbons in 2 × 2 cm2 substrate) with a very high yield (over 98%). Polarized Raman measurements reveal graphene nanoribbons in the array can have relatively uniform-edge structures with near zigzag orientation dominant. A promising growth model of suspended graphene nanoribbons is also established through a comprehensive study that combined experiments, molecular dynamics simulations and theoretical calculations with a phase-diagram analysis. We believe that our results can contribute to pushing the study of graphene nanoribbons into a new stage related to the optoelectrical physics and industrial applications.

  11. Excellent Thermoelectric Properties in monolayer WSe2 Nanoribbons due to Ultralow Phonon Thermal Conductivity

    Science.gov (United States)

    Wang, Jue; Xie, Fang; Cao, Xuan-Hao; An, Si-Cong; Zhou, Wu-Xing; Tang, Li-Ming; Chen, Ke-Qiu

    2017-01-01

    By using first-principles calculations combined with the nonequilibrium Green’s function method and phonon Boltzmann transport equation, we systematically investigate the influence of chirality, temperature and size on the thermoelectric properties of monolayer WSe2 nanoribbons. The results show that the armchair WSe2 nanoribbons have much higher ZT values than zigzag WSe2 nanoribbons. The ZT values of armchair WSe2 nanoribbons can reach 1.4 at room temperature, which is about seven times greater than that of zigzag WSe2 nanoribbons. We also find that the ZT values of WSe2 nanoribbons increase first and then decrease with the increase of temperature, and reach a maximum value of 2.14 at temperature of 500 K. It is because the total thermal conductance reaches the minimum value at 500 K. Moreover, the impact of width on the thermoelectric properties in WSe2 nanoribbons is not obvious, the overall trend of ZT value decreases lightly with the increasing temperature. This trend of ZT value originates from the almost constant power factor and growing phonon thermal conductance. PMID:28120912

  12. Excellent Thermoelectric Properties in monolayer WSe2 Nanoribbons due to Ultralow Phonon Thermal Conductivity

    Science.gov (United States)

    Wang, Jue; Xie, Fang; Cao, Xuan-Hao; An, Si-Cong; Zhou, Wu-Xing; Tang, Li-Ming; Chen, Ke-Qiu

    2017-01-01

    By using first-principles calculations combined with the nonequilibrium Green’s function method and phonon Boltzmann transport equation, we systematically investigate the influence of chirality, temperature and size on the thermoelectric properties of monolayer WSe2 nanoribbons. The results show that the armchair WSe2 nanoribbons have much higher ZT values than zigzag WSe2 nanoribbons. The ZT values of armchair WSe2 nanoribbons can reach 1.4 at room temperature, which is about seven times greater than that of zigzag WSe2 nanoribbons. We also find that the ZT values of WSe2 nanoribbons increase first and then decrease with the increase of temperature, and reach a maximum value of 2.14 at temperature of 500 K. It is because the total thermal conductance reaches the minimum value at 500 K. Moreover, the impact of width on the thermoelectric properties in WSe2 nanoribbons is not obvious, the overall trend of ZT value decreases lightly with the increasing temperature. This trend of ZT value originates from the almost constant power factor and growing phonon thermal conductance.

  13. Structural, electronic and magnetic properties of chevron-type graphene, BN and BC2N nanoribbons

    Science.gov (United States)

    Guerra, T.; Azevedo, S.; Kaschny, J. R.

    2017-04-01

    Graphene nanoribbons are predicted to be essential components in future nanoelectronics. The size, edge type, arrangement of atoms and width of nanoribbons drastically change their properties. Boronnitrogencarbon nanoribbons properties are not fully understood so far. In the present contribution it was investigated the structural, electronic and magnetic properties of chevron-type carbon, boron nitride and BC2N nanoribbons, using first-principles calculations. The results indicate that the structural stability is closely related to the discrepancies in the bond lengths, which can induce structural deformations and stress. Such nanoribbons present a wide range of electronic behaviors, depending on their composition and particularities of the atomic arrangement. A net magnetic moment is found for structures that present carbon atoms at the nanoribbon borders. Nevertheless, the calculated magnetic moment depends on the peculiarities of the symmetric arrangement of atoms and imbalance of carbon atoms between different sublattices. It was found that all structures which have a significant energy gap do not present magnetic moment, and vice-versa. Such result indicates the strong correlation between the electronic and magnetic properties of the chevron-type nanoribbons.

  14. Conjoined structures of carbon nanotubes and graphene nanoribbons

    Science.gov (United States)

    Krasnenko, V.; Boltrushko, V.; Klopov, M.; Hizhnyakov, V.

    2014-04-01

    Hybrid materials built from conjoined structures of graphene nanoribbons (GNRs) and carbon nanotubes (CNTs) have important properties for novel applications. In this communication we have performed a numerical study of these structures and have found two types: (i) CNT and GNR structures formed by van der Waals forces with a distance close to 0.35 nm and (ii) CNT and GNR structures interconnected by short (0.17 nm) and strong chemical bonds. It appears that the latter bonds essentially perturb conjoined carbon C6 rings. The reason for the perturbation is the pseudo-Jahn-Teller effect.

  15. Energy barrier for configurational transformation of graphene nanoribbon on nanotube

    Directory of Open Access Journals (Sweden)

    Qifang Yin

    2014-01-01

    Full Text Available A graphene nanoribbon (GNR has two basic configurations when winding on the outer surface of a carbon nanotube (CNT: helix and scroll. Here the transformation between the two configurations is studied utilizing molecular dynamics simulations. The energy barrier during the transformation as well as its relationship with the interfacial energy and the radius of CNT are investigated. Our work offers further insights into the formation of desirable helix/scroll of GNR winding on nanotubes or nanowires, and thus can enable novel design of potential graphene-based electronics.

  16. Electric field effects on electronic characteristics of arsenene nanoribbons

    Science.gov (United States)

    Luo, Yanwei; Li, Yuxiao; Wang, Fei; Guo, Peng; Jia, Yu

    2017-10-01

    By using the first-principles calculations, we investigate the effects of electric field on electronic structures of armchair and zigzag arsenene nanoribbons (AsNRs) with different widths. The results show that for each case, quantum size effects induce a smaller band gap in larger AsNRs. Moreover, electric field can reduce effectively the band gap of AsNRs. In addition, the electric field can induce only the transition of band structures in the A-AsNRs or Z-AsNRs with narrow size. The band gap decrease more rapidly and the threshold electric field induced metal becomes smaller in the wider AsNRs.

  17. Graphene nanoribbons synthesized from molecular precursor polymerization on Au(110)

    Energy Technology Data Exchange (ETDEWEB)

    Massimi, Lorenzo; Ourdjini, Oualid; Della Pia, Ada; Mariani, Carlo; Betti, Maria Grazia [Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale Aldo Moro 2, I - 00185 Roma (Italy); Cavaliere, Emanuele; Gavioli, Luca [i-LAMP & Dipartimento di Matematica e Fisica, Università Cattolica, 25121 Brescia (Italy)

    2015-06-23

    A spectroscopic study of 10,10-dibromo-9,9 bianthracene (DBBA) molecules deposited on the Au(110) surface is presented, by means of ultraviolet and X-ray photoemission, and X-ray absorption spectroscopy. Through a thermally activated procedure, these molecular precursors polymerize and eventually form graphene nanoribbons (GNRs) with atomically controlled shape and width, very important building blocks for several technological applications. The GNRs observed by scanning tunneling microscopy (STM) appear as short segments on top of the gold surface reconstruction, pointing out the delicate balance among surface diffusion and surface corrugation in their synthesis on the Au(110) surface.

  18. Enhancing the thermoelectric figure of merit in engineered graphene nanoribbons

    Directory of Open Access Journals (Sweden)

    Hatef Sadeghi

    2015-05-01

    Full Text Available We demonstrate that thermoelectric properties of graphene nanoribbons can be dramatically improved by introducing nanopores. In monolayer graphene, this increases the electronic thermoelectric figure of merit ZTe from 0.01 to 0.5. The largest values of ZTe are found when a nanopore is introduced into bilayer graphene, such that the current flows from one layer to the other via the inner surface of the pore, for which values as high as ZTe = 2.45 are obtained. All thermoelectric properties can be further enhanced by tuning the Fermi energy of the leads.

  19. Strain modulated band gap of edge passivated armchair graphene nanoribbons

    CERN Document Server

    Peng, Xihong

    2011-01-01

    First principles calculations were performed to study strain effects on band gap of armchair graphene nanoribbons (AGNRs)with different edge passivation, including H, O, and OH group. The band gap of the H-passivated AGNRs shows a nearly periodic zigzag variation under strain. For O and OH passivation, the zigzag patterns are significantly shifted by a modified quantum confinement due to the edges. In addition, the band gap of the O-passivated AGNRs experiences a direct-to-indirect transition with sufficient tensile strain (~5%). The indirect gap reduces to zero with further increased strain.

  20. Transport properties in periodically modulated zigzag silicene nanoribbon

    Science.gov (United States)

    Wang, Xiao-Shuang; Shen, Man; An, Xing-Tao; Liu, Jian-Jun

    2016-04-01

    We study theoretically the electronic transport properties of zigzag silicene nanoribbon superlattices subject to a periodic electric field perpendicular to the surface of silicene. Our results show that the conductivity of the system depends on the superlattice structural parameters and show effects analogous to those found with two-dimensional semiconductor superlattices. For a superlattice with Nb barriers, a series of resonant peaks, each of which is split into (Nb - 1) subpeaks, and transmission blockade regions appear in the conductance spectrum, which indicates the formation of minibands and minigaps. These silicene-based quantum structures can provide concepts for the design nanodevices.

  1. Raman spectroscopy investigations of chemically derived zigzag edge graphene nanoribbons

    Directory of Open Access Journals (Sweden)

    R. Nishinakagawa

    2013-09-01

    Full Text Available We fabricated graphene nanoribbons (GNRs chemically derived from expandable graphite. All GNRs exhibit atomically smooth edges that extended over their entire length. We investigated four of the fabricated GNRs using Raman spectroscopy. Two of the investigated GNRs show Raman spectra with a missing D-band peak, while D-band peaks can be clearly observed for the other two GNRs. The two GNRs which do not show the D-band peak are GNRs with zigzag edges, and the two other GNRs which show clearly the D-band peaks are possibly GNRs with armchair edges.

  2. Ab Initio Investigations of Thermoelectric Effects in Graphene – Boron Nitride Nanoribbons

    Directory of Open Access Journals (Sweden)

    Visan Camelia

    2016-01-01

    Full Text Available Thermoelectric effects of graphene – hexagonal boron nitride (hBN nanoribbons have been investigated by density functional theory (DFT calculations. Pristine zig-zag nanoribbons are not suited to achieve high thermopower as the transmission function is flat around the chemical potential. By introducing hBN inclusions, the nanoribbon systems exhibit enhanced thermopower, due to the asymmetries introduced in the spin dependent transmission functions. Finite temperature differences between the two contacts are considered. The possibility of a good integration of hBN into graphene, makes the hybrid systems suitable for thermoelectric applications, which may be subject to further optimizations.

  3. Edge effect on magnetic phases of doped zigzag graphone nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Drissi, L.B. [LPHE, Modeling and Simulations, Faculty of Science, Mohammed V University, Rabat (Morocco); International Center for Theoretical Physics, ICTP, Trieste (Italy); Zriouel, S.; Saidi, E.H. [LPHE, Modeling and Simulations, Faculty of Science, Mohammed V University, Rabat (Morocco)

    2015-01-15

    Curie temperature T{sub C} has important implications for the experimental realization of magnetic graphone nanostructures relevant for future spintronic applications. Using both Monte Carlo method and mean field theory, we study magnetic properties of zigzag graphone nanoribons (ZGONR) doped with magnetic impurities M. We show that T{sub C} increases with the number of dopants but for configurations with fixed number M, T{sub C} is not very sensitive to impurities distances d(M−M). In particular, in bidoped ZGONR configurations, T{sub C} has different values for the same d(M−M). This surprising behavior stems from edge effect. The result as derived in this report is easily adapted to predict how the magnetism is influenced in all half hydrogenated four-electrons hexagonal nanoribbon devices. - Highlights: • We investigate the possibility of controlling the magnetism in zigzag graphone nanoribbons. • We study different configurations of Mono-, bi- and tri-doped ZGONR by TM impurities. • We show that Curie temperature is more sensitive to edges than impurities distances. • We provide a qualitative way of determining which maximal and minimal TC for wide ZGONRs.

  4. Modeling of the photodetector based on the multilayer graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Haiyue [Department of Instrumentation Science and Opto-electronics Engineering, Beijing University of Aeronautics and Astronautics, Beijing, 100191 (China); Key Laboratory of Micro-nano Measurement-Manipulation and Physics Ministry of Education, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China); Niu, Yanxiong, E-mail: niuyx@buaa.edu.cn [Department of Instrumentation Science and Opto-electronics Engineering, Beijing University of Aeronautics and Astronautics, Beijing, 100191 (China); Key Laboratory of Micro-nano Measurement-Manipulation and Physics Ministry of Education, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China); Precision Opto-mechatronics Technology Key Laboratory of Education Ministry, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China); Yin, Yiheng [Department of Instrumentation Science and Opto-electronics Engineering, Beijing University of Aeronautics and Astronautics, Beijing, 100191 (China); Liu, Shuai [Department of Instrumentation Science and Opto-electronics Engineering, Beijing University of Aeronautics and Astronautics, Beijing, 100191 (China); Precision Opto-mechatronics Technology Key Laboratory of Education Ministry, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China)

    2016-07-15

    Graphene nanoribbon (GNR), which has unique properties and advantages, is a crucial component of nanoelectornic devices, especially in the development of photoelectric detectors. In this work, an infrared photodetector based on the structure of stacked multiple-GNRs, which is separated by a little thick barrier layers (made of tungsten disulfide or related materials) to prevent tunneling current, is proposed and modeled. Operation of photoelectric detector is related to the electron cascaded radiative transition in the adjacent GNRs strengthened by the electrons heated due to the incident light. With a developed model, the working principle is analyzed and the relationships for the photocurrent and dark current as functions of the intensity of the incident radiation are derived. The spectral dependence of the responsivity and detectivity for graphene nanoribbons photodetector (GNRs-PT) with different Fermi energy, band gaps and numbers of GNRs layers are analyzed as well. The results demonstrate that the spectral characteristics depend on the GNRs band gap, which shows a potential on GNRs-PT application in the multi-wavelength systems. In addition, GNRs-PT has a better spectrum property and higher responsivity compared to photodetectors based on In{sub x}Ga{sub x}As in room temperature.

  5. Preparation, characterization, and electrochemical properties of lithium vanadium oxide nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Zhuo Shujuan [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou, Jiangsu 215123 (China); Anhui Key Laboratory of Functional Molecular Solids, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000 (China); Shao Mingwang, E-mail: mwshao@suda.edu.cn [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou, Jiangsu 215123 (China); Zhou Qing; Liao Fan [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou, Jiangsu 215123 (China)

    2011-07-15

    Graphical abstract: Display Omitted Highlights: > The lithium ions can easily move between the layers of lithium vanadium oxide. > It can highly increase the electron transfer between the electrode and dopamine. > The reversibility of electrochemical process was significantly improved. - Abstract: Highly uniform lithium vanadium oxide nanoribbons were successfully prepared in large quantities using a facile hydrothermal approach without employing any surfactants or templates. The as-prepared products were up to hundreds of micrometers in length, about 200 nm in width, and 20 nm in thickness. These nanoribbons and nafion composite were employed to modify glassy carbon electrode, which displayed excellent electrochemical sensitivity and rapid response in detecting dopamine in phosphate buffer solution. Lithium ions can greatly increase the electron transfer between the electrode and biological materials, and significantly increase the reversibility of electrochemical process. A linear relationship between the concentrations of dopamine and its oxidation peak currents was obtained. The linear range for the detection of dopamine was 2.0 x 10{sup -6} to 1.0 x 10{sup -4} M with a detection limit of 1.0 x 10{sup -7} M. In addition, the good reproducibility and long-term stability of the sensor make it valuable for further application.

  6. Spectral properties of Fibonacci superlattices formed using armchair graphene nanoribbons

    Science.gov (United States)

    Korol, A. M.; Litvynchuk, S. I.; Bagliuk, S. V.; Lazarenko, M. V.

    2016-03-01

    We discuss and analyze the dependence spectra of the transmission coefficient T on the quasiparticle energy E of one variety of graphene-based Fibonacci superlattices (SL). The SL is built from armchair graphene nanoribbons (GNR), and the quasi-periodicity is produced by metal-like (MGNR) and semiconductor (SCGNR) ribbons, placed along the lattice growth axis in accordance with the Fibonacci sequence, which are used as individual SL elements. It is shown that the difference in the values of quantized transverse quasi-momentum of electrons in MGNR and SCGNR is enough to form an effective quasi-periodic modulation in the examined structure (no additional factors required), and the optimal nanoribbon width range for this purpose is determined. We also analyzed the dependence of the spectral properties of the test structure on the geometric parameters of the superlattice, and the external electrostatic potential. We paid particular attention to the fact that each Fibonacci generation had a Dirac superlattice band gap. The results of the study can be useful in the determination of optimal parameters for graphene-based nanoelectronic devices.

  7. Highly conductive self-assembled nanoribbons of coordination polymers.

    Science.gov (United States)

    Welte, Lorena; Calzolari, Arrigo; Di Felice, Rosa; Zamora, Felix; Gómez-Herrero, Julio

    2010-02-01

    Organic molecules can self-assemble into well-ordered structures, but the conductance of these structures is limited, which is a disadvantage for applications in molecular electronics. Conductivity can be improved by using coordination polymers-in which metal centres are incorporated into a molecular backbone-and such structures have been used as molecular wires by self-assembling them into ordered films on metal surfaces. Here, we report electrically conductive nanoribbons of the coordination polymer [Pt(2)I(S(2)CCH(3))(4)](n) self-assembled on an insulating substrate by direct sublimation of polymer crystals. Conductance atomic force microscopy is used to probe the electrical characteristics of a few polymer chains ( approximately 10) within the nanoribbons. The observed currents exceed those previously sustained in organic and metal-organic molecules assembled on surfaces by several orders of magnitude and over much longer distances. These results, and the results of theoretical calculations based on density functional theory, confirm coordination polymers as candidate materials for applications in molecular electronics.

  8. Electronic and magnetic properties of pristine and hydrogenated borophene nanoribbons

    Science.gov (United States)

    Meng, Fanchen; Chen, Xiangnan; Sun, Songsong; He, Jian

    2017-07-01

    The groundbreaking works in graphene and graphene nanoribbons (GNRs) over the past decade, and the very recent discovery of borophene naturally draw attention to the yet-to-be-explored borophene nanoribbons (BNRs). We herein report a density functional theory (DFT) study of the electronic and magnetic properties of BNRs. The foci are the impact of orientation (denoted as BxNRs and ByNRs with their respective periodic orientations along x- and y-axis), ribbon width (Nx, Ny=4-15), and hydrogenation effects on the geometric, electronic and magnetic properties of BNRs. We found that the anisotropic quasi-planar geometric structure of BNR and the edge states largely govern its electronic and magnetic properties. In particular, pristine ByNRs adopt a magnetic ground state, either anti-ferromagnetic (AFM) or ferromagnetic (FM) depending on the ribbon width, while pristine BxNRs are non-magnetic (NM). Upon hydrogenation, all BNRs exhibit NM. Interestingly, both pristine and hydrogenated ByNRs undergo a metal-semiconductor-metal transition at Ny=7, while all BxNRs remain metallic.

  9. Synthesis, characterization and photoluminescence of tin oxide nanoribbons and nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Duraia, El-Shazly M.A., E-mail: duraia_physics@yahoo.co [Suez Canal University, Faculty of Science, Physics Department, Ismailia (Egypt); Al-Farabi Kazakh National University, Almaty (Kazakhstan); Institute of Physics and Technology, 11 Ibragimov Street, 050032 Almaty (Kazakhstan); Mansorov, Z.A. [Al-Farabi Kazakh National University, Almaty (Kazakhstan); Tokmolden, S. [Institute of Physics and Technology, 11 Ibragimov Street, 050032 Almaty (Kazakhstan)

    2009-11-15

    In this work we report the successful formation of tin oxide nanowires and tin oxide nanoribbons with high yield and by using simple cheap method. We also report the formation of curved nanoribbon, wedge-like tin oxide nanowires and star-like nanowires. The growth mechanism of these structures has been studied. Scanning electron microscope was used in the analysis and the EDX analysis showed that our samples is purely Sn and O with ratio 1:2. X-ray analysis was also used in the characterization of the tin oxide nanowire and showed the high crystallinity of our nanowires. The mechanism of the growth of our1D nanostructures is closely related to the vapor-liquid-solid (VLS) process. The photoluminescence PL measurements for the tin oxide nanowires indicated that there are three stable emission peaks centered at wavelengths 630, 565 and 395 nm. The nature of the transition may be attributed to nanocrystals inside the nanobelts or to Sn or O vacancies occurring during the growth which can induce trapped states in the band gap.

  10. Geometrical tuning of thermal phonon spectrum in nanoribbons

    Science.gov (United States)

    Ramiere, Aymeric; Volz, Sebastian; Amrit, Jay

    2016-03-01

    Phonon spectral energy transmission in silicon nanoribbons is investigated using Monte-Carlo simulations in the boundary scattering regime by changing the length and width geometrical parameters. We show that the transition frequency from specular scattering to diffuse scattering is inversely proportional to the edge roughness σ with a geometry independent factor of proportionality. The increase of the length over width ratio \\zeta leads to a decrease of the energy transmission in the diffuse scattering regime which evolves as {{≤ft(1+{{\\zeta}0.59}\\right)}-1} . This trend is explained by developing a model of phonon energy transmission in the fully diffuse scattering regime which takes into account the probability for a diffusively scattered phonon to be directly transmitted from any position on the edge of the nanoribbon. This model establishes the importance of the solid angles in the energy transmission evolution with \\zeta . The transition from unity energy transmission in the specular scattering regime to reduced transmission in the diffuse scattering regime constitutes a low-pass frequency filter for phonons. Our simulations show an energy rejection rate better than 90% for high \\zeta , which paves the way for potential high performance filters. Filtering out high frequency phonons is of significant interest for phononic crystal applications, which use band engineering of phonons in the wave regime with low frequencies.

  11. The complex band structure for armchair graphene nanoribbons

    Institute of Scientific and Technical Information of China (English)

    Zhang Liu-Jun; Xia Tong-Sheng

    2010-01-01

    Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N= 3M-1. The band gap is almost unchanged for N = 3M + 1, but decreased for N = 3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nmaoribbons, and is also classified into three classes.

  12. Electromechanical field effect transistors based on multilayer phosphorene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Z.T., E-mail: jiangzhaotan@hotmail.com; Lv, Z.T.; Zhang, X.D.

    2017-06-21

    Based on the tight-binding Hamiltonian approach, we demonstrate that the electromechanical field effect transistors (FETs) can be realized by using the multilayer phosphorene nanoribbons (PNRs). The synergistic combination of the electric field and the external strains can establish the on–off switching since the electric field can shift or split the energy band, and the mechanical strains can widen or narrow the band widths. This kind of multilayer PNR FETs, much solider than the monolayer PNR one and more easily biased by different electric fields, has more transport channels consequently leading to the higher on–off current ratio or the higher sensitivity to the electric fields. Meanwhile, the strain-induced band-flattening will be beneficial for improving the flexibility in designing the electromechanical FETs. In addition, such electromechanical FETs can act as strain-controlled FETs or mechanical detectors for detecting the strains, indicating their potential applications in nano- and micro-electromechanical fields. - Highlights: • Electromechanical transistors are designed with multilayer phosphorene nanoribbons. • Electromechanical synergistic effect can establish the on–off switching more flexibly. • Multilayer transistors, solider and more easily biased, has more transport channels. • Electromechanical transistors can act as strain-controlled transistors or mechanical detectors.

  13. Polarity control of h-BN nanoribbon edges by strain and edge termination.

    Science.gov (United States)

    Yamanaka, Ayaka; Okada, Susumu

    2017-03-29

    We studied the polarity of h-BN nano-flakes in terms of their edge geometries, edge hydrogen termination, and uniaxial strain by evaluating their electrostatic potential using density functional theory. Our calculations have shown that the polarity of the nanoribbons is sensitive to their edge shape, edge termination, and uniaxial tensile strain. Polarity inversion of the ribbons can be induced by controlling the hydrogen concentration at the edges and the uniaxial tensile strain. The polarity inversion indicates that h-BN nanoribbons can exhibit non-polar properties at a particular edge hydrogen concentration and tensile strain, even though the nanoribbons essentially have polarity at the edge. We also found that the edge angle affects the polarity of nanoribbons with hydrogenated edges.

  14. Plasmonic extinction of gated graphene nanoribbon array analyzed by a scaled uniform Fermi level.

    Science.gov (United States)

    Kong, Xiang-Tian; Yang, Xiaoxia; Li, Zhenjun; Dai, Qing; Qiu, Xiaohui

    2014-03-15

    A uniform Fermi level profile is typically assumed in the analysis of a gated graphene nanoribbon, whose Fermi level is actually nonuniform in the experimental measurements. Here, we show that the uniform Fermi level has to be downshifted when it is used to analyze a backgated graphene nanoribbon array (GNRA). The plasmonic extinction behaviors of the GNRAs are perfectly preserved by assuming properly scaled uniform Fermi levels. The scaling factor is independent of the average value of the actual Fermi level profile, but it is a function of the ratio of the nanoribbon width to the distance of the nanoribbons from the backgate. This study facilitates the data postprocessing in the experiments, and may be helpful for analyzing the electron behaviors in GNRAs.

  15. The influence of tilt grain boundaries on the mechanical properties of bicrystalline graphene nanoribbons

    Science.gov (United States)

    Xu, Na; Guo, Jian-Gang; Cui, Zhen

    2016-10-01

    The mechanical properties of bicrystalline graphene nanoribbons with various tilt grain boundaries (GBs) which typically consist of repeating pentagon-heptagon ring defects are investigated based on the method of molecular structural mechanics. The GB models are constructed via the theory of disclinations in crystals, and the elastic properties and ultimate strength of bicrystalline graphene nanoribbons are calculated under uniaxial tensile loads in perpendicular and parallel directions to grain boundaries. The dependence of mechanical properties is analyzed on the chirality and misorientation angles of graphene nanoribbons, and the experimental phenomena that Young's modulus and ultimate strength of bicrystalline graphene nanoribbons can either increase or decrease with the grain boundary angles are further verified and discussed. In addition, the influence of GB on the size effects of graphene Young's modulus is also analyzed.

  16. Schematics and Energetics of Bucky Shuttle Memory on Graphene Nanoribbon Array.

    Science.gov (United States)

    Kang, Jeong Won; Lee, Kang Whan

    2016-03-01

    Conjugated carbon nanomaterials such as fullerene-nanotube, fullerene-graphene, and nanotube-graphene hybrids have great potential for various applications. This paper presents the schematics and energetics of a nonvolatile nanomemory element based on a fullerene-nanotube-graphene hybrid. The system proposed was composed of C60 fullerene and a nanotube placed on two graphene-nanoribbons with a gap. The C60 fullerene encapsulated in the nanotube can shuttle between two graphene-nanoribbons along the nanotube under the alternatively applied force fields. When the encapsulated C60 fullerene settles on the graphene-nanoribbons, the local energy minima are achieved from the attractive van der Waals potential energies. Since the C60 fullerene retains its position on the graphene-nanoribbon without external force fields, the proposed system can then operate a nonvolatile memory device.

  17. Tuning magnetic splitting of zigzag graphene nanoribbons by edge functionalization with hydroxyl groups

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Huizhen; Yang, Haifang; Li, Lin; Fu, Huixia; Ma, Wei; Niu, Chunyao; Sun, Jiatao, E-mail: jtsun@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing 100190 (China); Meng, Sheng; Gu, Changzhi, E-mail: czgu@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)

    2015-03-21

    The electronic properties and relative stability of zigzag graphene nanoribbons are studied by varying the percentage of hydroxyl radicals for edge saturation using first principle calculations. The passivated structures of zigzag graphene nanoribbon have spin-polarized ground state with antiferromagnetic exchange coupling across the edge and ferromagnetic coupling along the edges. When the edges are specially passivated by hydroxyl, the potentials of spin exchange interaction across the two edges shift accordingly, resulting into a spin-semiconductor. Varying the concentration of hydroxyl groups can alter the maximum magnetization splitting. When the percentage of asymmetrically adsorbed hydroxyl reaches 50%, the magnetization splitting can reach a value as high as 275 meV due to the asymmetrical potential across the nanoribbon edges. These results would favor spintronic device applications based on zigzag graphene nanoribbons.

  18. Electronic and magnetic properties of zigzag C2N-h2D nanoribbons: Edge and width effects

    Science.gov (United States)

    Yu, H. L.; Jiang, X. F.; Cai, M. Q.; Feng, J. F.; Chen, X. S.; Yang, X. F.; Liu, Y. S.

    2017-10-01

    Based on first-principles calculations, we have systematically investigated the structural stability, electronic and magnetic properties of zigzag C2N nanoribbons (ZC2NNRs). Different from zigzag graphene nanoribbons (ZGNRs), the ground states of ZC2NNRs present ferromagnetic metal, antiferromagnetic semiconductor and spin semiconductor dependently on the edge configuration and width of nanoribbons. Our results suggest the ZC2NNRs have great potential applications in spintronic, thermoelectric and optoelectronic devices.

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

    Energy Technology Data Exchange (ETDEWEB)

    Farokhnezhad, Mohsen, E-mail: Mohsen-farokhnezhad@physics.iust.ac.ir; Esmaeilzadeh, Mahdi, E-mail: mahdi@iust.ac.ir; Pournaghavi, Nezhat [Department of Physics, Iran University of Science and Technology, Narmak, Tehran 16844 (Iran, Islamic Republic of); Ahmadi, Somaieh [Department of Physics, Imam Khomeini International University, Qazvin (Iran, Islamic Republic of)

    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. The 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.

  20. The Effect of Bilayer Graphene Nanoribbon Geometry on Schottky-Barrier Diode Performance

    Directory of Open Access Journals (Sweden)

    Meisam Rahmani

    2013-01-01

    Full Text Available Bilayer graphene nanoribbon is a promising material with outstanding physical and electrical properties that offers a wide range of opportunities for advanced applications in future nanoelectronics. In this study, the application of bilayer graphene nanoribbon in schottky-barrier diode is explored due to its different stacking arrangements. In other words, bilayer graphene nanoribbon schottky-barrier diode is proposed as a result of contact between a semiconductor (AB stacking and metal (AA stacking layers. To this end, an analytical model joint with numerical solution of carrier concentration for bilayer graphene nanoribbon in the degenerate and nondegenerate regimes is presented. Moreover, to determine the proposed diode performance, the carrier concentration model is adopted to derive the current-voltage characteristic of the device. The simulated results indicate a strong bilayer graphene nanoribbon geometry and temperature dependence of current-voltage characteristic showing that the forward current of the diode rises by increasing of width. In addition, the lower value of turn-on voltage appears as the more temperature increases. Finally, comparative study indicates that the proposed diode has a better performance compared to the silicon schottky diode, graphene nanoribbon homo-junction contact, and graphene-silicon schottky diode in terms of electrical parameters such as turn-on voltage and forward current.

  1. Morphology of a graphene nanoribbon encapsulated in a carbon nanotube

    Directory of Open Access Journals (Sweden)

    F. Furuhashi

    2013-09-01

    Full Text Available The morphologies of graphene nanoribbons (GNRs encapsulated in single-walled carbon nanotubes (SWNTs are investigated using molecular-dynamics (MD simulation. The GNRs are assumed to be hydrogen-terminated and formed by connecting polycyclic aromatic hydrocarbons, perylene or coronene molecules. The combined structures consisting of a GNR and an encapsulating SWNT are equilibrated at room temperature. It is shown that if the diameter of a SWNT is larger than the sum of the width of the GNR and twice the length of a C-H bond, a twisted GNR is obtained, whereas if the diameter of a SWNT is smaller than the sum of the two, the cross section of the SWNT cannot maintain its original circular shape and elliptically distorts, and a non-twisted GNR or a twisted GNR of long pitch is obtained. The estimated pitch of a regularly-twisted GNR agrees with the experimentally observed one in order of magnitude.

  2. Perfect spin filtering effect in ultrasmall helical zigzag graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zi-Yue, E-mail: zzy8423@jiangnan.edu.cn

    2017-02-05

    The spin-polarized transport properties of helical zigzag graphene nanoribbons (ZGNRs) are investigated by first-principles calculations. It is found that although all helical ZGNRs have similar density of states and edge states, they show obviously different transport characteristics depending on the curling manners. ZGNRs curled along zigzag orientation exhibit perfect spin filtering effect with a large spin-split gap near the Fermi level, while ZGNRs curled along armchair orientation behave as conventional conductors for both two spin channels. The spin filtering effect will be weakened with the increase of either ribbon width or curling diameter. The results suggest that ultrasmall helical ZGNRs have important potential applications in spintronics and flexible electronics. - Highlights: • Perfect spin filtering effect has been found in helical ZGNRs. • The effect strongly depends on the curling manners of ZGNRs. • Different transport properties do not induced by distinct electronic properties. • The effect may be weakened with increasing either ribbon width or curling diameter.

  3. Graphene Nanoribbon Conductance Model in Parabolic Band Structure

    Directory of Open Access Journals (Sweden)

    Mohammad Taghi Ahmadi

    2010-01-01

    Full Text Available Many experimental measurements have been done on GNR conductance. In this paper, analytical model of GNR conductance is presented. Moreover, comparison with published data which illustrates good agreement between them is studied. Conductance of GNR as a one-dimensional device channel with parabolic band structures near the charge neutrality point is improved. Based on quantum confinement effect, the conductance of GNR in parabolic part of the band structure, also the temperature-dependent conductance which displays minimum conductance near the charge neutrality point are calculated. Graphene nanoribbon (GNR with parabolic band structure near the minimum band energy terminates Fermi-Dirac integral base method on band structure study. While band structure is parabola, semiconducting GNRs conductance is a function of Fermi-Dirac integral which is based on Maxwell approximation in nondegenerate limit especially for a long channel.

  4. Anomalous friction of graphene nanoribbons on waved graphenes

    Directory of Open Access Journals (Sweden)

    Jun Fang

    2015-11-01

    Full Text Available Friction plays a critical role in the function and maintenance of small-scale structures, where the conventional Coulomb friction law often fails. To probe the friction at small scales, here we present a molecular dynamics study on the process of dragging graphene nanoribbons on waved graphene substrates. The simulation shows that the induced friction on graphene with zero waviness is ultra-low and closely related to the surface energy barrier. On waved graphenes, the friction generally increases with the amplitude of the wave at a fixed period, but anomalously increases and then decreases with the period at a fixed amplitude. These findings provide insights into the ultra-low friction at small scales, as well as some guidelines into the fabrication of graphene-based nano-composites with high performance.

  5. Magnetic properties of silicene nanoribbons: A DFT study

    Science.gov (United States)

    Liu, Wenhao; Zheng, Jiming; Zhao, Puju; Cheng, Shuguang; Guo, Chongfeng

    2017-06-01

    Magnetism of two-dimensional (2D) materials with bipartite lattice attracts increasingly attention, but the fundamental Lieb's theory for predicting the magnetism of bipartite lattices is lack of clear physical picture. Here, an alternative approach to understand the magnetism of 2D materials is presented, in which bipartite lattice is proposed to preserve a potential magnetic order (each sublattice keeps the same spin). The electronic system with sp2 hybridization achieves this order by covalent sp2-σ or pz-π bonds concurrently, and proper edge morphology manifests this order. According to our approach, even silicene nanoribbon with armchair edges can show ferromagnetic ground states by proper design. This work would be helpful for designing spintronic devices.

  6. Adiabatic quantum pump in a zigzag graphene nanoribbon junction

    Institute of Scientific and Technical Information of China (English)

    张林

    2015-01-01

    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.

  7. Optoelectronic Properties for Armchair-Edge Graphene Nanoribbons

    Institute of Scientific and Technical Information of China (English)

    PENG Xin-Xiang; LIAO Wen-Hu; ZHOU Guang-Hui

    2008-01-01

    We study theoretically the electronic and transport property for an armchair-edge graphene nanoribbon (GNR)with 12 and 11 transversal atomic lines, respectively. The GNR is irradiated under an external longitudinal polarized high-frequency electromagnetic field at tow temperatures. Within the framework of linear response theory in the perturbative regime, we examine the joint density of states and the real conductance of the system, It is demonstrated that, by numerical examples, some new photon-assisted intersubband transitions over a certain range of field frequency exist with different selection rules from those of both zigzag-edge GNR and single-walled carbon nanotube. This opto-electron property dependence of armchair-edge GNR on field frequency may be used to detect the high-frequency electromagnetic irradiation.

  8. Carbon nanotube and graphene nanoribbon-coated conductive Kevlar fibers.

    Science.gov (United States)

    Xiang, Changsheng; Lu, Wei; Zhu, Yu; Sun, Zhengzong; Yan, Zheng; Hwang, Chi-Chau; Tour, James M

    2012-01-01

    Conductive carbon material-coated Kevlar fibers were fabricated through layer-by-layer spray coating. Polyurethane was used as the interlayer between the Kevlar fiber and carbon materials to bind the carbon materials to the Kevlar fiber. Strongly adhering single-walled carbon nanotube coatings yielded a durable conductivity of 65 S/cm without significant mechanical degradation. In addition, the properties remained stable after bending or water washing cycles. The coated fibers were analyzed using scanning electron microcopy and a knot test. The as-produced fiber had a knot efficiency of 23%, which is more than four times higher than that of carbon fibers. The spray-coating of graphene nanoribbons onto Kevlar fibers was also investigated. These flexible coated-Kevlar fibers have the potential to be used for conductive wires in wearable electronics and battery-heated armors.

  9. Ultrahigh performance supercapacitor from lacey reduced graphene oxide nanoribbons.

    Science.gov (United States)

    Sahu, Vikrant; Shekhar, Shashank; Sharma, Raj Kishore; Singh, Gurmeet

    2015-02-11

    High performance lacey reduced graphene oxide nanoribbons (LRGONR) were chemically synthesized. Holes created during the LRGONR synthesis not only enhanced the electrolytic accessibility but destacked all the graphene layers through protrusion at edge planes and corrugation in individual graphene. LRGONR in a supercapacitor cell showed ultrahigh performance in terms of specific capacitance and capacity retention. Consistently in aqueous, nonaqueous, and ionic electrolytes, LRGONR symmetric supercapacitor exhibited exceptionally high energy/power density, typically 15.06 W h kg(-1)/807 W kg(-1) in aqueous at 1.7 A g(-1), 90 W h kg(-1)/2046.8 W kg(-1) in nonaqueous at 1.8 A g(-1), and 181.5 W h kg(-1)/2316.8 W kg(-1) in ionic electrolyte at ∼1.6 A g(-1).

  10. Gap engineering in strained fold-like armchair graphene nanoribbons

    Science.gov (United States)

    Torres, V.; León, C.; Faria, D.; Latgé, A.

    2017-01-01

    Strained fold-like deformations on armchair graphene nanoribbons (AGNRs) can be properly engineered in experimental setups, and could lead to a controlling tool for gaps and transport properties. Here, we analyze the electronic properties of folded AGNRs relating to the electronic responses and the mechanical deformation. An important and universal parameter for the gap engineering is the ribbon percent-width variation, i.e., the difference between the deformed and undeformed ribbon widths. AGNRs band gap can be tuned mechanically in a well-defined bounded range of energy values, eventually leading to a metallic system. This characteristic provides a controllable degree of freedom that allows manipulation of electronic currents. We show that the numerical results are analytically predicted by solving the Dirac equation for the strained system.

  11. Magneto-electronic and optical properties of zigzag silicene nanoribbons

    Science.gov (United States)

    Shyu, Feng-Lin

    2017-03-01

    The tight-binding model including the spin-orbit coupling (SOC) is used to study electronic and optical properties of zigzag silicene nanoribbons (ZSiNRs) in magnetic and electric fields. The SOC affects the low-energy bands and induces new selection rules leading to richer optical spectra. Except an increase in bandgaps, perpendicular magnetic field further exhibits spin-polarized Landau levels, in which electron's probability density of band-edge states distributes like a standing-wave. Landau levels could enhance the DOS and increases absorption frequency and strength. Perpendicular electric field (Fz) increases bandgap and thus absorption frequency, but it does not change band symmetry, edge-states, and selection rules. Moreover, Fz enhances the split of spin-polarized states inducing more absorption peaks. Parallel electric field (Fx) leads to an overlap between conduction and valence bands and destroys band symmetry and Landau levels. Consequently, Fx exhibits new selection rules and enriches absorption spectra.

  12. Huge inelastic current at low temperature in graphene nanoribbons

    Science.gov (United States)

    Li, Bo-Lin; Chen, Ke-Qiu

    2017-02-01

    The nonequilibrium Green’s function and the generalized lowest-order expansion method with consideration of electron-phonon interactions (EPIs) are used to investigate the spin-dependent electronic transport properties of ferromagnetic zigzag graphene nanoribbons. Results show that the consideration of EPIs will lead to a 4-5 orders of magnitude increase of the current in some bias regions when the spin polarizations of two electrodes are antiparallel. This results in the vanishing of the dual spin filtration effect and a narrowing of the effective bias region of giant magnetoresistance. The increases of the current mainly from the first Born scattering process, and can be described by the Fermi’s golden rule, and may be a result of the breaking of the structural symmetry by the introduction of phonons.

  13. Perfect spin filtering effect in ultrasmall helical zigzag graphene nanoribbons

    Science.gov (United States)

    Zhang, Zi-Yue

    2017-02-01

    The spin-polarized transport properties of helical zigzag graphene nanoribbons (ZGNRs) are investigated by first-principles calculations. It is found that although all helical ZGNRs have similar density of states and edge states, they show obviously different transport characteristics depending on the curling manners. ZGNRs curled along zigzag orientation exhibit perfect spin filtering effect with a large spin-split gap near the Fermi level, while ZGNRs curled along armchair orientation behave as conventional conductors for both two spin channels. The spin filtering effect will be weakened with the increase of either ribbon width or curling diameter. The results suggest that ultrasmall helical ZGNRs have important potential applications in spintronics and flexible electronics.

  14. Dynamic RKKY interaction between magnetic moments in graphene nanoribbons

    Science.gov (United States)

    Guimarães, F. S. M.; Duffy, J.; Costa, A. T.; Muniz, R. B.; Ferreira, M. S.

    2016-12-01

    Graphene has been identified as a promising material with numerous applications, particularly in spintronics. In this paper we investigate the peculiar features of spin excitations of magnetic units deposited on graphene nanoribbons and how they can couple through a dynamical interaction mediated by spin currents. We examine in detail the spin lifetimes and identify a pattern caused by vanishing density of states sites in pristine ribbons with armchair borders. Impurities located on these sites become practically invisible to the interaction but can be made accessible by a gate voltage or doping. We also demonstrate that the coupling between impurities can be turned on or off using this characteristic, which may be used to control the transfer of information in transistorlike devices.

  15. Zigzag graphene nanoribbon edge reconstruction with Stone-Wales defects

    DEFF Research Database (Denmark)

    Rodrigues, J. N. B.; Gonçalves, P. A. D; Rodrigues, N. F. G.;

    2011-01-01

    In this paper, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab initio calculations of very narrow ribbons. We explore the characteristics of the electronic band...... structure with a focus on the nature of edge states. Edge reconstruction allows the appearance of a new type of edge states. They are dispersive, with nonzero amplitudes in both sublattices; furthermore, the amplitudes have two components that decrease with different decay lengths with the distance from...... the edge; at the Dirac points one of these lengths diverges, whereas the other remains finite, of the order of the lattice parameter. We trace this curious effect to the doubling of the unit cell along the edge, brought about by the edge reconstruction. In the presence of a magnetic field, the zero...

  16. Spin-polarized transport in graphene nanoribbon superlattices

    Institute of Scientific and Technical Information of China (English)

    Yu Xin-Xin; Xie Yue-E; OuYang Tao; Chen Yuan-Ping

    2012-01-01

    By the Green's function method,we investigate spin transport properties of a zigzag graphene nanoribbon superlattice (ZGNS) under a ferromagnetic insulator and edge effect.The exchange splitting induced by the ferromagnetic insulator eliminates the spin degeneracy,which leads to spin-polarized transport in structure.Spin-dependent minibands and minigaps are exhibited in the conductance profile near the Fermi energy.The location and width of the miniband are associated with the geometry of the ZGNS.In the optimal structure,the spin-up and spin-down minibands can be separated completely near the Fermi energy.Therefore,a wide,perfect spin polarization with clear stepwise pattern is observed,i.e.,the perfect spin-polarized transport can be tuned from spin up to spin down by varying the electron energy.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sandeep, E-mail: skumar198712@gmail.com; Sharma, Hitesh, E-mail: dr.hitesh.phys@gmail.com [Department of Physics, Punjab Technical University Kapurthala, Punjab-144601 (India)

    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 gap significantly. The results are in agreement with the available experimental and theoretical results.

  18. Palladium Decorated Graphene-Nanoribbon Network for Enhanced Gas Sensing.

    Science.gov (United States)

    Kuru, Cihan; Choi, Duyoung; Choi, Chulmin; Kim, Young Jin; Jin, Sungho

    2015-03-01

    The fabrication of large-scale graphene nanoribbon (GNR) network and its application for gas sensing are reported. A large area, nanoscale GNR network was produced by a facile approach of silver nanowires (Ag NWs) templated graphene masking and subsequent 02 plasma etching. GNR network shows significantly enhanced sensitivity to ammonia gas compared to pristine graphene layer. The gas detection sensitivity of the nanoscale GNR network is even further improved by decorating GNR network with palladium (Pd) or platinum (Pt) nanoparticles, which show a relative resistance response of 65% and 45%, respectively to 50 ppm (parts per million) of ammonia (NH3) in nitrogen (N2) at room temperature as well as good reversibility in air.

  19. Strain-activated edge reconstruction of graphene nanoribbons

    KAUST Repository

    Cheng, Yingchun

    2012-02-17

    The edge structure and width of graphene nanoribbons (GNRs) are crucial factors for the electronic properties. A combination of experiment and first-principles calculations allows us to determine the mechanism of the hexagon-hexagon to pentagon-heptagon transformation. GNRs thinner than 2 nm have been fabricated by bombardment of graphene with high-energetic Au clusters. The edges of the GNRs are modified in situ by electron irradiation. Tensile strain along the edge decreases the transformation energy barrier. Antiferromagnetism and a direct band gap are found for a zigzag GNR, while a fully reconstructed GNR shows an indirect band gap. A GNR reconstructed on only one edge exhibits ferromagnetism. We propose that strain is an effective method to tune the edge and, therefore, the electronic structure of thin GNRs for graphene-based electronics.

  20. Extremely strong bipolar optical interactions in paired graphene nanoribbons.

    Science.gov (United States)

    Lu, Wanli; Chen, Huajin; Liu, Shiyang; Zi, Jian; Lin, Zhifang

    2016-03-28

    Graphene is an excellent multi-functional platform for electrons, photons, and phonons due to exceptional electronic, photonic, and thermal properties. When combining its extraordinary mechanical characteristics with optical properties, graphene-based nanostructures can serve as an appealing platform for optomechanical applications at the nanoscale. Here, we demonstrate, using full-wave simulations, the emergence of extremely strong bipolar optical forces, or, optical binding and anti-binding, between a pair of coupled graphene nanoribbons, due to the remarkable confinement and enhancement of optical fields arising from the large effective mode indices. In particular, the binding and anti-binding forces, which are about two orders of magnitude stronger than that in metamaterials and high-Q resonators, can be tailored by selective excitation of either the even or the odd optical modes, achievable by tuning the relative phase of the lightwaves propagating along the two ribbons. Based on the coupled mode theory, we derive analytical formulae for the bipolar optical forces, which agree well with the numerical results. The attractive optical binding force F(y)(b) and the repulsive anti-binding force F(y)(a) exhibit a remarkably different dependence on the gap distance g between the nanoribbons and the Fermi energy E(F), in the forms of F(y)(b) ∝ 1/√(g³E(F)) and F(y)(a) ∝ 1/E(F)(2). With E(F) dynamically tunable by bias voltage, the bipolar forces may provide a flexible handle for active control of the nanoscale optomechanical effects, and also, might be significant for optoelectronic and optothermal applications as well.

  1. Mechanics of rolling of nanoribbon on tube and sphere

    Science.gov (United States)

    Yin, Qifang; Shi, Xinghua

    2013-05-01

    The configuration of graphene nano-ribbon (GNR) assembly on carbon nanotube (CNT) and sphere is studied through theoretical modeling and molecular simulation. The GNR can spontaneously wind onto the CNT due to van der Waals (vdW) interaction and form two basic configurations: helix and scroll. The final configuration arises from the competition among three energy terms: the bending energy of the GNR, the vdW interaction between GNR and CNT, the vdW between the GNR itself. We derive analytical solutions by accounting for the three energy parts, with which we draw phase diagrams and predict the final configuration (helix or scroll) based on the selected parameters. The molecular simulations are conducted to verify the model with the results agree well with the model predicted. Our work can be used to actively control and transfer the tube-like nanoparticles and viruses as well as to assemble ribbon-like nanomaterials.The configuration of graphene nano-ribbon (GNR) assembly on carbon nanotube (CNT) and sphere is studied through theoretical modeling and molecular simulation. The GNR can spontaneously wind onto the CNT due to van der Waals (vdW) interaction and form two basic configurations: helix and scroll. The final configuration arises from the competition among three energy terms: the bending energy of the GNR, the vdW interaction between GNR and CNT, the vdW between the GNR itself. We derive analytical solutions by accounting for the three energy parts, with which we draw phase diagrams and predict the final configuration (helix or scroll) based on the selected parameters. The molecular simulations are conducted to verify the model with the results agree well with the model predicted. Our work can be used to actively control and transfer the tube-like nanoparticles and viruses as well as to assemble ribbon-like nanomaterials. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr00489a

  2. Anomalous length dependence of the conductance of graphene nanoribbons with zigzag edges

    KAUST Repository

    Bilić, Ante

    2013-01-01

    Charge transport through two sets of symmetric graphene nanoribbons with zigzag shaped edges in a two-terminal device has been investigated, using density functional theory combined with the non-equilibrium Green\\'s function method. The conductance has been explored as a function of nanoribbon length, bias voltage, and the strength of terminal coupling. The set of narrower nanoribbons, in the form of thiolated linear acenes, shows an anomalous length dependence of the conductance, which at first exhibits a drop and a minimum, followed by an evident rise. The length trend is shown to arise because of a gradual transformation in the transport mechanism, which changes from being governed by a continuum of out-of-plane π type and in-plane state channels to being fully controlled by a single, increasingly more resonant, occupied π state channel. For the set of nanoribbons with a wider profile, a steady increase is observed across the whole length range, owing to the absence of the former transport mechanism. The predicted trends are confirmed by the inclusion of self-interaction correction in the calculations. For both sets of nanoribbons the replacement of the strongly coupling thiol groups by weakly bonding phenathroline has been found to cause a strong attenuation with the length and a generally low conductance. © 2013 American Institute of Physics.

  3. The defect location effect on thermal conductivity of graphene nanoribbons based on molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Dongjing; Yang, Ping, E-mail: yangpingdm@ujs.edu.cn; Yuan, Xaioming; Guo, Juan; Liao, Ningbo

    2015-04-17

    The defect location effect on thermal conductivity of single-layer graphene nanoribbons is investigated. The length and width of pristine graphene nanoribbons are 12.3 nm and 5.112 nm in this paper. The results show the defect location has different levels of influence on thermal conductivity in horizontal and vertical directions. In vertical direction, the change of thermal conductivity is smaller than that in horizontal direction. The thermal conductivity of graphene nanoribbons shows some nonlinearity such as periodic trend when changing the defect location. It implies the chirality of zigzag graphene nanoribbons. In addition, phonon spectrum of atoms on the sides of the model is calculated. The results suggest the effect is greatly influenced by boundary scattering. - Highlights: • We investigated defect location effect on thermal conductivity of graphene nanoribbon. • We find the fantastic different levels of influence on thermal conductivity in horizontal and vertical directions. • It implies the potential for design of a new rectification with superiority.

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

    Science.gov (United States)

    Wierzbicki, Michał; Barnaś, Józef; Swirkowicz, Renata

    2015-12-01

    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.

  5. Doping effects on the electronic properties of armchair phosphorene nanoribbons: A first-principles study

    Science.gov (United States)

    Zhou, Wenzhe; Zou, Hui; Xiong, Xiang; Zhou, Yu; Liu, Rutie; Ouyang, Fangping

    2017-10-01

    On the basis of first-principles density functional theory, the different electronic structures of marginal or central doped armchair phosphorene nanoribbons with various species were calculated. It was found that the bonds between the foreign atoms and the adjacent P atoms are energetically more stable for central doping. The electronic properties of the doped ribbons are strongly related to the valence electron number of foreign atoms. B-, N-, F-, Al-doped (type Ⅰ) armchair phosphorene nanoribbons remain nonmagnetic semiconductors. The bandgap of the central doped nanoribbons is larger than that of the marginal doped nanoribbons. C, O, Si, S doping (type Ⅱ) at the edge introduce about 1 μB delocalized magnetic moment, while significantly decreasing for central doping, which is associated with electron transferring from foreign atoms to neighboring P atoms. The magnetism introduced by type Ⅱ dopants is provided by multiple orbits between the foreign atoms and the adjacent P atoms and delocalized on the edge for marginal doping. These results prove that the presence and the location of isolated electrons are both important factors for modulation of magnetic properties of armchair phosphorene nanoribbons through substitutional doping.

  6. Electronic properties of impurity-infected few-layer graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi, Hamze, E-mail: hamze.mousavi@gmail.com [Department of Physics, Razi University, Kermanshah (Iran, Islamic Republic of); Nano Science and Nano Technology Research Center, Razi University, Kermanshah (Iran, Islamic Republic of); Bagheri, Mehran [Laser and Plasma Research Institute, Shahid Beheshti University, G.C., Evin, Tehran 19835-63113 (Iran, Islamic Republic of)

    2015-02-01

    Spurred by achievements in devising different multilayered graphene-based nano-systems, based on the random tight-binding Hamiltonian model and within the coherent potential approximation, the influence of varying the number of layers and the effect of doping by the boron and nitrogen impurities on the density of states of a mono- and few-layer armchair- and zigzag-edge graphene nanoribbons are theoretically investigated. When the nanoribbons are pristine, with increasing the number of layers the band gap of the armchair nanoribbons is decreased, yet the zigzag ribbons remain metallic and depending on the number of the layers few peaks are appeared around the zero-energy level. Moreover, in the presence of impurities, the band gap of the armchair nanoribbons is decreased for each number of layers. The Van-Hove singularities are steadily broadened and the density of states move to a higher (lower) value of the energy as a result of doping with boron (nitrogen) atoms. This study could provide with us to explore and devise new optoelectronic devices based on the impurity-infected graphene nanoribbons with tunable widths and edges.

  7. Spontaneous high piezoelectricity in poly(vinylidene fluoride) nanoribbons produced by iterative thermal size reduction technique.

    Science.gov (United States)

    Kanik, Mehmet; Aktas, Ozan; Sen, Huseyin Sener; Durgun, Engin; Bayindir, Mehmet

    2014-09-23

    We produced kilometer-long, endlessly parallel, spontaneously piezoelectric and thermally stable poly(vinylidene fluoride) (PVDF) micro- and nanoribbons using iterative size reduction technique based on thermal fiber drawing. Because of high stress and temperature used in thermal drawing process, we obtained spontaneously polar γ phase PVDF micro- and nanoribbons without electrical poling process. On the basis of X-ray diffraction (XRD) analysis, we observed that PVDF micro- and nanoribbons are thermally stable and conserve the polar γ phase even after being exposed to heat treatment above the melting point of PVDF. Phase transition mechanism is investigated and explained using ab initio calculations. We measured an average effective piezoelectric constant as -58.5 pm/V from a single PVDF nanoribbon using a piezo evaluation system along with an atomic force microscope. PVDF nanoribbons are promising structures for constructing devices such as highly efficient energy generators, large area pressure sensors, artificial muscle and skin, due to the unique geometry and extended lengths, high polar phase content, high thermal stability and high piezoelectric coefficient. We demonstrated two proof of principle devices for energy harvesting and sensing applications with a 60 V open circuit peak voltage and 10 μA peak short-circuit current output.

  8. Nanoribbons: From fundamentals to state-of-the-art applications

    Science.gov (United States)

    Yagmurcukardes, M.; Peeters, F. M.; Senger, R. T.; Sahin, H.

    2016-12-01

    Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed

  9. Effects of Rashba spin-orbit coupling on the conductance of graphene-based nanoribbons

    Science.gov (United States)

    Rashidian, Zeinab; Bayati, Parvin; Lorestaniwiess, Zeinab

    2017-03-01

    The transmission properties of armchair- and zigzag-edged graphene nanoribbon junctions between graphene electrodes are examined by means of the standard nonequilibrium Green’s function (NEGF) technique. The quantum transport of electrons is studied through a monolayer graphene strip in the presence of Rashba spin-orbit coupling that acts as a barrier between the two normal leads. The present work compares the conductances of nanoribbons with zigzag and armchair edges. Since the nature of induced gap for zigzag edge is different from armchair, it is expected to give rise to different types of conductance for each edge. Findings indicate that the Rashba strength has more pronounced influence on armchair ribbons than on zigzag ribbons, and the minimum conductance of 2G0 for nanoribbon remains intact even in the presence of the Rashba spin-orbit coupling. It is predicted that controllability of spin transport in the monolayer graphene may contribute to the development of well-known spintronics.

  10. Spin-polarized transport in a normal/ferromagnetic/normal zigzag graphene nanoribbon junction

    Institute of Scientific and Technical Information of China (English)

    Tian Hong-Yu; Wang Jun

    2012-01-01

    We investigate the spin-dependent electron transport in single and double normal/ferromagnetic/normal zigzag graphene nanoribbon (NG/FG/NG) junctions.The ferromagnetism in the FG region originates from the spontaneous magnetization of the zigzag graphene nanoribbon.It is shown that when the zigzag-chain number of the ribbon is even and only a single transverse mode is actived,the single NG/FG/NG junction can act as a spin polarizer and/or a spin analyzer because of the valley selection rule and the spin-exchange field in the FG,while the double NG/FG/NG/FG/NG junction exhibits a quantum switching effect,in which the on and the off states switch rapidly by varying the cross angle between two FG magnetizations.Our findings may shed light on the application of magnetized graphene nanoribbons to spintronics devices.

  11. Variability of bandgap and carrier mobility caused by edge defects in ultra-narrow graphene nanoribbons

    Science.gov (United States)

    Poljak, M.; Wang, K. L.; Suligoj, T.

    2015-06-01

    We report the results of multi-scale modeling of ultra-narrow graphene nanoribbons (GNRs) that combines atomistic non-equilibrium Green's function (NEGF) approach with semiclassical mobility modeling. The variability of the transport gap and carrier mobility caused by random edge defects is analyzed. We find that the variability increases as the GNR width is downscaled and that even the minimum variation of the total mobility reaches more than 100% compared to average mobility in edge-defected nanoribbons. It is shown that scattering by optical phonons exhibits significantly more variability than the acoustic, line-edge roughness and Coulomb scattering mechanisms. The simulation results demonstrate that sub-5 nm-wide nanoribbons offer no improvement over conventional bulk semiconductors, however, GNRs are comparable with sub-7 nm-thick silicon-on-insulator devices in terms of mobility-bandgap trade-off characteristics.

  12. Electronic and mechanical properties of hybrid graphene/h-BN nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Pooja,, E-mail: j.poojaa1228@gmail.com; Sharma, Munish; Ahluwalia, P. K. [Physics Department, Himachal Pradesh University, Shimla-171005 (India); Kumar, Ashok [Physics Department, Panjab University, Chandigarh-160014 (India); Thakur, Anil [Physics Department, Govt. Collage Solan, Himachal Pradesh-173212 (India)

    2015-06-24

    The electronic and mechanical properties of one-dimensional super lattice which are composed of controlled domain size of graphene and h-BN nanoribbons with saturated and unsaturated edges are studied by means of the first-principles method. The results show that the studied zigzag- nanoribbons (Z-GBNNR) with unsaturated edges are half-metallic, while they transform into non-magnetic semiconductor on hydrogen passivations. On the other hand the band-gap of armchair-edges nanoribbons (A-GBNNR) get enhanced by the edges saturation. Furthermore, unsaturated edges A-GBNNR and saturated edges Z-GBNNR are found mechanically more stable. These results provide a fingerprint for their use in spintronics and electronics devices.

  13. Two-dimensional WS2 nanoribbon deposition by conversion of pre-patterned amorphous silicon

    Science.gov (United States)

    Heyne, Markus H.; de Marneffe, Jean-François; Delabie, Annelies; Caymax, Matty; Neyts, Erik C.; Radu, Iuliana; Huyghebaert, Cedric; De Gendt, Stefan

    2017-01-01

    We present a method for area selective deposition of 2D WS2 nanoribbons with tunable thickness on a dielectric substrate. The process is based on a complete conversion of a pre-patterned, H-terminated Si layer to metallic W by WF6, followed by in situ sulfidation by H2S. The reaction process, performed at 450 °C, yields nanoribbons with lateral dimension down to 20 nm and with random basal plane orientation. The thickness of the nanoribbons is accurately controlled by the thickness of the pre-deposited Si layer. Upon rapid thermal annealing at 900 °C under inert gas, the WS2 basal planes align parallel to the substrate.

  14. A Robust Highly Aligned DNA Nanowire Array-Enabled Lithography for Graphene Nanoribbon Transistors.

    Science.gov (United States)

    Kang, Seok Hee; Hwang, Wan Sik; Lin, Zhiqun; Kwon, Se Hun; Hong, Suck Won

    2015-12-01

    Because of its excellent charge carrier mobility at the Dirac point, graphene possesses exceptional properties for high-performance devices. Of particular interest is the potential use of graphene nanoribbons or graphene nanomesh for field-effect transistors. Herein, highly aligned DNA nanowire arrays were crafted by flow-assisted self-assembly of a drop of DNA aqueous solution on a flat polymer substrate. Subsequently, they were exploited as "ink" and transfer-printed on chemical vapor deposited (CVD)-grown graphene substrate. The oriented DNA nanowires served as the lithographic resist for selective removal of graphene, forming highly aligned graphene nanoribbons. Intriguingly, these graphene nanoribbons can be readily produced over a large area (i.e., millimeter scale) with a high degree of feature-size controllability and a low level of defects, rendering the fabrication of flexible two terminal devices and field-effect transistors.

  15. Analytical modeling of trilayer graphene nanoribbon Schottky-barrier FET for high-speed switching applications.

    Science.gov (United States)

    Rahmani, Meisam; Ahmadi, Mohammad Taghi; Abadi, Hediyeh Karimi Feiz; Saeidmanesh, Mehdi; Akbari, Elnaz; Ismail, Razali

    2013-01-30

    Recent development of trilayer graphene nanoribbon Schottky-barrier field-effect transistors (FETs) will be governed by transistor electrostatics and quantum effects that impose scaling limits like those of Si metal-oxide-semiconductor field-effect transistors. The current-voltage characteristic of a Schottky-barrier FET has been studied as a function of physical parameters such as effective mass, graphene nanoribbon length, gate insulator thickness, and electrical parameters such as Schottky barrier height and applied bias voltage. In this paper, the scaling behaviors of a Schottky-barrier FET using trilayer graphene nanoribbon are studied and analytically modeled. A novel analytical method is also presented for describing a switch in a Schottky-contact double-gate trilayer graphene nanoribbon FET. In the proposed model, different stacking arrangements of trilayer graphene nanoribbon are assumed as metal and semiconductor contacts to form a Schottky transistor. Based on this assumption, an analytical model and numerical solution of the junction current-voltage are presented in which the applied bias voltage and channel length dependence characteristics are highlighted. The model is then compared with other types of transistors. The developed model can assist in comprehending experiments involving graphene nanoribbon Schottky-barrier FETs. It is demonstrated that the proposed structure exhibits negligible short-channel effects, an improved on-current, realistic threshold voltage, and opposite subthreshold slope and meets the International Technology Roadmap for Semiconductors near-term guidelines. Finally, the results showed that there is a fast transient between on-off states. In other words, the suggested model can be used as a high-speed switch where the value of subthreshold slope is small and thus leads to less power consumption.

  16. Electron localization due to side-attached molecules on graphene nanoribbons

    Science.gov (United States)

    Nunez, C. D.; Orellana, P. A.; Rosales, L.

    2016-10-01

    In this work, we have studied the electron localization due to a random distribution of side-attached linear organic molecules on graphene nanoribbons. By using the Green's function formalism within a tight binding Hamiltonian approximation and considering an Anderson-like disorder, we have calculated the conductance of the systems and the corresponding localization lengths. Our results show that the localization length strongly depends on the molecular concentration and on the length of the molecules, effects that are robust for different ribbon widths. These results suggest possible applications in molecular detectors or sensors based on graphene nanoribbons.

  17. Field-effect transistor chemical sensors of single nanoribbon of copper phthalocyanine

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Copper phthalocyanine (CuPc) nanoribbon field-effect transistors were implemented as chemical sensors. They showed fast response and high reversibility in the detection of the tetrahydrofuran atmosphere at room temperature. The drain current of the field-effect transistor sensor decreased from 6.7 to 0.2 nA when the transistor was measured under the tetrahydrofuran atmosphere. The sensor was self-refreshable in a few minutes. These results demonstrate that the organic single crystalline nanoribbon transistors could effectively act as chemical sensors.

  18. Electronic thermal conductivity of armchair graphene nanoribbons and zigzag carbon nanotubes

    Science.gov (United States)

    Mousavi, Hamze; Khodadadi, Jabbar; Kurdestany, Jamshid Moradi; Grabowski, Marek

    2017-01-01

    Through the Green's function formalism and tight-binding Hamiltonian model calculations, the temperature dependent electronic thermal conductivity (TC) for different diameters of zigzag carbon nanotubes and their corresponding unzipped armchair graphene nanoribbons is calculated. All functional temperature dependencies bear crossovers, for which, at higher temperatures, nanotubes have a slightly higher TC than their derived nanoribbons, while below that crossover, both systems exhibit a significant coincidence over a moderate range of lower temperatures. Noticeably, TC decreases with increasing the width or diameter of the corresponding systems. Also, at low temperatures TC is proportional to the density of states around the Fermi level, and thus increasing for metal or semiconductors of narrower gap cases.

  19. Enhanced cycling stability of lithium sulfur batteries using sulfur-polyaniline-graphene nanoribbon composite cathodes.

    Science.gov (United States)

    Li, Lei; Ruan, Gedeng; Peng, Zhiwei; Yang, Yang; Fei, Huilong; Raji, Abdul-Rahman O; Samuel, Errol L G; Tour, James M

    2014-09-10

    A hierarchical nanocomposite material of graphene nanoribbons combined with polyaniline and sulfur using an inexpensive, simple method has been developed. The resulting composite, characterized by scanning electron microscopy, transmission electron microscopy, X-ray photoelectron microscopy, and X-ray diffraction analysis, has a good rate performance and excellent cycling stability. The synergistic combination of electrically conductive graphene nanoribbons, polyaniline, and sulfur produces a composite with high performance. The method developed here is practical for the large-scale development of cathode materials for lithium sulfur batteries.

  20. First-principles study on bottom-up fabrication process of atomically precise graphene nanoribbons

    Science.gov (United States)

    Kaneko, Tomoaki; Tajima, Nobuo; Ohno, Takahisa

    2016-06-01

    We investigate the energetics of a polyanthracene formation in the bottom-up fabrication of atomically precise graphene nanoribbons on Au(111) using first-principles calculations based on the density functional theory. We show that the structure of precursor molecules plays a decisive role in the C-C coupling reaction. The reaction energy of the dimerization of anthracene dimers is a larger negative value than that of the dimerization of anthracene monomers, suggesting that the precursor molecule used in experiments has a favorable structure for graphene nanoribbon fabrication.

  1. All-strain based valley filter in graphene nanoribbons using snake states

    Science.gov (United States)

    Cavalcante, L. S.; Chaves, A.; da Costa, D. R.; Farias, G. A.; Peeters, F. M.

    2016-08-01

    A pseudomagnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudomagnetic fields point towards opposite directions in the K and K' valleys, leading to valley polarized snake states. In a graphene nanoribbon with armchair edges this effect results in a valley filter that is based only on strain engineering. We discuss how to maximize this valley filtering by adjusting the parameters that define the stress distribution along the graphene ribbon.

  2. Systematic study of the transport gap and localization in graphene nanoribbons of varying lengths

    Science.gov (United States)

    Gallagher, Patrick; Todd, Kathryn; Goldhaber-Gordon, David

    2009-03-01

    Recent studies of very short graphene nanoconstrictionsootnotetextPonomarenko, L. A.; Schedin, F.; Katsnelson, M. I.; Yang, R.; Hill, E. W.; Novoselov, K. S.; Geim, A. K. Science 2008, 320, 356-358. have found that short constrictions lack the large transport gap displayed by longer nanoribbons, implying that localization behavior plays a critical role in the transport gap. We present transport measurements on graphene nanoribbons of constant width and varying length and report on gap characteristics and Coulomb blockade behavior. We discuss the relevant theoretical models and compare their predictions to our data.

  3. Thermoelectric transport and spin density of graphene nanoribbons with Rashba spin-orbit interaction

    Science.gov (United States)

    Cheng, Xinjun; Sun, Guo-Ya

    2017-03-01

    In the present paper, we have theoretically investigated thermoelectric transport properties of armchair and zigzag graphene nanoribbons with Rashba spin-orbit interaction, as well as dephasing scattering processes by applying the nonequilibrium Green function method. Behaviors of electronic and thermal currents, as well as thermoelectric coefficients are studied. It is found that both electronic and thermal currents decrease, and thermoelectric properties been suppressed, with increasing strength of Rashba spin-orbit interaction. We have also studied spin split and spin density induced by Rashba spin-orbit interaction in the graphene nanoribbons.

  4. Strain engineering for mechanical properties in graphene nanoribbons revisited: The warping edge effect

    Science.gov (United States)

    Jiang, Jin-Wu

    2016-06-01

    We investigate the strain engineering and the edge effect for mechanical properties in graphene nanoribbons. The free edges of the graphene nanoribbons are warped due to compressive edge stresses. There is a structural transformation for the free edges from the three-dimensional warping configuration to the two-dimensional planar structure at the critical strain ɛc = 0.7%, at which the applied mechanical stress is equal to the intrinsic compressive edge stress. This structural transformation leads to step-like changes in several mechanical properties studied in the present work, including the Young's modulus, the Poisson's ratio, the quality factor of nanomechanical resonators, and the phonon edge mode.

  5. Semiconducting graphene nanoribbon retains band gap on amorphous or crystalline SiO_2

    OpenAIRE

    Hossain, M. Zubaer

    2011-01-01

    Electronic properties of a semiconducting armchair graphene nanoribbon on SiO_2 are examined using first-principles calculations and taking into account the van der Waals interaction. Unlike semiconducting carbon nanotubes, which exhibit variations in band gap on SiO_2, the nanoribbon is found to retain its band gap on SiO_2, regardless of the separation distance or the dielectric’s surface type—crystalline or amorphous. The interfacial interaction leads to electron-transfer from the nanor...

  6. Microscopic dielectric permittivities of graphene nanoribbons and graphene

    Science.gov (United States)

    Fang, Jingtian; Vandenberghe, William G.; Fischetti, Massimo V.

    2016-07-01

    We derive a microscopic Poisson equation using the density-density response function. This equation is valid for any realistic potential perturbation and permits the study of dielectric response in nanostructures, especially in one-dimensional nanostructures and quantum dots. We apply this equation to simulate a nanoscale parallel-plate capacitor (nanocapacitor) with graphene as dielectric and two nanocapacitors with a graphene nanoribbon (GNR) as dielectric. The density-density response function is calculated using first-order perturbation theory and empirical pseudopotentials. From the microscopic electric field of the graphene nanocapacitor, we calculate the out-of-plane microscopic dielectric constant of graphene and from the electric field of GNR nanocapacitors, we calculate the full microscopic dielectric tensor of several GNRs with different widths. We find that the out-of-plane microscopic dielectric constants of GNRs and graphene do not depend on their energy band gap. We also study the effect of a surrounding dielectric on the dielectric permittivity of graphene and we conclude that the surrounding dielectric barely affects the dielectric permittivity of graphene.

  7. Simulation Study on Quantum Capacitances of Graphene Nanoribbon VLSI Interconnects

    Science.gov (United States)

    Dutta, Arin; Rahman, Silvia; Nandy, Turja; Mahmood, Zahid Hasan

    2016-03-01

    In this paper, study on the capacitive effects of Graphene nanoribbon (GNR) in VLSI interconnect has been studied as a function of GNR width, Fermi function and gate voltage. The quantum capacitance of GNR has been simulated in terms of Fermi function for three different values of insulator thickness — 1.5nm, 2nm and 2.5nm. After that, quantum capacitance is studied in both degenerate and nondegenerate region with respect to Fermi function and gate voltage of range 1-5V. Then, the total capacitance of GNR is studied as a function of gate voltage of -2-5V range at degenerate and nondegenerate regions, where width of GNR is considered 4nm. Finally, the total capacitance of GNR is studied in both regions with varying GNR width, considering fixed gate voltage of 3V. After analyzing these simulations, it has been found that GNR in degenerate region shows nearly steady capacitance under a certain applied gate voltage.

  8. Homochiral polymerization-driven selective growth of graphene nanoribbons

    Science.gov (United States)

    Sakaguchi, Hiroshi; Song, Shaotang; Kojima, Takahiro; Nakae, Takahiro

    2017-01-01

    The surface-assisted bottom-up fabrication of graphene nanoribbons (GNRs), which consists of the radical polymerization of precursors followed by dehydrogenation, has attracted attention because of the method's ability to control the edges and widths of the resulting ribbon. Although these reactions on a metal surface are believed to be catalytic, the mechanism has remained unknown. Here, we demonstrate 'conformation-controlled surface catalysis': the two-zone chemical vapour deposition of a 'Z-bar-linkage' precursor, which represents two terphenyl units linked in a 'Z' shape, results in the efficient formation of acene-type GNRs with a width of 1.45 nm through optimized cascade reactions. These precursors exhibit flexibility that allows them to adopt chiral conformations with height asymmetry on a Au(111) surface, which enables the production of self-assembled homochiral polymers in a chain with a planar conformation, followed by dehydrogenation via a conformation-controlled mechanism. This is conceptually analogous to enzymatic catalysis and will be useful for the fabrication of new nanocarbon materials.

  9. Phonon transport in single-layer boron nanoribbons

    Science.gov (United States)

    Zhang, Zhongwei; Xie, Yuee; Peng, Qing; Chen, Yuanping

    2016-11-01

    Inspired by the successful synthesis of three two-dimensional (2D) allotropes, the boron sheet has recently been one of the hottest 2D materials around. However, to date, phonon transport properties of these new materials are still unknown. By using the non-equilibrium Green’s function (NEGF) combined with the first principles method, we study ballistic phonon transport in three types of boron sheets; two of them correspond to the structures reported in the experiments, while the third one is a stable structure that has not been synthesized yet. At room temperature, the highest thermal conductance of the boron nanoribbons is comparable with that of graphene, while the lowest thermal conductance is less than half of graphene’s. Compared with graphene, the three boron sheets exhibit diverse anisotropic transport characteristics. With an analysis of phonon dispersion, bonding charge density, and simplified models of atomic chains, the mechanisms of the diverse phonon properties are discussed. Moreover, we find that many hybrid patterns based on the boron allotropes can be constructed naturally without doping, adsorption, and defects. This provides abundant nanostructures for thermal management and thermoelectric applications.

  10. Geometric, magnetic and electronic properties of folded graphene nanoribbons

    CERN Document Server

    Chang, Shen-Lin; Yang, Po-Hua; Lin, Ming-Fa

    2015-01-01

    Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge effects. For the zigzag FGNRs, the more stable structures are revealed to be AB stackings, while for the armchair types, AA" stackings are more stable. The interlayer interactions and hybridization of four orbitals lead to smaller energy gaps, anti-crossing bands, and more band-edge states. Specifically, the broken mirror symmetry in the odd-AB stacked zigzag FGNRs is responsible for the spin-up and spin-down splitting subbands. All FGNRs are direct-gap semiconductors except that the edge-edge interactions cause the even-AA stacked zigzag FGNRs to exhibit a pair of metallic linear bands. The width-dependent energy gaps in the armchair FGNRs can be classified into six groups. Furthermore, there exist rich features in density of states, including the form, number, intensity and ener...

  11. Boron Nitride Nanoribbons from Exfoliation of Boron Nitride Nanotubes

    Science.gov (United States)

    Hung, Ching-Cheh; Hurst, Janet; Santiago, Diana

    2017-01-01

    Two types of boron nitride nanotubes (BNNTs) were exfoliated into boron nitride nanoribbons (BNNR), which were identified using transmission electron microscopy: (1) commercial BNNTs with thin tube walls and small diameters. Tube unzipping was indicated by a large decrease of the sample's surface area and volume for pores less than 2 nm in diameter. (2) BNNTs with large diameters and thick walls synthesized at NASA Glenn Research Center. Here, tube unraveling was indicated by a large increase in external surface area and pore volume. For both, the exfoliation process was similar to the previous reported method to exfoliate commercial hexagonal boron nitride (hBN): Mixtures of BNNT, FeCl3, and NaF (or KF) were sequentially treated in 250 to 350 C nitrogen for intercalation, 500 to 750 C air for exfoliation, and finally HCl for purification. Property changes of the nanosized boron nitride throughout this process were also similar to the previously observed changes of commercial hBN during the exfoliation process: Both crystal structure (x-ray diffraction data) and chemical properties (Fourier-transform infrared spectroscopy data) of the original reactant changed after intercalation and exfoliation, but most (not all) of these changes revert back to those of the reactant once the final, purified products are obtained.

  12. Intrinsic half metallicity in lithium terminated zigzag graphene nanoribbons

    Science.gov (United States)

    Tyagi, Neha; Jaiswal, Neeraj K.; Sharma, Varun; Jha, Kamal K.; Srivastava, Pankaj

    2017-01-01

    Half-metallic materials are the prime requisite for future spintronic devices. In present work, the possibility of half-metallic characteristic has been investigated in Li terminated zigzag graphene nanoribbons (ZGNR) using density functional theory. Two different configurations: (i) both edges Li termination (Li-both edges) and (ii) one edge Li termination (Li-one edge), have been examined in the present study. The calculated binding energy (ranging from -3.19 eV to -4.96 eV) confirms that both the considered configurations are energetically viable to obtain. All the considered structures settled in antiferromagnetic ground state which is more stable than that of spin compensated state. Further, it is revealed that upto 100% spin polarization can be achieved (without application of any external electric field) in ZGNR with Li-one edge. Moreover, the observed half-metallicity is found to be independent of the ribbon width and therefore pledges for applications in novel spin filtering devices.

  13. Band Gap Tuning of Armchair Graphene Nanoribbons by Using Antidotes

    Science.gov (United States)

    Zoghi, Milad; Goharrizi, Arash Yazdanpanah; Saremi, Mehdi

    2017-01-01

    The electronic properties of armchair graphene nanoribbons (AGNRs) can be changed by creating antidotes within the pristine ribbons and producing antidote super lattice AGNRs (ASL-AGNRs). In the present work, band gap tuning of ASL-AGNRs is investigated by varying the width of ribbons ( d W) and the distance between antidotes ( d L) for five different antidote topologies. Numerical tight-binding model is applied to obtain the band structure of the ribbons. Based on our results, it is found that the band gap of ASL-AGNRs can be increased or decreased in different cases. Furthermore, changing the width of ribbons generally results in more predictable␣band gap profiles compared to the variation of distance between antidotes. Consequently, by opting appropriate antidote topologies and dimensional parameters ( d W and d L), it is possible to gain a desired band gap size. This can be considered as an alternative solution in design of electronic and optoelectronic devices where tunable band gap values are needed.

  14. A tunable electronic beam splitter realized with crossed graphene nanoribbons

    Science.gov (United States)

    Brandimarte, Pedro; Engelund, Mads; Papior, Nick; Garcia-Lekue, Aran; Frederiksen, Thomas; Sánchez-Portal, Daniel

    2017-03-01

    Graphene nanoribbons (GNRs) are promising components in future nanoelectronics due to the large mobility of graphene electrons and their tunable electronic band gap in combination with recent experimental developments of on-surface chemistry strategies for their growth. Here, we explore a prototype 4-terminal semiconducting device formed by two crossed armchair GNRs (AGNRs) using state-of-the-art first-principles transport methods. We analyze in detail the roles of intersection angle, stacking order, inter-GNR separation, GNR width, and finite voltages on the transport characteristics. Interestingly, when the AGNRs intersect at θ =60° , electrons injected from one terminal can be split into two outgoing waves with a tunable ratio around 50% and with almost negligible back-reflection. The split electron wave is found to propagate partly straight across the intersection region in one ribbon and partly in one direction of the other ribbon, i.e., in analogy with an optical beam splitter. Our simulations further identify realistic conditions for which this semiconducting device can act as a mechanically controllable electronic beam splitter with possible applications in carbon-based quantum electronic circuits and electron optics. We rationalize our findings with a simple model suggesting that electronic beam splitters can generally be realized with crossed GNRs.

  15. Evolution of graphene nanoribbons under low-voltage electron irradiation

    KAUST Repository

    Zhu, Wenpeng

    2012-01-01

    Though the all-semiconducting nature of ultrathin graphene nanoribbons (GNRs) has been demonstrated in field-effect transistors operated at room temperature with ∼105 on-off current ratios, the borderline for the potential of GNRs is still untouched. There remains a great challenge in fabricating even thinner GNRs with precise width, known edge configurations and specified crystallographic orientations. Unparalleled to other methods, low-voltage electron irradiation leads to a continuous reduction in width to a sub-nanometer range until the occurrence of structural instability. The underlying mechanisms have been investigated by the molecular dynamics method herein, combined with in situ aberration-corrected transmission electron microscopy and density functional theory calculations. The structural evolution reveals that the zigzag edges are dynamically more stable than the chiral ones. Preferential bond breaking induces atomic rings and dangling bonds as the initial defects. The defects grow, combine and reconstruct to complex edge structures. Dynamic recovery is enhanced by thermal activation, especially in cooperation with electron irradiation. Roughness develops under irradiation and reaches a plateau less than 1 nm for all edge configurations after longtime exposure. These features render low-voltage electron irradiation an attractive technique in the fabrication of ultrathin GNRs for exploring the ultimate electronic properties. © 2012 The Royal Society of Chemistry.

  16. Graphene oxide nanoribbons and their applications in supercapacitors

    Directory of Open Access Journals (Sweden)

    Mohammad Fathi

    2014-12-01

    Full Text Available We report the enhanced capacitance of the Multi-Walled Carbon NanoTubes (MWCNTs after a chemical unzipping process in concentrated sulfuric acid (H2SO4 and potassium permanganate (KMnO4. The effects of the test duration and temperature were investigated on the unzipping process of the MWCNTs to synthesize the graphene oxide nanoribbons. The SEM and TEM studies were carried out on untreated and unzipped MWCNTs samples to investigate the cutting and unzipping of the MWCNTs. The results confirmed that the efficient tube unzipping with improved effective surface area was obtained from the 1h treatment at 60°C, at which most of the tubes were opened without any tube annihilation. The graphite plate deposited with the untreated and unzipped MWCNTs samples was investigated by electrochemical studies. Cyclic voltammetry studies showed that the MWCNTs after 1h unzipping at 60°C had better electrochemical behavior than the other samples. Galvanostatic charging/discharging measurements were carried out on the untreated and unzipped MWCNTs samples. A remarkable specific capacitance of 33 Fg-1 was obtained for the unzipped MWCNTs at a current density of 1 Ag-1 in 0.5 M KCl solution compared with 8 Fg-1 for pristine MWCNTs, again confirming the enhanced effective surface area and increased defect density in the tube surfaces after the unzipping process. These results make the unzipped MWCNTs a promising electrode material for all energy storage applications.

  17. Nonlinear THz response of metallic armchair graphene nanoribbon superlattices

    Science.gov (United States)

    Wang, Yichao; Andersen, David R.

    2016-11-01

    We study the third order THz nonlinear response of metallic armchair graphene nanoribbon superlattices in the presence of an elliptically-polarized excitation field using the time dependent perturbation theory. For a one-dimensional Kronig-Penney potential of infinite length, the nonlinear response can be described perturbatively by a low energy \\mathbf{k}\\centerdot \\mathbf{p} N-photon coupling model. Remarkably, as shown by Burset et al the energy dispersion of the metallic band in the direction parallel to the superlattice wavevector is independent of the applied superlattice potential while the energy dispersion in the direction perpendicular to the superlattice wavevector depends strongly on the superlattice parameters. As a result, we predict novel behavior for the nonlinear response of single layer metallic acGNR superlattices to an applied elliptically-polarized electric field. Our work shows that the superlattice potential, periodicity, Fermi level, excitation field polarization state, and temperature all play a significant role in the resulting THz nonlinear conductances.

  18. Edge magnetization in Bernal-stacked trilayer zigzag graphene nanoribbons

    Science.gov (United States)

    Pérez, Juan Antonio Casao

    2016-06-01

    We have used a tight-binding Hamiltonian of an ABA-stacked trilayer zigzag graphene nanoribbon with β-alignment edges to study the edge magnetizations. Our model includes the effect of the intralayer next-nearest-neighbor hopping, the interlayer hopping responsible for the trigonal warping and the interaction between electrons, which is considered by a single band Hubbard model in the mean field approximation. Firstly, in the neutral system we analyzed the two magnetic states in which both edge magnetizations reach their maximum value; the first one is characterized by an intralayer ferromagnetic coupling between the magnetizations at opposite edges, whereas in the second state that coupling is antiferromagnetic. The band structure, the location of the edge-state bands and the local density of states resolved in spin are calculated in order to understand the origins of the edge magnetizations. We have also introduced an electron doping so that the number of electrons in the ribbon unit cell is higher than in neutral case. As a consequence, we have obtained magnetization steps and charge accumulation at the edges of the sample, which are caused by the edge-state flat bands.

  19. 石墨烯纳米带%Graphene Nanoribbons

    Institute of Scientific and Technical Information of China (English)

    郑小青; 冯苗; 詹红兵

    2012-01-01

    In recent years, an interesting class of quasi one dimensional graphene-based material, known as graphene nanoribbons (GNRs) , has attracted tremendous attention. Owing to the finite width and abundant edge geometries, GNRs present a lot of promising properties and applications, which are quite different from large-area graphene. In this paper we attempt to give an overview of their novel edge effect and the resulting electronic property, magnetic property, etc. We further present some typical preparation methods, defects types, doping, chemical modification and so on. We also provide an outlook of the applications of functional GNRs.%近年来,一种新型的准一维石墨烯基材料即石墨烯纳米带(graphene nanoribbons,GNRs)受到广泛关注,限域的宽度和丰富的边缘构型使其具有许多不同于二维结构大面积石墨烯的性质和应用。本文介绍了GNRs特殊的边缘效应以及由此产生的电学、磁学等特殊性质,在此基础上进一步介绍了GNRs典型的制备方法、缺陷种类、掺杂和化学改性等,并对功能化的GNRs的应用进行了展望。

  20. Nanowires and nanoribbons as subwavelength optical waveguides and their use as components in photonic circuits and devices

    Science.gov (United States)

    Yang, Peidong; Law, Matt; Sirbuly, Donald J.; Johnson, Justin C.; Saykally, Richard; Fan, Rong; Tao, Andrea

    2012-10-02

    Nanoribbons and nanowires having diameters less than the wavelength of light are used in the formation and operation of optical circuits and devices. Such nanostructures function as subwavelength optical waveguides which form a fundamental building block for optical integration. The extraordinary length, flexibility and strength of these structures enable their manipulation on surfaces, including the precise positioning and optical linking of nanoribbon/wire waveguides and other nanoribbon/wire elements to form optical networks and devices. In addition, such structures provide for waveguiding in liquids, enabling them to further be used in other applications such as optical probes and sensors.

  1. Nucleobase-functionalized grapheme nanoribbons for accurate high-speed DNA sequencing

    NARCIS (Netherlands)

    Paulechka, Eugene; Wassenaar, Tsjerk; Kroenlein, Kenneth; Kazakov, Andrei; Smolyanitsky, Alex

    2016-01-01

    We propose a water-immersed nucleobase-functionalized suspended graphene nanoribbon as an intrinsically selective device for nucleotide detection. The proposed sensing method combines Watson–Crick selective base pairing with graphene's capacity for converting anisotropic lattice strain to changes in

  2. Negative differential resistance and rectifying performance induced by doped graphene nanoribbons p–n device

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yuhong; Qiu, Nianxiang; Li, Runwei [Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China); Guo, Zhansheng [Shanghai Institute of Applied Mathematics and Mechanics, Shanghai 200072 (China); Zhang, Jian; Fang, Junfeng; Huang, Aisheng [Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China); He, Jian [Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Zha, Xianhu; Luo, Kan; Yin, Jingshuo; Li, Qiuwu; Bai, Xiaojing; Huang, Qing [Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China); Du, Shiyu, E-mail: dushiyu@nimte.ac.cn [Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China)

    2016-03-06

    Employing nonequilibrium Green's Functions in combination with density functional theory, the electronic transport properties of armchair graphene nanoribbon (GNR) devices with various widths are investigated in this work. In the adopted model, two semi-infinite graphene electrodes are periodically doped with boron or nitrogen atoms. Our calculations reveal that these devices have a striking nonlinear feature and show notable negative differential resistance (NDR). The results also indicate the diode-like properties are reserved and the rectification ratios are high. It is found the electronic transport properties are strongly dependent on the width of doped nanoribbons and the positions of dopants and three distinct families are elucidated for the current armchair GNR devices. The NDR as well as rectifying properties can be well explained by the variation of transmission spectra and the relative shift of discrete energy states with applied bias voltage. These findings suggest that the doped armchair GNR is a promising candidate for the next generation nanoscale device. - Highlights: • The negative differential resistance (NDR) and rectification phenomena have been observed for the B- and N-doping armchair graphene nanoribbon (GNR) devices. • The electronic transport properties are strongly dependent on the width of doped nanoribbons and exhibit three distinct families. • The NDR as well as rectifying properties can be well explained by the variation of transmission spectra and the relative shift of discrete energy states with applied bias voltage.

  3. Highly fluorescent peptide nanoribbon impregnated with Sn-porphyrin as a potent DNA sensor.

    Science.gov (United States)

    Parayil, Sreenivasan Koliyat; Lee, Jooran; Yoon, Minjoong

    2013-05-01

    Highly fluorescent and thermo-stable peptide nanoribbons (PNRs) were fabricated by solvothermal self-assembly of a single peptide (D,D-diphenyl alanine peptides) with Sn-porphyrin (trans-dihydroxo[5,10,15,20-tetrakis(p-tolyl)porphyrinato] Sn(IV) (SnTTP(OH)2)). The structural characterization of the as-prepared nanoribbons was performed by transmitting electron microscopy (TEM), scanning electron microscopy (SEM) and atomic force microscopy (AFM), FT-IR and Raman spectroscopy, indicating that the lipophilic Sn-porphyrins are impregnated into the porous surface formed in the process of nanoribbon formation through intermolecular hydrogen bonding of the peptide main chains. Consequently the Sn-porphyrin-impregnated peptide nanoribbons (Sn-porphyrin-PNRs) exhibited typical UV-visible absorption spectrum of the monomer porphyrin with a red shifted Q-band, and their fluorescence quantum yield was observed to be enhanced compared to that of free Sn-porphyrin. Interestingly the fluorescence intensity and lifetimes of Sn-porphyrin-PNRs were selectively affected upon interaction with nucleotide base sequences of DNA while those of free Sn-porphyrins were not affected by binding with any of the DNA studied, indicating that DNA-induced changes in the fluorescence properties of Sn-porphyrin-PNRs are due to interaction between DNA and the PNR scaffold. These results imply that Sn-porphyrin-PNR will be useful as a potent fluorescent protein analogue and as a biocompatible DNA sensor.

  4. Defect- and dopant-controlled carbon nanotubes fabricated by self-assembly of graphene nanoribbons

    Institute of Scientific and Technical Information of China (English)

    Cun Zhang and Shaohua Chen

    2015-01-01

    Molecular dynamics simulations showed that a basal carbon nanotube can activate and guide the fabrication of single-walled carbon nanotubes (CNTs) on its internal surface by self-assembly of edge-unpassivated graphene nanoribbons with defects. Furthermore, the distribution of defects on self-assembled CNTs is controllable. The system temperature and defect fraction are two main factors that influence the success of self-assembly. Due to possible joint flaws formed at the boundaries under a relatively high constant temperature, a technique based on increasing the temperature is adopted. Self-assembly is always successful for graphene nanoribbons with relatively small defect fractions, while it will fail in cases with relatively large ones. Similar to the self-assembly of graphene nanoribbons with defects, graphene nanoribbons with different types of dopants can also be self-assembled into carbon nanotubes. The finding provides a possible fabrication technique not only for carbon nanotubes with metallic or semi-con- ductive properties but also for carbon nanotubes with electromagnetic induction characteristics.

  5. Electronic structures of the F-terminated AlN nanoribbons

    Indian Academy of Sciences (India)

    Yu-Ling Song; Dao-Bang Lu; Ben-Liang Cui; Jian-Min Zhang

    2012-03-01

    Using the first-principles calculations, electronic properties for the F-terminated AlN nanoribbons with both zigzag and armchair edges are studied. The results show that both the zigzag and armchair AlN nanoribbons are semiconducting and nonmagnetic, and the indirect band gap of the zigzag AlN nanoribbons and the direct band gap of the armchair ones decrease monotonically with increasing ribbon width. In contrast, the F-terminated AlN nanoribbons have narrower band gaps than those of the H-terminated ones when the ribbons have the same bandwidth. The densityof-states (DOS) and local density-of-states (LDOS) analyses show that the top of the valence band for the F-terminated ribbons is mainly contributed by N atoms, while at the side of the conduction band, the total DOS is mainly contributed by Al atoms. The charge density contour analyses show that Al–F bond is ionic because the electronegativity of F atom is much stronger for F atom than for Al atom, while N–F bond is covalent because of the combined action of the stronger electronegativity and the smaller covalent radius.

  6. Graphene oxide nanoribbons greatly enhance extracellular electron transfer in bio-electrochemical systems.

    Science.gov (United States)

    Huang, Yu-Xi; Liu, Xian-Wei; Xie, Jia-Fang; Sheng, Guo-Ping; Wang, Guan-Yu; Zhang, Yuan-Yuan; Xu, An-Wu; Yu, Han-Qing

    2011-05-28

    Bridging microbes and electrode to facilitate the extracellular electron transfer (EET) is crucial for bio-electrochemical systems (BESs). Here, a significant enhancement of the EET process was achieved by biomimetically fabricating a network structure of graphene oxide nanoribbons (GONRs) on the electrode. This strategy is universal to enhance the adaptability of GONRs at the bio-nano interface to develop new bioelectronic devices.

  7. Magnetic Doping and Kondo Effect in Bi 2 Se 3 Nanoribbons

    KAUST Repository

    Cha, Judy J.

    2010-03-10

    A simple surface band structure and a large bulk band gap have allowed Bi2Se3 to become a reference material for the newly discovered three-dimensional topological insulators, which exhibit topologically protected conducting surface states that reside inside the bulk band gap. Studying topological insulators such as Bi2Se3 in nanostructures is advantageous because of the high surfaceto-volume ratio, which enhances effects from the surface states; recently reported Aharonov-Bohm oscillation in topological insulator nanoribbons by some of us is a good example. Theoretically, introducing magnetic impurities in topological insulators is predicted to open a small gap in the surface states by breaking time-reversal symmetry. Here, we present synthesis of magnetically doped Bi 2Se3 nanoribbons by vapor-liquid-solid growth using magnetic metal thin films as catalysts. Although the doping concentration is less than ∼2 %. low-temperature transport measurements of the Fe-doped Bi2Se3 nanoribbon devices show a clear Kondo effect at temperatures below 30 K, confirming the presence of magnetic impurities in the Bi2Se3 nanoribbons. The capability to dope topological insulator nanostructures magnetically opens up exciting opportunities for spintronics. © 2010 American Chemical Society.

  8. Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges

    Energy Technology Data Exchange (ETDEWEB)

    Sumpter, Bobby G [ORNL; Meunier, Vincent [ORNL; Terrones, M. [Universidad Carlos III, Madrid, Spain; Endo, M [Shinshu University; Munoz-Sandoval, Emilio [IPICyT; Kim, Y A [Shinshu University; Morelos-Bomez, Aaron [Shinshu University; Vega-Diaz, Sofia [Shinshu University

    2012-01-01

    We report a novel physicochemical route to produce highly crystalline nitrogen-doped graphene nanoribbons. The technique consists of an abrupt N2 gas expansion within the hollow core of nitrogen-doped multiwalled carbon nanotubes (CNx-MWNTs) when exposed to a fast thermal shock. The multiwalled nanotube unzipping mechanism is rationalized using molecular dynamics and density functional theory simulations, which highlight the importance of open-ended nanotubes in promoting the efficient introduction of N2 molecules by capillary action within tubes and surface defects, thus triggering an efficient and atomically smooth unzipping. The so-produced nanoribbons could be few-layered (from graphene bilayer onward) and could exhibit both crystalline zigzag and armchair edges. In contrast to methods developed previously, our technique presents various advantages: (1) the tubes are not heavily oxidized; (2) the method yields sharp atomic edges within the resulting nanoribbons; (3) the technique could be scaled up for the bulk production of crystalline nanoribbons from available MWNT sources; and (4) this route could eventually be used to unzip other types of carbon nanotubes or intercalated layered materials such as BN, MoS2, WS2, etc.

  9. Electronic structure of graphene nanoribbons doped with nitrogen atoms: a theoretical insight.

    Science.gov (United States)

    Torres, A E; Fomine, S

    2015-04-28

    The electronic structure of graphene nanoribbons doped with a graphitic type of nitrogen atoms has been studied using B3LYP, B2PLYP and CAS methods. In all but one case the restricted B3LYP solutions were unstable and the CAS calculations provided evidence for the multiconfigurational nature of the ground state with contributions from two dominant configurations. The relative stability of the doped nanoribbons depends mostly on the mutual position of the dopant atoms and notably less on the position of nitrogen atoms within the nanoribbon. N-graphitic doping affects cationic states much more than anionic ones due the participation of the nitrogen atoms in the stabilization of the positive charge, resulting in a drop in ionization energies (IPs) for N-graphitic doped systems. Nitrogen atoms do not participate in the negative charge stabilization of anionic species and, therefore, the doping does not affect the electron affinities (EAs). The unrestricted B3LYP method is the method of choice for the calculation of IPs and EAs. Restricted B3LYP and B2PLYP produces unreliable results for both IPs and EAs while CAS strongly underestimates the electron affinities. This is also true for the reorganization energies where restricted B3LYP produces qualitatively incorrect results. Doping changes the reorganization energy of the nanoribbons; the hole reorganization energy is generally higher than the corresponding electron reorganization energy due to the participation of nitrogen atoms in the stabilization of the positive charge.

  10. The electronic transport properties of graphene-like beryllium sulfide nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    An, Yipeng, E-mail: ypan@htu.edu.cn; Wang, Tianxing; Fu, Zhaoming; Chu, Xingli; Xu, Guoliang

    2015-09-11

    The electronic transport properties of zigzag beryllium sulfide nanoribbons (ZBeSNRs) are investigated by first-principles calculations. The results indicate that the electrons flow mainly through the two edges of ZBeSNRs. The electron transmission pathways are analyzed in detail. The ZBeSNRs show the remarkable negative differential resistance (NDR) properties, which are independent of the nanoribbon width due to their very similar band structures. The NDR behavior can be maintained by introducing a Be or S atom vacancy defect. The H-passivated ZBeSNR presents the interesting current-limited effect. The ZBeSNRs could be the promising candidates for the future nano devices, such as NDR devices. - Highlights: • The electronic transport properties of zigzag BeS nanoribbons (ZBeSNRs) are investigated. • The ZBeSNRs show the remarkable negative differential resistance (NDR) properties. • The electronic transport properties of ZBeSNRs are independent of the nanoribbon width. • The NDR behavior can be maintained by introducing a Be or S atom vacancy defect. • The H-passivated ZBeSNR presents the interesting current-limited effect.

  11. Anomalous length dependence of conductance of aromatic nanoribbons with amine anchoring groups

    KAUST Repository

    Bilić, Ante

    2012-09-06

    Two sets of aromatic nanoribbons, based around a common hexagonal scaffolding, with single and dual terminal amine groups have been considered as potential molecular wires in a junction formed by gold leads. Charge transport through the two-terminal device has been modeled using density functional theory (with and without self-interaction correction) and the nonequilibrium Green\\'s function method. The effects of wire length, multiple terminal contacts, and pathways across the junction have been investigated. For nanoribbons with the oligopyrene motif and conventional single amine terminal groups, an increase in the wire length causes an exponential drop in the conductance. In contrast, for the nanoribbons with the oligoperylene motif and dual amine anchoring groups the predicted conductance rises with the wire length over the whole range of investigated lengths. Only when the effects of self-interaction correction are taken into account, the conductance of the oligoperylene ribbons exhibits saturation for longer members of the series. The oligoperylene nanoribbons, with dual amine groups at both terminals, show the potential to fully harness the highly conjugated system of π molecular orbitals across the junction. © 2012 American Physical Society.

  12. Optical and electronic properties study of bottom-up graphene nanoribbons for photovoltaic applications

    Science.gov (United States)

    Villegas, Cesar E. P.; Rocha, Alexandre

    2015-03-01

    Graphene nanoribbons (GNRs), turn out to be serious contender for several optolectronic applications due to their physical properties. Recently, bottom-up methods, using the assembly of appropriate precursor molecules were shown to be an exciting pathway towards making precise nanoribbons. In particular, it has been demonstrated that so-called cove-shaped GNRs absorb light in the visible part of the spectrum, suggesting they could be used for photovoltaic applications. In solar cells, the key ingredient is the presence excitons and their subsequent diffusion along a donor material. This is influenced by the character of the different excitations taking place, as well as, the exciton binding energy. Thus, In this work we use many-body corrected density functional theory to simulate the optical properties of these nanoribbons. We elucidate the most important transitions occurring in these systems, and identify types of excitatiions that have not been previously observed in conventional nanoribbons. We also find that the exciton binding energies for all the structures we considered are in the eV range, which enhances the diffusion lengths for the particle-hole pairs. Finally, we estimate the potencial of these systems as solar cells by calculating the short-circuit current. The Authors thank FAPESP for financial support.

  13. First-principles calculations of graphene nanoribbons in gaseous environments: Structural and electronic properties

    DEFF Research Database (Denmark)

    Vanin, Marco; Gath, Jesper; Thygesen, Kristian Sommer

    2010-01-01

    The stability of graphene nanoribbons in the presence of typical atmospheric molecules is systematically investigated by means of density-functional theory. We calculate the edge formation free energy of five different edge configurations passivated by H, H-2, O, O-2, N-2, CO, CO2, and H2O, respe...

  14. Densely Aligned Graphene Nanoribbon Arrays and Bandgap Engineering

    Energy Technology Data Exchange (ETDEWEB)

    Su, Justin [Stanford Univ., CA (United States); Chen, Changxin [Stanford Univ., CA (United States); Gong, Ming [Stanford Univ., CA (United States); Kenney, Michael [Stanford Univ., CA (United States)

    2017-01-04

    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 edges 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 strain for

  15. Acute mechano-electronic responses in twisted phosphorene nanoribbons

    Science.gov (United States)

    Jang, Woosun; Kang, Kisung; Soon, Aloysius

    2016-08-01

    Many different forms of mechanical and structural deformations have been employed to alter the electronic structure of various modern two-dimensional (2D) nanomaterials. Given the recent interest in the new class of 2D nanomaterials - phosphorene, here we investigate how the rotational strain-dependent electronic properties of low-dimensional phosphorene may be exploited for technological gain. Here, using first-principles density-functional theory, we investigate the mechanical stability of twisted one-dimensional phosphorene nanoribbons (TPNR) by measuring their critical twist angle (θc) and shear modulus as a function of the applied mechanical torque. We find a strong anisotropic, chirality-dependent mechano-electronic response in the hydrogen-passivated TPNRs upon vortical deformation, resulting in a striking difference in the change in the carrier effective mass as a function of torque angle (and thus, the corresponding change in carrier mobility) between the zigzag and armchair directions in these TPNRs. The accompanied tunable band-gap energies for the hydrogen-passivated zigzag TPNRs may then be exploited for various key opto-electronic nanodevices.Many different forms of mechanical and structural deformations have been employed to alter the electronic structure of various modern two-dimensional (2D) nanomaterials. Given the recent interest in the new class of 2D nanomaterials - phosphorene, here we investigate how the rotational strain-dependent electronic properties of low-dimensional phosphorene may be exploited for technological gain. Here, using first-principles density-functional theory, we investigate the mechanical stability of twisted one-dimensional phosphorene nanoribbons (TPNR) by measuring their critical twist angle (θc) and shear modulus as a function of the applied mechanical torque. We find a strong anisotropic, chirality-dependent mechano-electronic response in the hydrogen-passivated TPNRs upon vortical deformation, resulting in a

  16. Simulation of 50-nm Gate Graphene Nanoribbon Transistors

    Directory of Open Access Journals (Sweden)

    Cedric Nanmeni Bondja

    2016-01-01

    Full Text Available An approach to simulate the steady-state and small-signal behavior of GNR MOSFETs (graphene nanoribbon metal-semiconductor-oxide field-effect transistor is presented. GNR material parameters and a method to account for the density of states of one-dimensional systems like GNRs are implemented in a commercial device simulator. This modified tool is used to calculate the current-voltage characteristics as well the cutoff frequency fT and the maximum frequency of oscillation fmax of GNR MOSFETs. Exemplarily, we consider 50-nm gate GNR MOSFETs with N = 7 armchair GNR channels and examine two transistor configurations. The first configuration is a simplified MOSFET structure with a single GNR channel as usually studied by other groups. Furthermore, and for the first time in the literature, we study in detail a transistor structure with multiple parallel GNR channels and interribbon gates. It is shown that the calculated fT of GNR MOSFETs is significantly lower than that of GFETs (FET with gapless large-area graphene channel with comparable gate length due to the mobility degradation in GNRs. On the other hand, GNR MOSFETs show much higher fmax compared to experimental GFETs due the semiconducting nature of the GNR channels and the resulting better saturation of the drain current. Finally, it is shown that the gate control in FETs with multiple parallel GNR channels is improved while the cutoff frequency is degraded compared to single-channel GNR MOSFETs due to parasitic capacitances of the interribbon gates.

  17. Investigating the Mobility of Trilayer Graphene Nanoribbon in Nanoscale FETs

    Science.gov (United States)

    Rahmani, Meisam; Ghafoori Fard, Hassan; Ahmadi, Mohammad Taghi; Rahbarpour, Saeideh; Habibiyan, Hamidreza; Varmazyari, Vali; Rahmani, Komeil

    2017-10-01

    The aim of the present paper is to investigate the scaling behaviors of charge carrier mobility as one of the most remarkable characteristics for modeling of nanoscale field-effect transistors (FETs). Many research groups in academia and industry are contributing to the model development and experimental identification of multi-layer graphene FET-based devices. The approach in the present work is to provide an analytical model for carrier mobility of tri-layer graphene nanoribbon (TGN) FET. In order to do so, one starts by identifying the analytical modeling of TGN carrier velocity and ballistic conductance. At the end, a model of charge carrier mobility with numerical solution is analytically derived for TGN FET, in which the carrier concentration, temperature and channel length characteristics dependence are highlighted. Moreover, variation of band gap and gate voltage during the proposed device operation and its effect on carrier mobility is investigated. To evaluate the nanoscale FET performance, the carrier mobility model is also adopted to obtain the I-V characteristics of the device. In order to verify the accuracy of the proposed analytical model for TGN mobility, it is compared to the existing experimental data, and a satisfactory agreement is reported for analogous ambient conditions. Moreover, the proposed model is compared with the published data of single-layer graphene and bi-layer graphene, in which the obtained results demonstrate significant insights into the importance of charge carrier mobility impact in high-performance TGN FET. The work presented here is one step towards an applicable model for real-world nanoscale FETs.

  18. Graphene Oxide Nanoribbons Induce Autophagic Vacuoles in Neuroblastoma Cell Lines

    Directory of Open Access Journals (Sweden)

    Emanuela Mari

    2016-11-01

    Full Text Available Since graphene nanoparticles are attracting increasing interest in relation to medical applications, it is important to understand their potential effects on humans. In the present study, we prepared graphene oxide (GO nanoribbons by oxidative unzipping of single-wall carbon nanotubes (SWCNTs and analyzed their toxicity in two human neuroblastoma cell lines. Neuroblastoma is the most common solid neoplasia in children. The hallmark of these tumors is the high number of different clinical variables, ranging from highly metastatic, rapid progression and resistance to therapy to spontaneous regression or change into benign ganglioneuromas. Patients with neuroblastoma are grouped into different risk groups that are characterized by different prognosis and different clinical behavior. Relapse and mortality in high risk patients is very high in spite of new advances in chemotherapy. Cell lines, obtained from neuroblastomas have different genotypic and phenotypic features. The cell lines SK-N-BE(2 and SH-SY5Y have different genetic mutations and tumorigenicity. Cells were exposed to low doses of GO for different times in order to investigate whether GO was a good vehicle for biological molecules delivering individualized therapy. Cytotoxicity in both cell lines was studied by measuring cellular oxidative stress (ROS, mitochondria membrane potential, expression of lysosomial proteins and cell growth. GO uptake and cytoplasmic distribution of particles were studied by Transmission Electron Microscopy (TEM for up to 72 h. The results show that GO at low concentrations increased ROS production and induced autophagy in both neuroblastoma cell lines within a few hours of exposure, events that, however, are not followed by growth arrest or death. For this reason, we suggest that the GO nanoparticle can be used for therapeutic delivery to the brain tissue with minimal effects on healthy cells.

  19. Electronic Properties of Bilayer Zigzag Graphene Nanoribbons: First Principles Study

    Institute of Scientific and Technical Information of China (English)

    OUYANG Fang-Ping; CHEN Li-Jian; XIAO Jin; ZHANG Hua

    2011-01-01

    @@ Based on the density functional theory, we calculate the dependence of the band structures of bilaver ziezaff-edzed grapnene nanonooons(BZGNRs) upon ribbon width, interlayer distance and stacking styles.Unlike monolayer zigzag GNR, whose energy gap is always zero under different ribbon widths, the gap of BZGNR varies greathy with the ribbon width or the interlayer distance.The greatest gaps for AA-stacking and AB-stacking BZGNRs are about 0.22eV and 0.12eV, respectively, which implies that gap-tuning of AA-BZGNRs is more effective than that of AB-BZGNRs.These results present a way to tune the band structures of BZGNRs and also provide theoretical guidance for the fabrication of GNR-based piezoelectric devices.%Based on the density functional theory, we calculate the dependence of the band structures of bilayer zigzag-edged graphene nanoribbons (BZGNRs) upon ribbon width, interlayer distance and stacking styles. Unlike monolayer zigzag GNR, whose energy gap is always zero under different ribbon widths, the gap of BZGNR varies greatly with the ribbon width or the interlayer distance. The greatest gaps for AA-stacking and AR-stacking BZGNRs are about 0.22 eV and O.12eV, respectively, which implies that gap-tuning of AA-BZGNRs is more effective than that of AB-BZGNRs. These results present a way to tune the band structures of BZGNRs and also provide theoretical guidance for the fabrication of GNR-based piezoelectric devices.

  20. Synthesis of doped graphene nanoribbons from molecular and polymeric precursors

    Science.gov (United States)

    Cloke, Ryan Randal

    As electronic devices continue to shrink and energy problems continue to grow, nanoscale materials are becoming increasingly important. Graphene is a material with exceptional promise to complement silicon in next-generation electronics because of its extraordinary charge carrier mobility, while also finding a role in cutting-edge energy solutions due to its high surface area and conductivity. Improving on this material even further by reducing the width of graphene to nanoscale dimensions with atomically-precise dopant patterns is the subject of this thesis. Nanometer-wide strips of graphene, known as graphene nanoribbons (GNRs), offer the advantages of semiconducting behavior, combined with more accessible surface area compared to bulk graphene (Chapter 1). Additionally, it is demonstrated that GNRs can be doped with atomic precision, allowing for intricate modulation of the electronic properties of this material, which was studied by STM, STS, and nc-AFM (Chapter 2). Controlled growth of GNRs on surfaces is still an outstanding challenge within the field, and to this end, a variety of porphyrin-GNR template materials were synthesized (Chapter 3). The GNRs obtained in this work were also synthesized in solution, and it was shown that these materials possess excellent properties for applications in hydrogen storage, carbon dioxide reduction, and Li-ion batteries (Chapter 4). A prerequisite for solution-synthesized GNRs, conjugated aromatic polymers are an important class of materials in their own right. Therefore, Ring-Opening Alkyne Metathesis Polymerization was developed using conjugated, strained diynes (Chapter 5). The resulting conjugated polymers were explored both for their own materials properties due to a remarkable self-assembly process that was discovered, and also as precursors to GNRs (Chapter 6). This work advances the fundamental understanding of carbon-based nanostructures, as well as the large-scale production of GNRs for next-generation energy

  1. Zinc oxide nanoring embedded lacey graphene nanoribbons in symmetric/asymmetric electrochemical capacitive energy storage

    Science.gov (United States)

    Sahu, Vikrant; Goel, Shubhra; Sharma, Raj Kishore; Singh, Gurmeet

    2015-12-01

    This article describes the synthesis and characterization of ZnO nanoring embedded graphene nanoribbons. Patterned holes (mesopore dia.) in graphene nanoribbons are chemically generated, leading to a high density of the edge planes. These planes carry negatively charged surface groups (like -COOH and -OH) and therefore anchor the metal ions in a cordial fashion forming a string of metal ions along the edge planes. These strings of imbibed metal ions precipitate as tiny ZnO nanorings over lacey graphene nanoribbons. The thus obtained graphene nanoribbon (GNR) based hierarchical ZnO mesoporous structures are three dimensionally accessible to the electrolyte and demonstrate high performance in capacitive energy storage. The ZnO/GNR nanocomposite electrode in an asymmetric supercapacitor device with lacey reduced graphene oxide nanoribbons (LRGONRs) as a negative electrode exhibits a 2.0 V potential window in the aqueous electrolyte and an ultra-short time constant (0.08 s). The wide potential window consequently increased the energy density from 6.8 Wh kg-1 (ZnO/GNR symmetric) to 9.4 Wh kg-1 (ZnO/GNR||LRGONR asymmetric). The relaxation time constant obtained for the asymmetric supercapacitor device was three orders of magnitude less compared to the ZnO (symmetric, 33 s) supercapacitor device. The high cycling stability of ZnO/GNR||LRGONR up to 96.7% capacitance retention, after 5000 GCD cycles at 2 mA cm-2, paves the way to a high performance aqueous electrochemical supercapacitive energy storage.This article describes the synthesis and characterization of ZnO nanoring embedded graphene nanoribbons. Patterned holes (mesopore dia.) in graphene nanoribbons are chemically generated, leading to a high density of the edge planes. These planes carry negatively charged surface groups (like -COOH and -OH) and therefore anchor the metal ions in a cordial fashion forming a string of metal ions along the edge planes. These strings of imbibed metal ions precipitate as tiny Zn

  2. Transformation of hydrogen titanate nanoribbons to TiO2 nanoribbons and the influence of the transformation strategies on the photocatalytic performance

    Directory of Open Access Journals (Sweden)

    Melita Rutar

    2015-03-01

    Full Text Available The influence of the reaction conditions during the transformation of hydrogen titanate nanoribbons to TiO2 nanoribbons on the phase composition, the morphology, the appearance of the nanoribbon surfaces and their optical properties was investigated. The transformations were performed (i through a heat treatment in oxidative and reductive atmospheres in the temperature range of 400–650 °C, (ii through a hydrothermal treatment in neutral and basic environments at 160 °C, and (iii through a microwave-assisted hydrothermal treatment in a neutral environment at 200 °C. Scanning electron microscopy investigations showed that the hydrothermal processing significantly affected the nanoribbon surfaces, which became rougher, while the transformations based on calcination in either oxidative or reductive atmospheres had no effect on the morphology or on the surface appearance of the nanoribbons. The transformations performed in the reductive atmosphere, an NH3(g/Ar(g flow, and in the ammonia solution led to nitrogen doping. The nitrogen content increased with an increasing calcination temperature, as was determined by X-ray photoelectron spectroscopy. According to electron paramagnetic resonance measurements the calcination in the reductive atmosphere also resulted in a partial reduction of Ti4+ to Ti3+. The photocatalytic performance of the derived TiO2 NRs was estimated on the basis of the photocatalytic oxidation of isopropanol. After calcinating in air, the photocatalytic performance of the investigated TiO2 NRs increased with an increased content of anatase. In contrast, the photocatalytic performance of the N-doped TiO2 NRs showed no dependence on the calcination temperature. An additional comparison showed that the N-doping significantly suppressed the photocatalytic performance of the TiO2 NRs, i.e., by 3 to almost 10 times, in comparison with the TiO2 NRs derived by calcination in air. On the other hand, the photocatalytic performance of the

  3. Temperature-controlled colossal magnetoresistance and perfect spin Seebeck effect in hybrid graphene/boron nitride nanoribbons.

    Science.gov (United States)

    Zhu, Lin; Li, Ruimin; Yao, Kailun

    2017-02-01

    Thermal spin transport properties of graphene and hexagonal boron nitride nanoribbon heterojunctions have been investigated using density functional theory calculations combined with the Keldysh nonequilibrium Green's function approach. The results showed that the perfect spin Seebeck effect and analogy negative differential thermoelectric resistance occurred in the device under a temperature difference without a gate or bias voltage. An intriguing thermally induced colossal magnetoresistance without gate regulation was also observed, which can be switched between a positive and negative value with temperature control. It was also found that the unit number of zigzag graphene nanoribbons and boron nitride nanoribbons can tune the electronic band structure and the energy gap of the heterostructure, and then modulate the thermal spin transport properties. The results suggest that graphene and hexagonal boron nitride nanoribbon heterostructures may have potential applications in graphene-based nanodevices.

  4. Effect of post heat treatment on microstructure and photocatalytic activities of TiO{sub 2} nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Zhu Lin [Institute of Materials Science and Engineering, Ocean University of China, Songling Road 238, Qingdao 266100, Shandong Province (China); Cao Lixin, E-mail: caolixin@mail.ouc.edu.cn [Institute of Materials Science and Engineering, Ocean University of China, Songling Road 238, Qingdao 266100, Shandong Province (China); Su Ge; Liu Wei; Song Liang; Liu Hui; Dong Bohua [Institute of Materials Science and Engineering, Ocean University of China, Songling Road 238, Qingdao 266100, Shandong Province (China)

    2011-07-01

    Low-dimensional TiO{sub 2} nanoribbons were synthesized by a simple one-step hydrothermal method. The TiO{sub 2} nanoribbons were calcined over the temperature range 200-800 deg. C in order to enhance their photocatalytic properties by altering their crystal phase and increasing crystallization. Effects of hydrothermal temperature, calcinated temperature and calcination time on the formation of nanostructures have been observed and characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The (BET) specific surface area of the samples which with different post treatments were determined by N{sub 2} absorption-desorption experiment. In addition, photocatalytic activities of the nanoribbons were evaluated by photodegradation of organic dyes methyl orange under the radiation of UV light. The results reveal that the post-treatments have great effects on the microstructures and the photocatalytic activities of TiO{sub 2} nanoribbons.

  5. L-Cystine-assisted growth of Sb{sub 2}S{sub 3} nanoribbons via solvothermal route

    Energy Technology Data Exchange (ETDEWEB)

    Yang Xinyu; Zhong Jiasong; Liu Lijun; Linag Xiaojuan; Liu Haitao [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, 325035 (China); Xiang Weidong, E-mail: weidongxiang@yahoo.com.cn [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, 325035 (China)

    2009-12-15

    L-Cystine was successfully used as a novel kind of sulfur source to grow Sb{sub 2}S{sub 3} nanoribbons at 180 deg. C for 24 h in a mixed solution made of ethylene glycol and distilled water. The nanoribbons were usually tens of micronmeters in length, typically 100-300 nm in width. The structure of the nanoribbons was determined to be of the orthorhombic phase. A reasonable possible mechanism for the growth of Sb{sub 2}S{sub 3} nanoribbon structures has been proposed. The as-obtained Sb{sub 2}S{sub 3} products were examined using diverse techniques including X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), selected-area electron diffraction, and high-resolution TEM.

  6. Characterization of Chiral Carbonaceous Nanotubes Prepared from Four Coiled Tubular 4,4'-biphenylene-silica Nanoribbons

    Directory of Open Access Journals (Sweden)

    Shuwei Lin

    2014-04-01

    Full Text Available Four dipeptides derived from phenylalanine were synthesized, which can self-assemble into twisted nanoribbon in deionized water. The handedness of the organic self-assemblies was controlled by the chirality of the phenylalanine at the terminals. Coiled 4,4'-biphenylene bridged polybissilsesquioxane tubular nanoribbons were prepared using the organic self-assemblies as the templates. The circular dichroism spectra indicated that the biphenylene rings preferred to twist in one-handedness within the walls of the samples. After carbonization and removal of silica, single-handed coiled carbonaceous tubular nanoribbons were obtained. The Raman spectra indicated that the carbon was amorphous. The diffuse reflectance circular dichroism spectra indicated the tubular carbonaceous nanoribbons exhibited optical activity.

  7. Atomically Precise Bottom-up Fabrication of Graphene Nanoribbons

    Science.gov (United States)

    Cai, Jinming

    2011-03-01

    Graphene nanoribbons (GNRs) -- narrow stripes of graphene -- are predicted to exhibit remarkable properties making them suitable for future electronic applications. Contrary to their two-dimensional (2D) parent material graphene, which exhibits semimetallic behavior, GNRs with widths smaller than 10 nm are predicted to be semiconductors due to quantum confinement and edge effects. Despite significant advances in GNR fabrication using chemical, sonochemical and lithographic methods as well as recent reports on the successful unzipping of carbon nanotubes into GNRs, the production of sub-10 nm GNRs with chemical precision remains a major challenge. In this talk, we will present a simple GNR fabrication method that allows for the production of atomically precise GNRs of different topologies and widths. Our bottom-up approach consists in the surface-assisted coupling of suitably designed molecular precursors into linear polyphenylenes and their subsequent cyclodehydrogenation, and results in GNRs whose topology, width and edge periphery are defined by the precursor monomers. By means of STM and Raman characterization, we demonstrate that this fabrication process allows for the atomically precise fabrication of complex GNR topologies. Furthermore, we have developed a reliable procedure to transfer GNRs fabricated on metal surfaces onto other substrates. It will for example be shown that millimeter sized sheets of crosslinked GNRs can be transferred onto silicon wafers, making them available for further processing, e.g. by lithography, prototype device fabrication and characterization. Coauthors: Pascal Ruffieux, Rached Jaafar, Marco Bieri, Thomas Braun, and Stephan Blankenburg, Empa, Swiss Federal Laboratories for Materials Science and Technology, 3602 Thun and 8600 Dübendorf, Switzerland; Matthias Muoth, ETH Zurich, Department of Mechanical and Process Engineering, 8092 Zurich, Switzerland; Ari P. Seitsonen, University of Zurich, Physical Chemistry Institute, 8057

  8. Multifunctional nitrogen-doped graphene nanoribbon aerogels for superior lithium storage and cell culture

    Science.gov (United States)

    Liu, Yang; Wang, Xuzhen; Wan, Wubo; Li, Lingli; Dong, Yanfeng; Zhao, Zongbin; Qiu, Jieshan

    2016-01-01

    Nitrogen-doped graphene nanoribbon aerogels (N-GNRAs) are fabricated through the self-assembly of graphene oxide nanoribbons (GONRs) combined with a thermal annealing process. Amino-groups are grafted to the surface of graphene nanoribbons (GNRs) by an epoxy ring-opening reaction. High nitrogen doping level (7.6 atm% as confirmed by elemental analysis) is achieved during thermal treatment resulting from functionalization and the rich edge structures of GNRs. The three dimensional (3D) N-GNRAs feature a hierarchical porous structure. The quasi-one dimensional (1D) GNRs act as the building blocks for the construction of fishnet-like GNR sheets, which further create 3D frameworks with micrometer-scale pores. The edge effect of GNRs combined with nitrogen doping and porosity give rise to good electrical conductivity, superhydrophilic, highly compressible and low density GNRAs. As a result, a high capacity of 910 mA h g-1 is achieved at a current density of 0.5 A g-1 when they are tested as anode materials for lithium ion batteries. Further cell culture experiments with the GNRAs as human medulloblastoma DAOY cell scaffolds demonstrate their good biocompatibility, inferring potential applications in the biomedical field.Nitrogen-doped graphene nanoribbon aerogels (N-GNRAs) are fabricated through the self-assembly of graphene oxide nanoribbons (GONRs) combined with a thermal annealing process. Amino-groups are grafted to the surface of graphene nanoribbons (GNRs) by an epoxy ring-opening reaction. High nitrogen doping level (7.6 atm% as confirmed by elemental analysis) is achieved during thermal treatment resulting from functionalization and the rich edge structures of GNRs. The three dimensional (3D) N-GNRAs feature a hierarchical porous structure. The quasi-one dimensional (1D) GNRs act as the building blocks for the construction of fishnet-like GNR sheets, which further create 3D frameworks with micrometer-scale pores. The edge effect of GNRs combined with nitrogen

  9. Large spin-filtering effect in Ti-doped defective zigzag graphene nanoribbon.

    Science.gov (United States)

    Tawfik, Sherif Abdulkader; Cui, X Y; Ringer, S P; Stampfl, C

    2016-06-28

    Through first-principles calculations using the nonequilibrium Green's function formalism together with density functional theory, we study the conductance of double-vacancy zigzag graphene nanoribbons doped with four transition metal atoms Ti, V, Cr and Fe. We show that Ti doping induces large spin-filtering with an efficiency in excess of 90% for bias voltages below 0.5 V, while the other metal adatoms do not induce large spin filtering. This is despite the fact that the Ti dopant possesses small spin moment, while large moments reside on V, Cr and Fe dopants. Our analysis shows that the suppression of transmission in the spin-down channel in the Ti-doped graphene nanoribbon, thus the large spin filtering efficiency, is due to transmission anti-resonance arising from destructive quantum interference. These findings suggest that the decoration of graphene with titanium, and possibly other transition metals, can act as effective spin filters for nanospintronic applications.

  10. Role of interlayer spacing in electrical transport of bilayer graphene nanoribbon: Perpendicular and armchair direction

    Science.gov (United States)

    Jamaati, Maryam; Namiranian, Afshin

    2017-01-01

    The electrical conductance of bilayer zigzag graphene nanoribbon is numerically investigated taking advantage of Green's function. The calculations are performed within the tight binding model, which describes the interaction between carbon atoms within a layer via nearest neighbor and carbon atoms of different layers using continuum model. Our findings reveal sensitivity of the bilayer graphene conductance to changes in its relative displacement of two layers in perpendicular and armchair directions. We find that the conductance oscillates as a function of system width, and finally reduces rapidly as the relative distance of two layers becomes larger than half the system width. The results show that the conductance of the bilayer graphene could be tuned via displacement of two layers. Moreover, we obtain different results for conductance of narrow and wide bilayer nanoribbon.

  11. Field-modulated low-energy electronic and optical properties of armchair silicene nanoribbons

    Science.gov (United States)

    Shyu, Feng-Lin

    2017-01-01

    The tight-binding model including spin-orbit coupling is used to study electronic and optical properties of armchair silicene nanoribbons (ASiNRs) in electric fields. Perpendicular electric field monotonically increases band-gap, the DOS, and absorption frequency and strength. It does not change spin-degeneracy, edge-states, and optical selection rule. However, parallel electric field strongly modulates energy dispersions resulting in oscillatory band-gaps, shift in edge-states, and destruction of spin-degeneracy. It induces more transition channels and constructs new selection rules that exhibits richer optical spectra. Modulations of electronic and optical properties of ASiNRs have strong dependence on the direction of electric field and nanoribbon's geometry.

  12. Structural defects influence on the conductance of strained zigzag graphene nanoribbon

    Science.gov (United States)

    Soleimani, Maryam; Jalili, Seifollah; Mahfouzi, Farzad

    2017-09-01

    In this paper, we investigate the influence of point structural defects on the transport properties of zigzag graphene nanoribbons (ZGNRs) under uniaxial strain field, using the numerical studies based on the ab-initio calculation, the standard tight-binding model and Green's functions. The calculation results show that the direction of applied strain and defect type significantly affect the conductance properties of ZGNRs. The conductance of the defective nanoribbons generally decreases and some dips corresponding to complete electron backscattering is appeared. This behavior is originated from the different coupling between the conducting electronic states influenced by the wave function modification around the Fermi energy which depends on the defect type. We show that the presence of defects leads to a significant increase in local current. Furthermore, we have investigated the strain-tunable spin transport of defective ZGNRs in the presence of the exchange magnetic field and Rashba spin-orbit coupling (RSOC).

  13. Negative differential resistance and rectifying performance induced by doped graphene nanoribbons p-n device

    Science.gov (United States)

    Zhou, Yuhong; Qiu, Nianxiang; Li, Runwei; Guo, Zhansheng; Zhang, Jian; Fang, Junfeng; Huang, Aisheng; He, Jian; Zha, Xianhu; Luo, Kan; Yin, Jingshuo; Li, Qiuwu; Bai, Xiaojing; Huang, Qing; Du, Shiyu

    2016-03-01

    Employing nonequilibrium Green's Functions in combination with density functional theory, the electronic transport properties of armchair graphene nanoribbon (GNR) devices with various widths are investigated in this work. In the adopted model, two semi-infinite graphene electrodes are periodically doped with boron or nitrogen atoms. Our calculations reveal that these devices have a striking nonlinear feature and show notable negative differential resistance (NDR). The results also indicate the diode-like properties are reserved and the rectification ratios are high. It is found the electronic transport properties are strongly dependent on the width of doped nanoribbons and the positions of dopants and three distinct families are elucidated for the current armchair GNR devices. The NDR as well as rectifying properties can be well explained by the variation of transmission spectra and the relative shift of discrete energy states with applied bias voltage. These findings suggest that the doped armchair GNR is a promising candidate for the next generation nanoscale device.

  14. Band gap engineering of silicene zigzag nanoribbons with perpendicular electric fields: a theoretical study.

    Science.gov (United States)

    Liang, Yunye; Wang, Vei; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2012-11-14

    The electronic properties of silicene zigzag nanoribbons with the presence of perpendicular fields are studied by using first-principles calculations and the generalized nearest neighboring approximation method. In contrast to the planar graphene, in silicene the Si atoms are not coplanar. As a result, by applying perpendicular fields to the two-dimensional silicene sheet, the on-site energy can be modulated and the band gap at the Dirac point is open. The buckled structure also creates a height difference between the two edges of the silicene zigzag nanoribbons. We find that the external fields can modulate the energies of spin-polarized edge states and their corresponding band gaps. Due to the polarization in the plane, the modulation effect is width dependent and becomes much more significant for narrow ribbons.

  15. Hydrogenations and electric field induced magnetic behaviors in armchair silicene nanoribbons

    Science.gov (United States)

    Zhang, Dan; Long, Mengqiu; Xie, Fang; Ouyang, Jun; Xu, Hui; Gao, Yongli

    2016-01-01

    Using the first-principles calculations, we investigate the geometric, electronic and magnetic properties of armchair silicene nanoribbons with different edge hydrogenations. Our results show that the interesting magnetic behaviors such as the bipolar magnetic semiconductor can be found. Moreover, the addition of the transverse electric field can modulate the bipolar magnetic semiconductor to half-metal or spin-splitting metal. And the spin-up electrons are localized at one edge, the spin-down holes localized at the opposite edge under the external electric field. These results may present a new avenue for band engineering of silicene nanoribbons and benefit the design of silicon-based nano-spin-devices in nanoelectronics. PMID:27026136

  16. Energy gap of extended states in SiC-doped graphene nanoribbon: Ab initio calculations

    Science.gov (United States)

    Liu, Xiaoshi; Wu, Yong; Li, Zhongyao; Gao, Yong

    2017-04-01

    The energy gap of extended states in zigzag graphene nanoribbons (ZGNRs) was examined on the basis of density-functional theory. In isolated ZGNRs, the energy gap is inversely proportional to the width of ribbon. It agrees well with the results from the Dirac equation in spin-unpolarized ZGNRs, although the considered ZGNRs have spin-polarized edges. However, the energy gap in SiC-doped ZGNRs cannot be modeled by effective width approximation. The doping also lifts the spin-degenerate of edge states and results in a metallic-like band structure near the Fermi level in SiC-doped ZGNRs. Our calculations may be helpful for understanding the origin of the reported single-channel ballistic transport in epitaxial graphene nanoribbons.

  17. Disorder-driven insulator to semi-metallic transition in a graphene nanoribbon

    Science.gov (United States)

    Ziaei, J.; Behnia, S.; Molaeinasab, H.; Rahimi, F.

    2017-10-01

    We investigate the effects of disorder on the electron transport properties of graphene nanoribbons (GNs) with armchair edges described in tight-binding (TB) model. We try to compare the electronic properties of armchair graphene nanoribbons (AGNs) subjected to two types of disorder with different distributions. In this regard, the tight-binding model of electron transport in the presence of hopping to nearest and next-nearest neighbors is investigated. With the aid of the spectral and multifractal analyses, we find that for the case of ordered distribution of disorder the AGNs acts as an insulator and for disordered distribution AGN behaves as a semi-metal. Our results can report different regimes of conductivity and addresses the transition between semi-metallic and insulator phases.

  18. High-Temperature Stable Operation of Nanoribbon Field-Effect Transistors

    Directory of Open Access Journals (Sweden)

    Kim Sangsig

    2010-01-01

    Full Text Available Abstract We experimentally demonstrated that nanoribbon field-effect transistors can be used for stable high-temperature applications. The on-current level of the nanoribbon FETs decreases at elevated temperatures due to the degradation of the electron mobility. We propose two methods of compensating for the variation of the current level with the temperature in the range of 25–150°C, involving the application of a suitable (1 positive or (2 negative substrate bias. These two methods were compared by two-dimensional numerical simulations. Although both approaches show constant on-state current saturation characteristics over the proposed temperature range, the latter shows an improvement in the off-state control of up to five orders of magnitude (−5.2 × 10−6.

  19. Electronic states of zigzag graphene nanoribbons with edges reconstructed with topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Pincak, R., E-mail: pincak@saske.sk [Institute of Experimental Physics, Slovak Academy of Sciences, Watsonova 47, 043 53 Kosice (Slovakia); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation); Smotlacha, J., E-mail: smota@centrum.cz [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation); Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, Brehova 7, 110 00 Prague (Czech Republic); Osipov, V.A., E-mail: osipov@theor.jinr.ru [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation)

    2015-10-15

    The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone–Wales zz(57) edge the low-energy spectrum is markedly changed in comparison to the pristine zz edge. We found that the electronic DOS at the Fermi level is different from zero at any width of graphene nanoribbons. In contrast, for ribbons with heptagons only at one side and pentagons at another one the energy gap at the Fermi level is open and the DOS is equal to zero. The reason is the influence of uncompensated topological charges on the localized edge states, which are topological in nature. This behavior is similar to that found for the structured external electric potentials along the edges.

  20. Edge plasmons and cut-off behavior of graphene nano-ribbon waveguides

    Science.gov (United States)

    Hou, Haowen; Teng, Jinghua; Palacios, Tomás; Chua, Soojin

    2016-07-01

    Graphene nano-ribbon waveguides with ultra-short plasmon wavelength are a promising candidate for nanoscale photonic applications. Graphene edge plasmons are the fundamental and lowest losses mode. Through finite element method, edge plasmons show large effective refractive index and strong field confinement on nanoscale ribbons. The edge plasmons follow a k1/2 dispersion relation. The wavelengths of the edge plasmons and center plasmons differ by a fixed factor. The width of edge plasmon is inversely proportional to wave vector of edge plasmon kedge. Edge defects associate with graphene nano-ribbon induce extra losses and reduce the propagation length. Cut-off width of edge plasmons reduces with increasing frequency. Cut-off width of center plasmon is enlarged by edge component but the enlargement effect diminishing with the increase of kedge. The results are important for the application of graphene plasmon towards ultra-compact photonic devices.

  1. Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

    Institute of Scientific and Technical Information of China (English)

    杨玉娥; 肖杨; 颜晓红; 戴昌杰

    2015-01-01

    We have performed density-functional calculations of the transport properties of the zigzag graphene nanoribbon (ZGNR) adsorbed with a single iron atom. Two adsorption configurations are considered, i.e., iron adsorbed on the edge and on the interior of the nanoribbon. The results show that the transport features of the two configurations are similar. However, the transport properties are modified due to the scattering effects induced by coupling of the ZGNR band states to the localized 3d-orbital state of the iron atom. More importantly, one can find that several dips appear in the transmission curve, which is closely related to the above mentioned coupling. We expect that our results will have potential applications in graphene-based spintronic devices.

  2. Magnetic structure and magnetic transport properties of graphene nanoribbons with sawtooth zigzag edges.

    Science.gov (United States)

    Wang, D; Zhang, Z; Zhu, Z; Liang, B

    2014-12-23

    The magnetic structure and magnetic transport properties of hydrogen-passivated sawtooth zigzag-edge graphene nanoribbons (STGNRs) are investigated theoretically. It is found that all-sized ground-state STGNRs are ferromagnetic and always feature magnetic semiconductor properties, whose spin splitting energy gap E(g) changes periodically with the width of STGNRs. More importantly, for the STGNR based device, the dual spin-filtering effect with the perfect (100%) spin polarization and high-performance dual spin diode effect with a rectification ratio about 10(10) can be predicted. Particularly, a highly effective spin-valve device is likely to be realized, which displays a giant magnetoresistace (MR) approaching 10(10)%, which is three orders magnitude higher than the value predicted based on the zigzag graphene nanoribbons and six orders magnitude higher than previously reported experimental values for the MgO tunnel junction. Our findings suggest that STGNRs might hold a significant promise for developing spintronic devices.

  3. Template-free synthesis of fully collapsed carbon nanotubes and graphene nanoribbons by chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yong-Xing [School of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Jia, Yong, E-mail: yjiaahedu@163.com [School of Pharmacy, Anhui University of Chinese Medicine, Hefei 230012 (China)

    2015-12-01

    Highlights: • Commercial Fe{sub 2}O{sub 3} and Al{sub 2}O{sub 3} powders were chosen to prepare Fe{sub 2}O{sub 3}/Al{sub 2}O{sub 3} catalyst. • Fully collapsed carbon nanotubes and graphene nanoribbons were synthesized through the catalytic decomposition of methane at 900 °C. • The formation mechanism of the fully collapsed carbon nanotubes was revealed. - Abstract: Fe{sub 2}O{sub 3}/Al{sub 2}O{sub 3} catalyst was prepared by simply calcining the mixture of commercial Fe{sub 2}O{sub 3} and Al{sub 2}O{sub 3} powders at 1000 °C. The obtained Fe{sub 2}O{sub 3}/Al{sub 2}O{sub 3} catalyst shows high efficiency for the synthesis of fully collapsed carbon nanotubes and graphene nanoribbons through the catalytic decomposition of methane at 900 °C. The yield of the fully collapsed carbon nanotubes and graphene nanoribbons was 19.5 wt%. Field emission scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy and thermal gravimetric analysis were used to characterize the products. A tip-growth mechanism for the fully collapsed carbon nanotubes was suggested based on the SEM and TEM images of products produced at the initial stage. The break through of the catalyst particle from graphite layers resulted in the crack and then cut open of the fully collapsed carbon nanotubes, which further resulted in the formation of the graphene nanoribbons.

  4. Structural Stability of Functionalized Silicene Nanoribbons with Normal, Reconstructed, and Hybrid Edges

    OpenAIRE

    Sadegh Mehdi Aghaei; Ingrid Torres; Irene Calizo

    2016-01-01

    Silicene, a novel graphene-like material, has attracted a significant attention because of its potential applications for nanoelectronics. In this paper, we have theoretically investigated the structural stability of edge-hydrogenated and edge-fluorinated silicene nanoribbons (SiNRs) via first-principles calculations. Various edge forms of SiNRs including armchair edge, zigzag edge, Klein edge, reconstructed Klein edge, reconstructed pentagon-heptagon edge, and hybrid edges have been consider...

  5. First Principles Study on the Electronic Structure and Interface Stability of Hybrid Silicene/Fluorosilicene Nanoribbons

    OpenAIRE

    Jiang, Q G; Zhang, J. F.; Ao, Z. M.; Y. P. Wu

    2015-01-01

    The interface stability of hybrid silicene/fluorosilicene nanoribbons (SFNRs) has been investigated by using density functional theory calculations, where fluorosilicene is the fully fluorinated silicene. It is found that the diffusion of F atoms at the zigzag and armchair interfaces of SFNRs is endothermic, and the corresponding minimum energy barriers are respectively 1.66 and 1.56?eV, which are remarkably higher than the minimum diffusion energy barrier of one F atom and two F atoms on pri...

  6. Peridynamics as an analysis tool for wave propagation in graphene nanoribbons

    Science.gov (United States)

    Martowicz, A.; Staszewski, W. J.; Ruzzene, M.; Uhl, T.

    2015-04-01

    The work is devoted to the study on elastic wave propagation in graphene nanoribbons, performed with peridynamics. Graphene nanoribbons have recently gained dramatic increase of interest in the fields of nanoelectronics and nanoelectromechanical systems. They can play a key role as either modern metallic or semiconductor materials, depending on the edge structure, with zigzag or armchair layout, respectively. Moreover, graphene opens new perspectives for the millimeter wave-based measurements systems. The authors present a peridynamic model used as alternative approach to analyze the dynamic behavior of a graphene nanoribbon. The model is considered as a periodic structure, i.e. an assembly of fundamental structural elements, with the first Brillouin zone under study, which undergoes propagation of elastic wave. The commonly applied auxiliary atomistic-continuum model for a C-C bond is used to set equivalent elastic properties, which are applied to find reference dispersion relation via FE model to study the behavior of the peridynamic model. The paper discusses its capability of recovering the physical nature of the reactions at the atomic scale present in a graphene applying dispersion characteristics. The peridynamic model of the graphene nanoribbon results from upscaling process carried out for a small-scale atomic model, making use of reference dispersion curve. The material properties are homogenized over studied domain indirectly by tuning the phase velocity for longitudinal in-plane elastic waves. As shown, nonlocal nature of peridynamics allows to preserve the lengthscale effect, local small-scale inhomogeneity and wave dispersion. Hence, the effect of spatial discretization at nano scale, arising from the distribution of atoms of carbon in the structure of graphene, may be represented with a nonlocal peridynamic model effectively.

  7. Palladium Nanoribbon Array for Fast Hydrogen Gas Sensing with Ultrahigh Sensitivity.

    Science.gov (United States)

    Pak, Yusin; Lim, Namsoo; Kumaresan, Yogeenth; Lee, Ryeri; Kim, Kihyeun; Kim, Tae Heon; Kim, Sang-Mook; Kim, Jin Tae; Lee, Heon; Ham, Moon-Ho; Jung, Gun-Young

    2015-11-18

    A lithographically aligned palladium nano-ribbon (Pd-NRB) array with gaps of less than 40 nm is fabricated on a poly(ethylene terephthalate) substrate using the direct metal transfer method. The 200 μm Pd-NRB hydrogen gas sensor exhibits an unprecedented sensitivity of 10(9) % after bending treatment, along with fast sensing behavior (80% response time of 3.6 s and 80% recovery time of 8.7 s) at room temperature.

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

    DEFF Research Database (Denmark)

    Christensen, Rasmus Bjerregaard; Frederiksen, Thomas; Brandbyge, Mads

    2015-01-01

    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, Nat. Nanotechnol.7, 713 (2012)], we present detailed first-principles simulations of inelastic electron...... 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....

  9. Ultrathin Topological Insulator Bi 2 Se 3 Nanoribbons Exfoliated by Atomic Force Microscopy

    KAUST Repository

    Hong, Seung Sae

    2010-08-11

    Ultrathin topological insulator nanostructures, in which coupling between top and bottom surface states takes place, are of great intellectual and practical importance. Due to the weak van der Waals interaction between adjacent quintuple layers (QLs), the layered bismuth selenide (Bi2Se 3), a single Dirac-cone topological insulator with a large bulk gap, can be exfoliated down to a few QLs. In this paper, we report the first controlled mechanical exfoliation of Bi2Se3 nanoribbons (>50 QLs) by an atomic force microscope (AFM) tip down to a single QL. Microwave impedance microscopy is employed to map out the local conductivity of such ultrathin nanoribbons, showing drastic difference in sheet resistance between 1-2 QLs and 4-5 QLs. Transport measurement carried out on an exfoliated (>5 QLs) Bi2Se3 device shows nonmetallic temperature dependence of resistance, in sharp contrast to the metallic behavior seen in thick (>50 QLs) ribbons. These AFM-exfoliated thin nanoribbons afford interesting candidates for studying the transition from quantum spin Hall surface to edge states. © 2010 American Chemical Society.

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

    KAUST Repository

    Bilić, A

    2013-06-14

    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. © 2013 IOP Publishing Ltd.

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

    Science.gov (United States)

    Wu, Xiaohua; Zhang, Xiaoli; Wang, Xianlong; Zeng, Zhi

    2016-04-01

    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-electron 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.

  12. Electronic structures and edge effects of Ga2S2 nanoribbons

    Science.gov (United States)

    Wang, Bao-Ji; Li, Xiao-Hua; Zhang, Li-Wei; Wang, Guo-Dong; Ke, San-Hang

    2016-10-01

    Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the electronic properties of the nanoribbons are very sensitive to the edge structure. The zigzag nanoribbons (Ga2S2-ZNRs) are ferromagnetic (FM) metallic with spin-polarized edge states regardless of the H-passivation, whereas the bare armchair ones (Ga2S2-ANRs) are semiconducting with an indirect band gap. This band gap exhibits an oscillation behavior as the width increases and finally converges to a constant value. Similar behavior is also found in H-saturated Ga2S2-ANRs, although the band gap converges to a larger value. The relative stabilities of the bare ANRs and ZNRs are investigated by calculating their binding energies. It is found that for a similar width the ANRs are more stable than the ZNRs, and both are more stable than some Ga2S2 nanoclusters with stable configurations. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174220 and 11374226), the Key Scientific Research Project of the Henan Institutions of Higher Learning (Grant No. 16A140009), the Program for Innovative Research Team of Henan Polytechnic University (Grant Nos. T2015-3 and T2016-2), and the Doctoral Foundation of Henan Polytechnic University (Grant No. B2015-46).

  13. Hydroxyl induced edge magnetism and metallicity in armchair MoS2 nanoribbons

    Science.gov (United States)

    Cheng, Xue-Mei; Wang, Xue-Feng; Liu, Yu-Sheng; Dong, Yao-Jun; Xu, Long

    2016-03-01

    Based on ab initio density functional theory, we demonstrate systematically how nonmagnetic semiconductor armchair MoS2 nanoribbons (AMoS2NRs) become magnetic or/and metallic when being edge-passivated by OH groups. Both the Mo and S edge atoms of an AMoS2NR can adsorb OH groups but an S atom can catch one OH group only when each of its neighbor Mo atoms has already been passivated by two. The AMoS2NR becomes edge magnetic in low passivation density and edge conductive in high density. In the case of uniform edge passivation, one or both of the edges usually become metallic and nonmagnetic if the number i of OH groups per primitive cell satisfies 1≤slant i<8 . In case i<1 a non-passivated edge Mo atom may be spin polarized if its neighbor Mo atom has adsorbed one OH group and the nanoribbon becomes magnetic semiconductor. For i=8 the nanoribbon become nonmagnetic semiconductor again.

  14. Template-free synthesis of fully collapsed carbon nanotubes and graphene nanoribbons by chemical vapor deposition

    Science.gov (United States)

    Zhang, Yong-Xing; Jia, Yong

    2015-12-01

    Fe2O3/Al2O3 catalyst was prepared by simply calcining the mixture of commercial Fe2O3 and Al2O3 powders at 1000 °C. The obtained Fe2O3/Al2O3 catalyst shows high efficiency for the synthesis of fully collapsed carbon nanotubes and graphene nanoribbons through the catalytic decomposition of methane at 900 °C. The yield of the fully collapsed carbon nanotubes and graphene nanoribbons was 19.5 wt%. Field emission scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy and thermal gravimetric analysis were used to characterize the products. A tip-growth mechanism for the fully collapsed carbon nanotubes was suggested based on the SEM and TEM images of products produced at the initial stage. The break through of the catalyst particle from graphite layers resulted in the crack and then cut open of the fully collapsed carbon nanotubes, which further resulted in the formation of the graphene nanoribbons.

  15. Optoelectronic Properties of Van Der Waals Hybrid Structures: Fullerenes on Graphene Nanoribbons

    Science.gov (United States)

    Correa, Julián David; Orellana, Pedro Alejandro; Pacheco, Mónica

    2017-01-01

    The search for new optical materials capable of absorbing light in the frequency range from visible to near infrared is of great importance for applications in optoelectronic devices. In this paper, we report a theoretical study of the electronic and optical properties of hybrid structures composed of fullerenes adsorbed on graphene and on graphene nanoribbons. The calculations are performed in the framework of the density functional theory including the van der Waals dispersive interactions. We found that the adsorption of the C60 fullerenes on a graphene layer does not modify its low energy states, but it has strong consequences for its optical spectrum, introducing new absorption peaks in the visible energy region. The optical absorption of fullerenes and graphene nanoribbon composites shows a strong dependence on photon polarization and geometrical characteristics of the hybrid systems, covering a broad range of energies. We show that an external electric field across the nanoribbon edges can be used to tune different optical transitions coming from nanoribbon–fullerene hybridized states, which yields a very rich electro-absorption spectrum for longitudinally polarized photons. We have carried out a qualitative analysis on the potential of these hybrids as possible donor-acceptor systems in photovoltaic cells. PMID:28336904

  16. Multifunctional nitrogen-doped graphene nanoribbon aerogels for superior lithium storage and cell culture.

    Science.gov (United States)

    Liu, Yang; Wang, Xuzhen; Wan, Wubo; Li, Lingli; Dong, Yanfeng; Zhao, Zongbin; Qiu, Jieshan

    2016-01-28

    Nitrogen-doped graphene nanoribbon aerogels (N-GNRAs) are fabricated through the self-assembly of graphene oxide nanoribbons (GONRs) combined with a thermal annealing process. Amino-groups are grafted to the surface of graphene nanoribbons (GNRs) by an epoxy ring-opening reaction. High nitrogen doping level (7.6 atm% as confirmed by elemental analysis) is achieved during thermal treatment resulting from functionalization and the rich edge structures of GNRs. The three dimensional (3D) N-GNRAs feature a hierarchical porous structure. The quasi-one dimensional (1D) GNRs act as the building blocks for the construction of fishnet-like GNR sheets, which further create 3D frameworks with micrometer-scale pores. The edge effect of GNRs combined with nitrogen doping and porosity give rise to good electrical conductivity, superhydrophilic, highly compressible and low density GNRAs. As a result, a high capacity of 910 mA h g(-1) is achieved at a current density of 0.5 A g(-1) when they are tested as anode materials for lithium ion batteries. Further cell culture experiments with the GNRAs as human medulloblastoma DAOY cell scaffolds demonstrate their good biocompatibility, inferring potential applications in the biomedical field.

  17. Sensory-organ-like response determines the magnetism of zigzag-edged honeycomb nanoribbons

    Science.gov (United States)

    Bhowmick, Somnath; Medhi, Amal; Shenoy, Vijay B.

    2013-02-01

    We present an analytical effective theory for the magnetic phase diagram for zigzag-edge terminated honeycomb nanoribbons described by a Hubbard model with an interaction parameter U. We show that the edge magnetic moment varies as lnU and uncover its dependence on the width W of the ribbon. The physics of this owes its origin to the sensory-organ-like response of the nanoribbons, demonstrating that considerations beyond the usual Stoner-Landau theory are necessary to understand the magnetism of these systems. A first-order magnetic transition from an antiparallel orientation of the moments on opposite edges to a parallel orientation occurs upon doping with holes or electrons. The critical doping for this transition is shown to depend inversely on the width of the ribbon. Using variational Monte Carlo calculations, we show that magnetism is robust to fluctuations. Additionally, we show that the magnetic phase diagram is generic to zigzag-edge terminated nanostructures such as nanodots. Furthermore, we perform first-principles modeling to show how such magnetic transitions can be realized in substituted graphene nanoribbons.

  18. On the channel width-dependence of the thermal conductivity in ultra-narrow graphene nanoribbons

    Science.gov (United States)

    Karamitaheri, Hossein; Neophytou, Neophytos

    2016-08-01

    The thermal conductivity of low-dimensional materials and graphene nanoribbons, in particular, is limited by the strength of line-edge-roughness scattering. One way to characterize the roughness strength is the dependency of the thermal conductivity on the channel's width in the form Wβ. Although in the case of electronic transport, this dependency is very well studied, resulting in W6 for nanowires and quantum wells and W4 for nanoribbons, in the case of phonon transport it is not yet clear what this dependence is. In this work, using lattice dynamics and Non-Equilibrium Green's Function simulations, we examine the width dependence of the thermal conductivity of ultra-narrow graphene nanoribbons under the influence of line edge-roughness. We show that the exponent β is in fact not a single well-defined number, but it is different for different parts of the phonon spectrum depending on whether phonon transport is ballistic, diffusive, or localized. The exponent β takes values β diffusive or localized phonons, and β = 1 only in the case where the transport is diffusive. The overall Wβ dependence of the thermal conductivity is determined by the width-dependence of the dominant phonon modes (usually the acoustic ones). We show that due to the long phonon mean-free-paths, the width-dependence of thermal conductivity becomes a channel length dependent property, because the channel length determines whether transport is ballistic, diffusive, or localized.

  19. Spin states of zigzag-edged Mobius graphene nanoribbons from first principles

    CERN Document Server

    Jiang, De-en

    2007-01-01

    Mobius graphene nanoribbons have only one edge topologically. How the magnetic structures, previously associated with the two edges of zigzag-edged flat nanoribbons or cyclic nanorings, would change for their Mobius counterparts is an intriguing question. Using spin-polarized density functional theory, we shed light on this question. We examine spin states of zigzag-edged Mobius graphene nanoribbons (ZMGNRs) with different widths and lengths. We find a triplet ground state for a Mobius cyclacene, while the corresponding two-edged cyclacene has an open-shell singlet ground state. For wider ZMGNRs, the total magnetization of the ground state is found to increase with the ribbon length. For example, a quintet ground state is found for a ZMGNR. Local magnetic moments on the edge carbon atoms form domains of majority and minor spins along the edge. Spins at the domain boundaries are found to be frustrated. Our findings show that the Mobius topology (i.e., only one edge) causes ZMGNRs to favor one spin over the oth...

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

    Science.gov (United States)

    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.

  1. Self-assembly of NH₂-(α,L-lysine)₅-COOH and SDS into nanodiscs or nanoribbons regulated by pH.

    Science.gov (United States)

    Zhang, S; Yang, S; Zang, J; Yang, R; Zhao, G; Xu, C

    2014-09-01

    NH2-(α,l-lysine)5-COOH and SDS can self-assemble into nanodiscs or nanoribbons. We show that pH can regulate not only the diameter of nanodiscs but also the conversion between nanodiscs and nanoribbons. This system can be used as two different templates for fabricating platinum nanowires and nanodiscs.

  2. Self-assembled sulfur/reduced graphene oxide nanoribbon paper as a free-standing electrode for high performance lithium-sulfur batteries.

    Science.gov (United States)

    Liu, Yang; Wang, Xuzhen; Dong, Yanfeng; Tang, Yongchao; Wang, Luxiang; Jia, Dianzeng; Zhao, Zongbin; Qiu, Jieshan

    2016-10-25

    Flexible, interconnected sulfur/reduced graphene oxide nanoribbon paper (S/RGONRP) is synthesized through S(2-) reduction and evaporation induced self-assembly processes. The in situ formed sulfur atoms chemically bonded with the surface of reduced graphene oxide nanoribbons and were physically trapped by the compact assembly, which make the hybrid a suitable cathode material for lithium-sulfur batteries.

  3. Wurtzite CuInS₂ and CuInxGa₁-xS₂ nanoribbons: synthesis, optical and photoelectrical properties.

    Science.gov (United States)

    Li, Qiang; Zhai, Lanlan; Zou, Chao; Huang, Xusheng; Zhang, Lijie; Yang, Yun; Chen, Xi'an; Huang, Shaoming

    2013-02-21

    Single crystalline wurtzite ternary and quaternary semiconductor nanoribbons (CuInS(2), CuIn(x)Ga(1-x)S(2)) were synthesized through a solution-based method. The structure and composition of the nanoribbons were characterized by X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), the corresponding fast Fourier transform (FFT) and nanoscale-resolved elemental mapping. Detailed investigation of the growth mechanism by monitoring the structures and morphologies of the nanoribbons during the growth indicates that Cu(1.75)S nanocrystals are formed first and act as a catalyst for the further growth of the nanoribbons. The high mobility of Cu(+) promotes the generation of Cu(+) vacancies in Cu(1.75)S, which will facilitate the diffusion of Cu, In or Ga species from solution into Cu(1.75)S to reach supersaturated states. The supersaturated species in the Cu(1.75)S catalyst, Cu-In-S and Cu-In-Ga-S species, start to condense and crystallize to form wurtzite CuInS(2) or CuIn(x)Ga(1-x)S(2) phases, firstly resulting in two-sided nanoparticles. Successive crystallizations gradually impel the Cu(1.75)S catalyst head forward and prolong the length of the CuInS(2) or CuIn(x)Ga(1-x)S(2) body, forming heterostructured nanorods and thus nanoribbons. The optical band gaps of CuIn(x)Ga(1-x)S(2) nanoribbons can be continuously adjusted between 1.44 eV and 1.91 eV, depending on the Ga concentration in nanoribbons. The successful preparation of those ternary and quaternary semiconductor nanoribbons provide us an opportunity to study their photovoltaic properties. The primary photoresponsive current measurements demonstrate that wurtzite CuIn(x)Ga(1-x)S(2) nanoribbons are excellent photoactive materials. Furthermore, this facile method could open a new way to synthesize other various nano-structured ternary and quaternary semiconductors, such as CuInSe(2) and CuIn(x)Ga(1-x)Se(2), for applications in solar cells and other fields.

  4. Properties of Fe{sub 8−N}Co{sub N} nanoribbons and nanowires: A DFT approach

    Energy Technology Data Exchange (ETDEWEB)

    Muñoz, Francisco [Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024 (Chile); Centro para el Desarrollo de la Nanociencia y la Nanotecnología, CEDENNA, Avda. Ecuador 3493, Santiago 9170124 (Chile); Altbir, D. [Centro para el Desarrollo de la Nanociencia y la Nanotecnología, CEDENNA, Avda. Ecuador 3493, Santiago 9170124 (Chile); Departamento de Física, Universidad de Santiago (Chile); Kiwi, Miguel, E-mail: m.kiwi.t@gmail.com [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 7800024 (Chile); Centro para el Desarrollo de la Nanociencia y la Nanotecnología, CEDENNA, Avda. Ecuador 3493, Santiago 9170124 (Chile); Morán-López, J.L. [Departamento de Física, Laboratorio Interdisciplinario, Facultad de Ciencias, Universidad Nacional Autónoma de México, México, D.F. (Mexico)

    2013-08-15

    The structural configurations and magnetic properties of zig-zag nanoribbons and nanowires of Fe{sub 8−N}Co{sub N}, for 0≤N≤8, are calculated within the density functional theory. Both, for the zig-zag nanoribbons and the nanowires, there is a tendency towards forming Fe–Co bonds, while segregation of the Fe and Co is energetically unfavorable. For the nanowire structures a transition from bcc Fe to hcp Co spatial arrangements is observed when N is increased from 4 to 6, in spite of the small size of the systems under investigation. The energy minimization was performed taking into consideration the electronic and magnetic structures, since for each crystalline structure, chemical composition, and short range order, particular magnetic properties of these systems do correspond. The magnetocrystalline anisotropy energy is calculated, and it is found that the easy axis changes from a transverse direction in Fe-rich systems, to the axial direction as the Co concentration increases. It is also found that although there are important variations of the local magnetic moment of the components, and their particular location in the system, the average magnetic moment is an almost linear function of N. - Highlights: ► Properties of Fe{sub 8−N}Co{sub N} nanoribbons and nanowires are calculated ab initio. ► Structural and magnetic properties of nanoribbons and nanowires are calculated. ► Shape and crystalline anisotropies of nanoribbons and nanowires are contrasted.

  5. Scalable Patterning of MoS2 Nanoribbons by Micromolding in Capillaries.

    Science.gov (United States)

    Hung, Yu-Han; Lu, Ang-Yu; Chang, Yung-Huang; Huang, Jing-Kai; Chang, Jeng-Kuei; Li, Lain-Jong; Su, Ching-Yuan

    2016-08-17

    In this study, we report a facile approach to prepare dense arrays of MoS2 nanoribbons by combining procedures of micromolding in capillaries (MIMIC) and thermolysis of thiosalts ((NH4)2MoS4) as the printing ink. The obtained MoS2 nanoribbons had a thickness reaching as low as 3.9 nm, a width ranging from 157 to 465 nm, and a length up to 2 cm. MoS2 nanoribbons with an extremely high aspect ratio (length/width) of ∼7.4 × 10(8) were achieved. The MoS2 pattern can be printed on versatile substrates, such as SiO2/Si, sapphire, Au film, FTO/glass, and graphene-coated glass. The degree of crystallinity of the as-prepared MoS2 was discovered to be adjustable by varying the temperature through postannealing. The high-temperature thermolysis (1000 °C) results in high-quality conductive samples, and field-effect transistors based on the patterned MoS2 nanoribbons were demonstrated and characterized, where the carrier mobility was comparable to that of thin-film MoS2. In contrast, the low-temperature-treated samples (170 °C) result in a unique nanocrystalline MoSx structure (x ≈ 2.5), where the abundant and exposed edge sites were obtained from highly dense arrays of nanoribbon structures by this MIMIC patterning method. The patterned MoSx was revealed to have superior electrocatalytic efficiency (an overpotential of ∼211 mV at 10 mA/cm(2) and a Tafel slope of 43 mV/dec) in the hydrogen evolution reaction (HER) when compared to the thin-film MoS2. The report introduces a new concept for rapidly fabricating cost-effective and high-density MoS2/MoSx nanostructures on versatile substrates, which may pave the way for potential applications in nanoelectronics/optoelectronics and frontier energy materials.

  6. Scalable Patterning of MoS2Nanoribbons by Micromolding in Capillaries

    KAUST Repository

    Hung, Yu-Han

    2016-07-27

    In this study, we report a facile approach to prepare dense arrays of MoS2 nanoribbons by combining procedures of micromolding in capillaries (MIMIC) and thermolysis of thiosalts ((NH4)2MoS4) as the printing ink. The obtained MoS2 nanoribbons had a thickness reaching as low as 3.9 nm, a width ranging from 157 to 465 nm, and a length up to 2 cm. MoS2 nanoribbons with an extremely high aspect ratio (length/width) of ∼7.4 × 108 were achieved. The MoS2 pattern can be printed on versatile substrates, such as SiO2/Si, sapphire, Au film, FTO/glass, and graphene-coated glass. The degree of crystallinity of the as-prepared MoS2 was discovered to be adjustable by varying the temperature through postannealing. The high-temperature thermolysis (1000 °C) results in high-quality conductive samples, and field-effect transistors based on the patterned MoS2 nanoribbons were demonstrated and characterized, where the carrier mobility was comparable to that of thin-film MoS2. In contrast, the low-temperature-treated samples (170 °C) result in a unique nanocrystalline MoSx structure (x ≈ 2.5), where the abundant and exposed edge sites were obtained from highly dense arrays of nanoribbon structures by this MIMIC patterning method. The patterned MoSx was revealed to have superior electrocatalytic efficiency (an overpotential of ∼211 mV at 10 mA/cm2 and a Tafel slope of 43 mV/dec) in the hydrogen evolution reaction (HER) when compared to the thin-film MoS2. The report introduces a new concept for rapidly fabricating cost-effective and high-density MoS2/MoSx nanostructures on versatile substrates, which may pave the way for potential applications in nanoelectronics/optoelectronics and frontier energy materials. © 2016 American Chemical Society.

  7. The effects of gap parameter and spin polarization on electronic Hartree and correlation energies of doped graphene nanoribbon

    Science.gov (United States)

    Rezania, Hamed; Abdi, Ameneh

    2017-04-01

    We study the behaviors of both Hartree and correlation energies of undoped gapped armchair graphene nanoribbon using random phase approximation in the context of Hubbard model Hamiltonian. Specially, the effects of spin polarization and gap parameter on electron density dependence of Hartree and correlation energies of armchair graphene nanoribbon has been addressed. Our results show the variation of gap parameter leads to considerable effect on correlation and Hartree energy behavior of spin unpolarized gapped graphene in the middle electron density region. However local Hubbard interaction parameter affects the behaviors of Hartree and correlation energy on the whole range of electron density in zero magnetization case. We also show that a considerable reduction has been observed for density dependence of Hartree and correlation energies of spin polarized gapped graphene nanoribbon.

  8. 2-dimensional hyperbolic medium for electrons and photons based on the array of tunnel-coupled graphene nanoribbons

    CERN Document Server

    Iorsh, Ivan

    2015-01-01

    We study the electronic band structure and optical conductivity of an array of tunnel-coupled array of graphene nanoribbons. We show that due to the coupling of electronic edge states for the zigzag nanoribbon structure, the Fermi surface can become a hyperbola similarly to the case of the layered metal-dielectric structures, where the hyperbolic isofrequency contours originate from the coupling of localized surface plasmon polaritons. Moreover, we show that for both types of the ribbon edge, the optical response of the structure can be characterized by a uniaxial conductivity tensor, having principal components of the different signs. Therefore, the tunnel-coupled nanoribbon array can be regarded as a tunable hyperbolic metasurface.

  9. High quality sub-10 nm graphene nanoribbons by on-chip PS-b-PDMS block copolymer lithography

    DEFF Research Database (Denmark)

    Rasappa, Sozaraj; Caridad, Jose; Schulte, Lars

    2015-01-01

    the trenches of graphoepitaxial substrates. The SD template was furthermore used as lithographic mask to fabricate high-quality sub-10 nm graphene nanoribbons. This was realized by one step oxygen plasma treatment, which accomplishes three tasks: hardening the PDMS block by oxidation, and etching both the PS...... block and the graphene under PS. Raman analysis supports the formation of graphene nanoribbons with an average distance between defects corresponding to the oxidized PDMS pitch, with no sign of defects generated in the ribbon channel. This suggests a high degree of protection of the nanoribbons...... of 10.5 kg/mol. Thin SD films directly spin cast onto silicon substrates and on graphene, form regular line patterns of sub-10 nm pitch on the substrates after few minutes of annealing at 45 ºC in the presence of toluene vapour. Perfect pattern alignment was achieved by confining the films inside...

  10. Electrochemical unzipping of multi-walled carbon nanotubes for facile synthesis of high-quality graphene nanoribbons.

    Science.gov (United States)

    Shinde, Dhanraj B; Debgupta, Joyashish; Kushwaha, Ajay; Aslam, Mohammed; Pillai, Vijayamohanan K

    2011-03-30

    Here we report a remarkable transformation of carbon nanotubes (CNTs) to nanoribbons composed of a few layers of graphene by a two-step electrochemical approach. This consists of the oxidation of CNTs at controlled potential, followed by reduction to form graphene nanoribbons (GNRs) having smooth edges and fewer defects, as evidenced by multiple characterization techniques, including Raman spectroscopy, atomic force microscopy, and transmission electron microscopy. This type of "unzipping" of CNTs (single-walled, multi-walled) in the presence of an interfacial electric field provides unique advantages with respect to the orientation of CNTs, which might make possible the production of GNRs with controlled widths and fewer defects.

  11. Analysis of Vacancy defects in Hybrid Graphene-Boron Nitride Armchair Nanoribbon based n-MOSFET at Ballistic Limit

    OpenAIRE

    Chanana, Anuja; Sengupta, Amretashis; Mahaptra, Santanu

    2015-01-01

    Here, we report the performance of vacancy affected supercell of a hybrid Graphene-Boron Nitride embedded armchair nanoribbon (a-GNR-BN) based n-MOSFET at its ballistic transport limit using Non Equilibrium Green's Function (NEGF) methodology. A supercell is made of the 3p configuration of armchair nanoribbon that is doped on the either side with 6 BN atoms and is also H-passivated. The type of vacancies studied are mono (B removal), di (B and N atom removal) and hole (removal of 6 atoms) for...

  12. Effect of edge roughness on electronic transport in graphene nanoribbon channel metal-oxide-semiconductor field-effect transistors

    Science.gov (United States)

    Basu, D.; Gilbert, M. J.; Register, L. F.; Banerjee, S. K.; MacDonald, A. H.

    2008-01-01

    Results of quantum mechanical simulations of the influence of edge disorder on transport in graphene nanoribbon metal-oxide-semiconductor field-effect transistors (MOSFETs) are reported. The addition of edge disorder significantly reduces ON-state currents and increases OFF-state currents, and introduces wide variability across devices. These effects decrease as ribbon widths increase and as edges become smoother. However, the band gap decreases with increasing width, thereby increasing the band-to-band tunneling mediated subthreshold leakage current even with perfect nanoribbons. These results suggest that without atomically precise edge control during fabrication, MOSFET performance gains through use of graphene will be difficult to achieve in complementary MOS applications.

  13. Monolayer MoS2 Nanoribbons as a Promising Material for Both n-type and p-type Legs in Thermoelectric Generators

    Science.gov (United States)

    Arab, A.; Davydov, A. V.; Papaconstantopoulos, D. A.; Li, Q.

    2016-10-01

    First-principles calculations have been performed to study the thermoelectric properties of monolayer MoS2 armchair nanoribbons (ACNRs). The electronic behavior of nanoribbons is dominated by the presence of edge states that are dependent on the number of zigzag chains across the nanoribbon. In addition, it is found that the phonon thermal conductance of monolayer MoS2 ACNRs is smaller than monolayer films due to phonon edge scattering. This effect is more pronounced in narrower nanoribbons, which leads to a higher ZT value compared to a monolayer MoS2 sheet. The effects of sulfur vacancy and edge roughness on the thermoelectric properties of MoS2 ACNRs have also been studied. We found that edge roughness decreased ZT values compared to those of perfect nanoribbons, as its impact on electrical conductance is more severe than on phonon thermal conductance. Sulfur vacancy, however, improved ZT in some subbands. It is shown that ZT values as high as 4 for electron-doped and 3 for hole-doped nanoribbons can be achieved at T = 500 K. The ability to achieve high ZT values for both p-type and n-type nanoribbons makes monolayer MoS2 ACNR a promising candidate for future solid-state thermoelectric generators.

  14. Ultrathin gold nanoribbons synthesized within the interior cavity of a self-assembled peptide nanoarchitecture.

    Science.gov (United States)

    Tomizaki, Kin-ya; Wakizaka, Shota; Yamaguchi, Yuichi; Kobayashi, Akitsugu; Imai, Takahito

    2014-01-28

    There is increasing interest in gold nanocrystals due to their unique physical, chemical, and biocompatible properties. In order to develop a template-assisted method for the fabrication of gold nanocrystals, we demonstrate here the de novo design and synthesis of a β-sheet-forming nonapeptide (RU006: Ac-AIAKAXKIA-NH2, X = L-2-naphthylalanine) which undergoes self-assembly to form disk-like nanoarchitectures approximately 100 nm wide and 2.5 nm high. These self-assemblies tend to form a network of higher-order assemblies in ultrapure water. Using RU006 as a template molecule, we fabricated ultrathin gold nanoribbons 50-100 nm wide, 2.5 nm high, and micrometers long without external reductants. Furthermore, in order to determine the mechanism of ultrathin gold nanoribbon formation, we synthesized four different RU006 analogues. On the basis of the results obtained using RU006 and these analogues, we propose the following mechanism for the self-assembly of RU006. First, RU006 forms a network by the cooperative association of disk-like assemblies in the presence of AuCl4(-) ions that are encapsulated and concentrated within the interior cavity of the network architectures. This is followed by electron transfer from the naphthalene rings to Au(III), resulting in slow growth to form ultrathin gold nanoribbons along the template network architectures under ambient conditions. The resulting ribbons retain the dimensions of the cavity of the template architecture. Our approach will allow the construction of diverse template architectural morphologies and will find applications in the construction of a variety of metallic nanoarchitectures.

  15. Mechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstruction

    KAUST Repository

    Cheng, Yingchun

    2012-10-01

    The structural and mechanical properties of graphene nanoribbons (GNRs) under uniaxial tensile strain are studied by density functional theory. The ideal strength of a zigzag GNR (120 GPa) is close to that of pristine graphene. However, for a GNR with both edges reconstructed to pentagon–heptagon pairs (from hexagon–hexagon pairs) it decreases to 94 GPa and the maximum tensile strain is reduced to 15%. Our results constitute a comprehensive picture of the edge structure effect on the mechanical properties of GNRs.

  16. High-Density Chemical Intercalation of Zero-Valent Copper into Bi 2 Se 3 Nanoribbons

    KAUST Repository

    Koski, Kristie J.

    2012-05-09

    A major goal of intercalation chemistry is to intercalate high densities of guest species without disrupting the host lattice. Many intercalant concentrations, however, are limited by the charge of the guest species. Here we have developed a general solution-based chemical method for intercalating extraordinarily high densities of zero-valent copper metal into layered Bi 2Se 3 nanoribbons. Up to 60 atom % copper (Cu 7.5Bi 2Se 3) can be intercalated with no disruption to the host lattice using a solution disproportionation redox reaction. © 2012 American Chemical Society.

  17. Electron transport property of cobalt-centered porphyrin-armchair graphene nanoribbon (AGNR) junction

    Energy Technology Data Exchange (ETDEWEB)

    Mondal, Rajkumar; Sarkar, Utpal, E-mail: utpalchemiitkgp@yahoo.com [Department of Physics, Assam University, Silchar-788011 (India)

    2015-06-24

    We have investigated the electron transport properties of Cobalt-centered (Co-centered) porphyrin molecule using the density functional theory and non-equilibrium greens function method. Here we have reported transmission coefficient as well as current voltage characteristics of Co-centered porphyrine molecule connected between armchair graphene nanoribbons. It has been found that at low bias region i.e., 0 V to 0.3 V it does not contribute any current. Gradual increase of bias voltage results different order of magnitude of current in different bias region.

  18. Effect of increasing length on the electronic transport of an armchair graphene nano-ribbons

    Directory of Open Access Journals (Sweden)

    Sh Aghamiri Esfahani

    2015-12-01

    Full Text Available In this research, we have investigated the effect of increasing length on the electronic transport of an armchair graphene nano-ribbons with nitrogen atom impurity and without impurity. The semi-infinite, one-dimensional molecular systems are connected to two electrodes and the electron-electron interaction is ignored. The system is described by a simple tight binding model. All calculations are based on the Green's function and Landauer–Buttiker approach, and the electrodes are described in a wide band approximation.

  19. Performance Analysis of Boron Nitride Embedded Armchair Graphene Nanoribbon MOSFET with Stone Wales Defects

    OpenAIRE

    Chanana, Anuja; Sengupta, Amretashis; Mahapatra, Santanu

    2013-01-01

    We study the performance of a hybrid Graphene-Boron Nitride {GNR-BN} armchair nanoribbon {a-GNR-BN} MOSFET at its ballistic transport limit. We consider three geometric configurations 3p, 3p+1 and 3p+2 of a-GNR-BN with BN atoms embedded on both sides {2, 4 and 6 BN on each side} on the GNR. The material properties like band gap, effective mass and density of states of these H-passivated structures have been evaluated using the Density Functional Theory {DFT}. Using these material parameters, ...

  20. The electronic and magnetic properties of corrugated zigzag graphene nanoribbons with divacancy defects

    Science.gov (United States)

    Tan, Xiao-Dong; Liao, Xiao-Ping; Sun, Litao

    2017-01-01

    We investigate the electronic and magnetic properties of the corrugated zigzag graphene nanoribbons (ZGNRs) with divacancy defects by means of the first principle calculations. We show that the magnitude of corrugation in the defective ZGNR determines whether the system is in the antiferromagnetic state, in the ferromagnetic state, or in the nonmagnetic state. Correspondingly, the mutual transition between the semiconductor and the metal can also be realized in this structure. Moreover, for semiconductors the energy gap displays oscillating behaviors as the magnitude of corrugation increases. These results are identified as being useful in manufacturing flexible devices.

  1. Effect of vertical-strain-induced symmetry breaking on transport properties of zigzag graphene nanoribbons

    Science.gov (United States)

    Zou, Dongqing; Zhao, Wenkai; Fang, Changfeng; Cui, Bin; Liu, Desheng

    2017-02-01

    Using density functional theory combined with nonequilibrium Green's function formalism, we investigate the transport properties of zigzag graphene nanoribbons (ZGNRs) under vertical strain. Our calculations show that localized state induced by vertical strain will inhibit the electronic transport of the systems at zero bias, but at nonzero bias, the localized state can enhance the electronic transport behavior if ZGNRs are symmetry with respect to the mid-plane between two edges. This is because the localized state produces an asymmetry electron density distribution which break the current suppression. These findings may be useful for the application of strain-induced ZGNR based molecular devices.

  2. Spin-filter and negative differential resistance effect in zigzag-edged bilayer graphene nanoribbon devices

    Directory of Open Access Journals (Sweden)

    Yun Ni

    2016-02-01

    Full Text Available By performing first-principle quantum transport calculation, the spin-dependent transport properties of zigzag-edged bilayer graphene nanoribbon based devices are investigated. There are four kinds of structures with different stacking sequences and treatment of dangling bonds considered in our work. It is shown that the devices are perfect spin-filters with extremely large spin polarization as well as substantial negative differential resistance effects, which are affected by the stacking sequences and edge structures. All these phenomena can be explained by the spin-resolved local density of states and the tranmission spectra.

  3. A DFT Study on Electronic and Structural Properties of Graphene Nanoribbons

    OpenAIRE

    I.K. Petrushenko

    2016-01-01

    We carry out quantum chemistry calculations on armchair graphene nanoribbons (AGNRs) using density-functional theory. PVE/SVP results for the dependence of energies of the highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO) as well as energy gaps on AGNR widths and lengths are presented. We compare the HOMO and LUMO energies of a series of AGNRs with those energies of fullerene C60 and its soluble derivative, PCBM, to ascertain whether it is possible to use such AGNRs as e...

  4. Electronic properties of NH4-adsorbed graphene nanoribbon as a promising candidate for a gas sensor

    Science.gov (United States)

    Harada, Naoki; Sato, Shintaro

    2016-05-01

    The electronic properties of NH4-adsorbed N = 7 armchair graphene nanoribbons (AGNRs) were theoretically investigated using self-consistent atomistic simulations to explore the feasibility of AGNRs as a gas sensing material. Whereas a pristine AGNR has a finite band gap and is an intrinsic semiconductor, an NH4-adsorbed AGNR exhibits heavily doped n-type properties similar to a graphene sheet with the molecules adsorbed. The electric characteristics of a back-gated AGNR gas sensor were also simulated and the drain current changed exponentially with increasing number of adsorbed molecules. We may conclude that an AGNR is promising as a highly sensitive gas-sensing material with large outputs.

  5. First principle study of structural, electronic and magnetic properties of silicon doped zigzag boron nitride nanoribbon

    Science.gov (United States)

    Bahadur, Amar; Verma, Mohan L.; Mishra, Madhukar

    2015-04-01

    Using first principle calculation, we investigate the structural, electronic and magnetic properties of silicon doped zigzag boron nitride nanoribbon (ZBNNR). Our results show that the shift in position of silicon doping with respect to the ribbon edge causes change in the structural geometry, electronic structure and magnetization of ZBNNR. The band gap of silicon doped ZBNNR is found to become narrower as compared to that of perfect ZBNNR. We find that band gap and magnetic moment of ZBNNR can be tuned by substitutional silicon doping position and doping concentration.

  6. Nano Peltier cooling device from geometric effects using a single graphene nanoribbon

    Science.gov (United States)

    Li, Wan-Ju; Yao, Dao-Xin; Carlson, Erica

    2012-02-01

    Based on the phenomenon of curvature-induced doping in graphene we propose a class of Peltier cooling devices, produced by geometrical effects, without gating. We show how a graphene nanoribbon laid on an array of curved nano cylinders can be used to create a targeted cooling device. Using theoretical calculations and experimental inputs, we predict that the cooling power of such a device can approach 1kW/cm^2, on par with the best known techniques using standard lithography methods. The structure proposed here helps pave the way toward designing graphene electronics which use geometry rather than gating to control devices.

  7. Detecting CO, NO and NO2 gases by Boron-doped graphene nanoribbon molecular devices

    Science.gov (United States)

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

    2016-07-01

    Combining nonequilibrium Green's function method and density functional theory, an azulene-like dipole molecule sandwiched between two graphene nanoribbon (GNR) electrodes are explored to gas sensors. Both the pristine zigzag edged GNR and Boron-doped armchair-edged GNR are considered in this study. It shows that certain specific toxic molecules CO, NO and NO2 would adsorb on the doped Boron atoms of the GNR, resulting in a dramatic change in the current-voltage profile. Changes in the subbands of electrodes, induced by gas adsorption, are responsible for the variation of current. The devices are thus demonstrated to be sensitive nanosensors for these toxic gases.

  8. Magnetic-Phase Dependence of the Spin Carrier Mean Free Path in Graphene Nanoribbons

    Science.gov (United States)

    Li, Jing; Niquet, Yann-Michel; Delerue, Christophe

    2016-06-01

    We show theoretically that the intrinsic (phonon-limited) carrier mobility in graphene nanoribbons is considerably influenced by the presence of spin-polarized edge states. When the coupling between opposite edges switches from antiferromagnetic to ferromagnetic with increasing carrier density, the current becomes spin polarized and the mean free path rises from 10 nm to micrometers. In the ferromagnetic state, the current flows through one majority-spin channel which is ballistic over micrometers and several minority-spin channels with mean free paths as low as 1 nm. These features predicted in technology-relevant conditions could be nicely exploited in spintronic devices.

  9. Band gap tuning of armchair silicene nanoribbons using periodic hexagonal holes

    Energy Technology Data Exchange (ETDEWEB)

    Mehdi Aghaei, Sadegh; Calizo, Irene, E-mail: icalizo@fiu.edu [Department of Electrical and Computer Engineering, Florida International University, Miami, Florida 33174 (United States)

    2015-09-14

    The popularity of graphene owing to its unique and exotic properties has triggered a great deal of interest in other two-dimensional nanomaterials. Among them silicene shows considerable promise for electronic devices with a carrier mobility comparable to graphene, flexible buckled structure, and expected compatibility with silicon electronics. Using first-principle calculations based on density functional theory, the electronic properties of armchair silicene nanoribbons perforated with periodic nanoholes (ASiNRPNHs) are investigated. Two different configurations of mono-hydrogenated (:H) and di-hydrogenated (:2H) silicene edges are considered. Pristine armchair silicene nanoribbons (ASiNRs) can be categorized into three branches with width W = 3P − 1, 3P, and 3P + 1, P is an integer. The order of their energy gaps change from “E{sub G} (3P − 1) < E{sub G} (3P) < E{sub G} (3P + 1)” for W-ASiNRs:H to “E{sub G} (3P + 1) < E{sub G} (3P − 1) < E{sub G} (3P)” for W-ASiNRs:2H. We found the band gaps of W-ASiNRs:H and (W + 2)-ASiNRs:2H are slightly different, giving larger band gaps for wider ASiNRs:2H. ASiNRPNHs' band gaps changed based on the nanoribbon's width, nanohole's repeat periodicity and position relative to the nanoribbon's edge compared to pristine ASiNRs because of changes in quantum confinement strength. ASiNRPNHs:2H are more stable than ASiNRPNHs:H and their band gaps are noticeably greater than ASiNRPNHs:H. We found that the value of energy band gap for 12-ASiNRPNHs:2H with repeat periodicity of 2 is 0.923 eV. This value is about 2.2 times greater than pristine ASiNR:2H and double that of the 12-ASiNRPNHs:H with repeat periodicity of 2.

  10. Tunable spin-charge conversion through topological phase transitions in zigzag nanoribbons

    KAUST Repository

    Li, Hang

    2016-06-29

    We study spin-orbit torques and charge pumping in magnetic quasi-one-dimensional zigzag nanoribbons with a hexagonal lattice, in the presence of large intrinsic spin-orbit coupling. Such a system experiences a topological phase transition from a trivial band insulator to a quantum spin Hall insulator by tuning of either the magnetization direction or the intrinsic spin-orbit coupling. We find that the spin-charge conversion efficiency (i.e., spin-orbit torque and charge pumping) is dramatically enhanced at the topological transition, displaying a substantial angular anisotropy.

  11. Pure spin current induced by adiabatic quantum pumping in zigzag-edged graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Souma, Satofumi, E-mail: ssouma@harbor.kobe-u.ac.jp; Ogawa, Matsuto [Department of Electrical and Electronic Engineering, Kobe University, 1-1 Rokkodai, Nada, Kobe 657-8501 (Japan)

    2014-05-05

    We show theoretically that pure spin current can be generated in zigzag edged graphene nanoribbons through the adiabatic pumping by edge selective pumping potentials. The origin of such pure spin current is the spin splitting of the edge localized states, which are oppositely spin polarized at opposite edges. In the proposed device, each edge of the ribbon is covered by two independent time-periodic local gate potentials with a definite phase difference, inducing the edge spin polarized current. When the pumping phase difference is opposite in sign between two edges, the total charge currents is zero and the pure edge spin current is generated.

  12. Mechanism of Electron Excitation and Emission from a Nanoribbon under Pulsed Laser Irradiation: Time-Dependent First-Principles Study

    Science.gov (United States)

    Miyauchi, Shota; Watanabe, Kazuyuki

    2017-03-01

    A time-dependent density functional theory simulation demonstrated the sequential dynamics of electron excitation and emission from a silicene nanoribbon under a femtosecond laser pulse. The mechanism for the multiphoton absorption processes that are responsible for the kinetic-energy spectra of emitted electrons was elucidated using Kohn-Sham potentials and the decomposition scheme.

  13. Equilibrium Molecular Dynamics (MD Simulation Study of Thermal Conductivity of Graphene Nanoribbon: A Comparative Study on MD Potentials

    Directory of Open Access Journals (Sweden)

    Asir Intisar Khan

    2015-12-01

    Full Text Available The thermal conductivity of graphene nanoribbons (GNRs has been investigated using equilibrium molecular dynamics (EMD simulation based on Green-Kubo (GK method to compare two interatomic potentials namely optimized Tersoff and 2nd generation Reactive Empirical Bond Order (REBO. Our comparative study includes the estimation of thermal conductivity as a function of temperature, length and width of GNR for both the potentials. The thermal conductivity of graphene nanoribbon decreases with the increase of temperature. Quantum correction has been introduced for thermal conductivity as a function of temperature to include quantum effect below Debye temperature. Our results show that for temperatures up to Debye temperature, thermal conductivity increases, attains its peak and then falls off monotonically. Thermal conductivity is found to decrease with the increasing length for optimized Tersoff potential. However, thermal conductivity has been reported to increase with length using 2nd generation REBO potential for the GNRs of same size. Thermal conductivity, for the specified range of width, demonstrates an increasing trend with the increase of width for both the concerned potentials. In comparison with 2nd generation REBO potential, optimized Tersoff potential demonstrates a better modeling of thermal conductivity as well as provides a more appropriate description of phonon thermal transport in graphene nanoribbon. Such comparative study would provide a good insight for the optimization of the thermal conductivity of graphene nanoribbons under diverse conditions.

  14. Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles

    Science.gov (United States)

    Ting, Xie; Rui, Wang; Shaofeng, Wang; Xiaozhi, Wu

    2016-10-01

    Stone-Wales (SW) defects are favorably existed in graphene-like materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and electronic properties of SW defects in silicene sheet and its nanoribbons as a function of their concentration using the methods of periodic boundary conditions with first-principles calculations. We first calculate the formation energy, structural properties, and electronic band structures of SW defects in silicene sheet, with dependence on the concentration of SW defects. Our results show a good agreement with available values from the previous first-principles calculations. The energetics, structural aspects, and electronic properties of SW defects with dependence on defect concentration and location in edge-hydrogenated zigzag silicene nanoribbons are obtained. For all calculated concentrations, the SW defects prefer to locate at the edge due to the lower formation energy. The SW defects at the center of silicene nanoribbons slightly influence on the electronic properties, whereas the SW defects at the edge of silicene nanoribbons split the degenerate edge states and induce a sizable gap, which depends on the concentration of defects. It is worth to find that the SW defects produce a perturbation repulsive potential, which leads the decomposed charge of edge states at the side with defect to transfer to the other side without defect.

  15. A theoretical prediction of super high-performance thermoelectric materials based on MoS2/WS2 hybrid nanoribbons.

    Science.gov (United States)

    Zhang, Zhongwei; Xie, Yuee; Peng, Qing; Chen, Yuanping

    2016-02-17

    Modern society is hungry for electrical power. To improve the efficiency of energy harvesting from heat, extensive efforts seek high-performance thermoelectric materials that possess large differences between electronic and thermal conductance. Here we report a super high-performance material of consisting of MoS2/WS2 hybrid nanoribbons discovered from a theoretical investigation using nonequilibrium Green's function methods combined with first-principles calculations and molecular dynamics simulations. The hybrid nanoribbons show higher efficiency of energy conversion than the MoS2 and WS2 nanoribbons due to the fact that the MoS2/WS2 interface reduces lattice thermal conductivity more than the electron transport. By tuning the number of the MoS2/WS2 interfaces, a figure of merit ZT as high as 5.5 is achieved at a temperature of 600 K. Our results imply that the MoS2/WS2 hybrid nanoribbons have promising applications in thermal energy harvesting.

  16. Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons

    Science.gov (United States)

    Cheng, Cheng; Han, Han; Ren, Cui-Lan; Wang, Chang-Ying; Shao, Kuan; Huai, Ping

    2016-08-01

    The first principles density-functional theoretical calculations of U adatom adsorption and diffusion on a planar graphene and quasi-one-dimensional graphene nanoribbons (GNRs) are performed. An energetic preference is found for U adatom diffusing to the hollow sites of both graphene and GNRs surface. A number of U distinctive diffusion paths either perpendicular or parallel to the ribbon growth direction are examined. The edge effects are evidenced by the calculated energy barriers of U adatom diffusion on armchair and zigzag nanoribbons surfaces. The calculation results indicate that the diffusion of U adatom from the inner site toward the edge site is a feasible process, particularly in zigzag GNR. It is viable to control the initial morphology of nuclear carbon material to retard the diffusion and concentration of nuclides. Project supported by the International S & T Cooperation Program of China (Grant No. 2014DFG60230), the National Natural Science Foundation of China (Grant Nos. 91326105, 21306220, and 21501189), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA02040104).

  17. Excitonic effects in third-harmonic generation: The case of carbon nanotubes and nanoribbons

    Science.gov (United States)

    Attaccalite, C.; Cannuccia, E.; Grüning, M.

    2017-03-01

    Linear and nonlinear optical properties of low-dimensional nanostructures have attracted great interest from the scientific community as tools to probe the strong confinement of electrons and for possible applications in optoelectronic devices. In particular it has been shown that the linear optical response of carbon nanotubes [F. Wang et al., Science 308, 838 (2005), 10.1126/science.1110265] and graphene nanoribbons [Nat. Commun. 5 4253 (2014), 10.1038/ncomms5253] is dominated by bounded electron-hole pairs, excitons. The role of excitons in linear response has been widely studied, but still, little is known about their effect on nonlinear susceptibilities. Using a recently developed methodology [Phys. Rev. B 88, 235113 (2013), 10.1103/PhysRevB.88.235113] based on well-established ab initio many-body perturbation theory approaches, we find that quasiparticle shifts and excitonic effects significantly modify the third-harmonic generation in carbon nanotubes and graphene nanoribbons. For both systems the net effect of many-body effects is to reduce the intensity of the main peak in the independent-particle spectrum and redistribute the spectral weight among several excitonic resonances.

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

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Xiao-Li; Xie, Zhen; Zuo, Xi; Zhang, Guang-Ping, E-mail: zhangguangping@sdnu.edu.cn; Li, Zong-Liang; Wang, Chuan-Kui, E-mail: ckwang@sdnu.edu.cn

    2016-09-16

    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 10{sup 4} 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. - Highlights: • The rectification properties of triangular Graphene nanoflakes are investigated. • The rectifying performance can be optimized by changing the width of the right arm-chaired GNR electrode. • The rectifying performance can also be tuned by varying the number of anchoring carbon atomic chains.

  19. Edge passivation induced single-edge ferromagnetism of zigzag MoS{sub 2} nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Rui; Sun, Hui; Ma, Ben; Hu, Jingguo, E-mail: jghu@yzu.edu.cn; Pan, Jing, E-mail: panjing_yz@163.com

    2017-01-30

    We performed density functional theory study on electronic structure, magnetic properties and stability of zigzag MoS{sub 2} nanoribbons (ZMoS{sub 2}NRs) with and without oxygen (O) passivation. The bare ZMoS{sub 2}NRs are magnetic metal with ferromagnetic edge states, edge passivation decreases their magnetism because of the decrease of edge unsaturated electrons. Obviously, the electronic structure and magnetic properties of ZMoS{sub 2}NRs greatly depend on edge states. When both edges are passivated by O atoms, ZMoS{sub 2}NRs are nonmagnetic metals. When either edge is passivated by O atoms, the systems exhibit single-edge ferromagnetism and magnetism concentrates on the non-passivated edge. Edge passivation can not only tune the magnetism of ZMoS{sub 2}NRs, but also enhance their stability by eliminating dangling bonds. These interesting findings on ZMoS{sub 2}NRs may open the possibility of their application in nanodevices and spintronics. - Highlights: • Edge passivation for tuning magnetism of zigzag MoS{sub 2} nanoribbons (ZMoS{sub 2}NRs) is proposed. • Edge passivation can tune ZMoS{sub 2}NRs from nonmagnetic metal to ferromagnetic metal. • When either edge is passivated, the systems exhibit single-edge ferromagnetic states. • These findings may inspire great interest in the community of ZMoS{sub 2}NRs and motivate numerous experimental researches.

  20. On the possibility of zigzag and armchair silicon nanoribbons having the graphene structure

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Michael [Armament Research Development and Engineering Center, Picatinny, NJ 07806-5000 (United States); Owens, Frank J., E-mail: owensfj@gmail.com [Department of Physics, Hunter College and Graduate Center, City University of New York, 695 Park Ave., New York, NY 10065 (United States)

    2011-03-18

    Graphical abstract: Density functional molecular calculations of the minimum energy structure of armchair nanoribbons show that they have the same two dimensional structure as graphene and are stable as free standing structures. However, the planar zigzag structure is shown to not be a minimum energy structure having negative vibrational frequencies. The armchair ribbons have small direct band gaps which decrease with ribbon length approaching metallic behavior. The difference in the density of states between the spin up state and down state at the top of the valence level raises the possibility that the ribbons could be ferromagnetic semiconductors. Research highlights: {yields} DFT calculations predict armchair Si ribbons are stable structures but not zigzags. {yields} The band gap and ionization potential are predicted to decrease with ribbon length. {yields} Ribbons having more than 38 Si atoms are predicted to have triplet ground states. {yields} Al and P doped ribbons have the potential to be ferromagnetic semiconductors. - Abstract: The possibility of stable two dimensional armchair and zigzag silicon nanoribbons having the same structure as graphene is examined using Density Functional Theory (DFT). The calculations predict that armchair Si ribbons, but not zigzag ribbons, are stable two dimensional structures. The electronic and magnetic properties of undoped and hole and electron doped armchair Si ribbons are calculated. It is predicted that electron and hole doped Si armchair ribbons have the potential to be ferromagnetic semiconductors.

  1. Electron Transport Parameters Study for Transition Metal-Doped Armchair Graphene Nanoribbon via Acoustical Phonon Interactions

    Science.gov (United States)

    Pandya, Ankur; Jha, Prafulla K.

    2017-04-01

    Electron transport parameters such as electron effective mass, Fermi velocity of an electron and electron mobility are calculated for transition metal [manganese (Mn), cobalt (Co)]-doped armchair graphene nanoribbon (aGNR) via polar acoustical phonon [piezoelectric (PZ)] scattering and acoustical deformation potential (ADP) scattering under a high electric field and different doping concentrations. Moreover, the effect of dopant site on these electron transport parameters is also investigated. It is observed that the electron effective mass is reduced significantly in doped aGNR in comparison to pure GNR. It is observed that the net electron mobility contributed by both ADP and PZ mechanisms for Mn-doped aGNR as well as Co-doped aGNR varies in similar fashion as semiconductors wherein the net electron mobility (ADP + PZ) for Mn-doped aGNR is greater than that for the Co-doped graphene nanoribbon. Moreover, it is found that there is no impact of variation in dopant site on the electron transport parameters considered in this study.

  2. Analysis of Simulated Output Characteristics of Gas Sensor Based on Graphene Nanoribbon

    Directory of Open Access Journals (Sweden)

    A. Mahmoudi

    2016-01-01

    Full Text Available This work presents simulated output characteristics of gas sensor transistors based on graphene nanoribbon (GNRFET. The device studied in this work is a new generation of gas sensing devices, which are easy to use, ultracompact, ultrasensitive, and highly selective. We will explain how the exposure to the gas changes the conductivity of graphene nanoribbon. The equations of the GNRFET gas sensor model include the Poisson equation in the weak nonlocality approximation with proposed sensing parameters. As we have developed this model as a platform for a gas detection sensor, we will analyze the current-voltage characteristics after exposure of the GNRFET nanosensor device to NH3 gas. A sensitivity of nearly 2.7% was indicated in our sensor device after exposure of 1 ppm of NH3. The given results make GNRFET the right candidate for use in gas sensing/measuring appliances. Thus, we will investigate the effect of the channel length on the ON- and OFF-current.

  3. Spin-Related Micro-Photoluminescence in Fe3+ Doped ZnSe Nanoribbons

    Directory of Open Access Journals (Sweden)

    Lipeng Hou

    2016-12-01

    Full Text Available Spin-related emission properties have important applications in the future information technology; however, they involve microscopic ferromagnetic coupling, antiferromagnetic or ferrimagnetic coupling between transition metal ions and excitons, or d state coupling with phonons is not well understood in these diluted magnetic semiconductors (DMS. Fe3+ doped ZnSe nanoribbons, as a DMS example, have been successfully prepared by a thermal evaporation method. Their power-dependent micro-photoluminescence (PL spectra and temperature-dependent PL spectra of a single ZnSe:Fe nanoribbon have been obtained and demonstrated that alio-valence ion doping diminishes the exciton magnetic polaron (EMP effect by introducing exceeded charges. The d-d transition emission peaks of Fe3+ assigned to the 4T2 (G → 6A1 (S transition at 553 nm and 4T1 (G → 6A1 (S transition at 630 nm in the ZnSe lattice have been observed. The emission lifetimes and their temperature dependences have been obtained, which reflected different spin–phonon interactions. There exists a sharp decrease of PL lifetime at about 60 K, which hints at a magnetic phase transition. These spin–spin and spin–phonon interaction related PL phenomena are applicable in the future spin-related photonic nanodevices.

  4. Optimization of the synthesis of alpha-MoO3 nanoribbons and hydrodesulfurization (HDS) catalyst test.

    Science.gov (United States)

    Paraguay-Delgado, F; Albiter, M A; Huirache-Acuña, R; Verde, Y; Alonso-Nuñez, G

    2007-10-01

    An optimized process for synthesis of alpha-MoO3 nanoribbons characterized by uniform morphology and composition was carried out. The optimized process turned out to be the aging of a precursor of an aqueous solution of ammonium heptamolybdate for a week under constant stirring at 333 K; followed by hydrothermal treatment for 36 h up to 48 h at 473 K. The dimensions of the nanoribbons were between 5 and 10 microm in length and a width between 100 and 600 nm. The thickness was between 60 and 200 nm. This material was tested for hydrodesulfurization (HDS) of dibenzothiophene (DBT) by in situ activation and showed its catalytic activities to be similar to those of unsupported MoS2 catalysts. The structure and morphology of these materials was characterized by analytical transmission electron microscopy, scanning electron microscopy, and X-ray diffraction using the Rietveld method to determine the quantitative crystallographic phases. A chemical semiquantitative analysis was carried out by energy dispersive spectroscopy and a qualitative analysis was carried out by electron energy loss spectroscopy.

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

    Science.gov (United States)

    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.

  6. Synthesis of short graphene oxide nanoribbons for improved biomarker detection of Parkinson's disease.

    Science.gov (United States)

    Sun, Chia-Liang; Su, Chun-Hao; Wu, Jhing-Jhou

    2015-05-15

    We demonstrate the microwave-assisted synthesis of short graphene oxide nanoribbons (GONRs) through unzipping cut multiwalled carbon nanotubes (MWCNTs). Transmission electron microscopy and dynamic light scattering spectroscopy were used to examine the length, size, and morphology, i. e. unzipping level, of our various products. The nanotube core and nanoribbon shell can be observed from short GONRs via a modified unzipping recipe. Then the short GONRs were adopted to modify the glassy carbon electrode for the electrochemical detection of ascorbic acid (AA), uric acid (UA), and dopamine (DA). Compared to other nanomaterials, cyclic voltammograms of short GONRs show higher anodic oxidation currents for AA, UA, and DA. The detection limits of three analytes are 26, 98, and 24 nM, respectively, in amperometric current-time measurements. Especially, the sensitivity for DA is improved to be 40.86 μA μM(-1) cm(-2). The improved detection signals are due to the increased active sites of the open ends of short GONRs. Moreover, the width side of short GONRs could be more active than their length side. All above-mentioned results reveal that the short GONRs can provide a novel platform for electrochemically biomarker detection of Parkinson's disease.

  7. Stable two-dimensional conductance switch of polyaniline molecule connecting to graphene nanoribbons.

    Science.gov (United States)

    Fan, Zhi-Qiang; Chen, Ke-Qiu

    2014-08-07

    Incorporating the characteristics of the single-layer graphene nanoribbon and the polyaniline molecule, we theoretically design a two-dimensional molecular device and investigate its transport properties by applying nonequilibrium Green's functions in combination with density-functional theory. The calculated results reveal that the arrangements of frontier molecular orbitals and the energy gap between the HOMO and the LUMO of an isolated polyaniline molecule are different between its two isolable states: full reduced leucoemeraldine base and full oxidized pernigraniline base. When a polyaniline molecule connects to two graphene nanoribbons as a two-dimensional molecular device, the conductance of its full oxidized pernigraniline base is much higher than the conductance of its full reduced leucoemeraldine base. The switch ratios of two bases' currents almost maintain a constant value before 0.8 V. In other word, the conductance switch behavior in our device is stable in a big bias region which makes it have a broader application in future logic and memory devices.

  8. Inhomogeneous strain-induced half-metallicity in bent zigzag graphene nanoribbons

    Science.gov (United States)

    Zhang, Dong-Bo; Wei, Su-Huai

    2017-08-01

    Realization of half-metallicity in low dimensional materials is a fundamental challenge for nano spintronics, which is a critical component for next-generation information technology. Using the method of generalized Bloch theorem, we show that an in-plane bending can induce inhomogeneous strains, which in turn lead to spin-splitting in zigzag graphene nanoribbons and results in the highly desired half-metallic state. Unlike the previously proposed scheme that requires unrealistically strong external electric fields, the obtained half-metallicity with sizeable half-metallic gap and high energetic stability of magnetic order of edge states requires only relatively low-level strain in the in-plane bending. Given the superior structural flexibility of graphene and the recent experimental advances in controllable synthesis of graphene nanoribbons, our design provides a hitherto most practical approach to the realization of half-metallicity in low dimensional systems. This work, thus paves a way towards the design of nanoscale spintronic devices through strain engineering.

  9. Scaling Effect of Phosphorene Nanoribbon - Uncovering the Origin of Asymmetric Current Transport

    Science.gov (United States)

    Lv, Yawei; Chang, Sheng; Huang, Qijun; Wang, Hao; He, Jin

    2016-11-01

    In this paper, phosphorene nanoribbons (PNRs) are theoretically studied using a multiscale simulation flow from the ab initio level to the tight binding (TB) level. The scaling effects of both armchair PNRs (aPNRs) and zigzag PNRs (zPNRs) from material properties to device properties are explored. The much larger effective mass of holes compared to that of electrons in zPNR is responsible for its asymmetric transport. However, in aPNR, not only the effective mass difference but also the non-equal density of state (DOS) distributions near valence band maximum (VBM) and conduction band minimum (CBM) lead to the asymmetric transport. This non-equal distribution phenomenon is caused by energy band degeneracies near the VBM. Based on these two different mechanisms, PNRs’ asymmetric transport characteristics at the device level are explained, and it is shown that this behaviour can be ameliorated well by reducing the ribbon width in an aPNR MOSFET. Calculation results also indicate that aPNR’s effective mass is comparable to that of a graphene nanoribbon (GNR) at the same bandgap; however, aPNR’s band gap variation is more stable and regular than that of GNR, making it a good candidate for use in low-dimensional nano devices.

  10. Characteristics of CVD graphene nanoribbon formed by a ZnO nanowire hardmask

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Chang Goo; Kang, Jang Won; Lee, Seung Yong; Hwang, Hyeon Jun; Lee, Young Gon; Park, Seong-Ju; Lee, Byoung Hun [School of Material Science and Engineering, Gwangju Institute of Science and Technology, Oryong-dong 1, Buk-gu, Gwangju, 500-712 (Korea, Republic of); Lee, Sang Kyung; Cho, Chun Hum [Department of Nanobio Materials and Electronics, Gwangju Institute of Science and Technology, Oryong-dong 1, Buk-gu, Gwangju, 500-712 (Korea, Republic of); Heo, Jinseong; Chung, Hyun-Jong; Yang, Heejun [Semiconductor Devices Lab, Samsung Advanced Institute of Technology, Yongin (Korea, Republic of); Seo, Sunae [Department of Physics, Sejong University, Gunja-Dong, Kwanggin-gu, Seoul (Korea, Republic of); Ko, Ki Young; Ahn, Jinho, E-mail: bhl@gist.ac.kr [Division of Materials Science and Engineering, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul, 133-791 (Korea, Republic of)

    2011-07-22

    A graphene nanoribbon (GNR) is an important basic structure to open a bandgap in graphene. The GNR processes reported in the literature are complex, time-consuming, and expensive; moreover, the device yield is relatively low. In this paper, a simple new process to fabricate a long and straight graphene nanoribbon with a high yield has been proposed. This process utilizes CVD graphene substrate and a ZnO nanowire as the hardmask for patterning. 8 {mu}m long and 50-100 nm wide GNRs were successfully demonstrated in high density without any trimming, and {approx} 10% device yield was realized with a top-down patterning process. After passivating the surfaces of the GNRs using a low temperature atomic layer deposition (ALD) of Al{sub 2}O{sub 3}, high performance GNR MOSFETs with symmetric drain-current-gate-voltage (I{sub d}-V{sub g}) curves were demonstrated and a field effect mobility up to {approx} 1200 cm{sup 2} V{sup -1} s{sup -1} was achieved at V{sub d} = 10 mV.

  11. Toward sensitive graphene nanoribbon-nanopore devices by preventing electron beam-induced damage.

    Science.gov (United States)

    Puster, Matthew; Rodríguez-Manzo, Julio A; Balan, Adrian; Drndić, Marija

    2013-12-23

    Graphene-based nanopore devices are promising candidates for next-generation DNA sequencing. Here we fabricated graphene nanoribbon-nanopore (GNR-NP) sensors for DNA detection. Nanopores with diameters in the range 2-10 nm were formed at the edge or in the center of graphene nanoribbons (GNRs), with widths between 20 and 250 nm and lengths of 600 nm, on 40 nm thick silicon nitride (SiN(x)) membranes. GNR conductance was monitored in situ during electron irradiation-induced nanopore formation inside a transmission electron microscope (TEM) operating at 200 kV. We show that GNR resistance increases linearly with electron dose and that GNR conductance and mobility decrease by a factor of 10 or more when GNRs are imaged at relatively high magnification with a broad beam prior to making a nanopore. By operating the TEM in scanning TEM (STEM) mode, in which the position of the converged electron beam can be controlled with high spatial precision via automated feedback, we were able to prevent electron beam-induced damage and make nanopores in highly conducting GNR sensors. This method minimizes the exposure of the GNRs to the beam before and during nanopore formation. The resulting GNRs with unchanged resistances after nanopore formation can sustain microampere currents at low voltages (∼50 mV) in buffered electrolyte solution and exhibit high sensitivity, with a large relative change of resistance upon changes of gate voltage, similar to pristine GNRs without nanopores.

  12. Tunable SnO2 Nanoribbon by Electric Fields and Hydrogen Passivation

    Directory of Open Access Journals (Sweden)

    Xin-Lian Chen

    2017-01-01

    Full Text Available Under external transverse electronic fields and hydrogen passivation, the electronic structure and band gap of tin dioxide nanoribbons (SnO2NRs with both zigzag and armchair shaped edges are studied by using the first-principles projector augmented wave (PAW potential with the density function theory (DFT framework. The results showed that the electronic structures of zigzag and armchair edge SnO2NRs exhibit an indirect semiconducting nature and the band gaps demonstrate a remarkable reduction with the increase of external transverse electronic field intensity, which demonstrate a giant Stark effect. The value of the critical electric field for bare Z-SnO2NRs is smaller than A-SnO2NRs. In addition, the different hydrogen passivation nanoribbons (Z-SnO2NRs-2H and A-SnO2NRs-OH show different band gaps and a slightly weaker Stark effect. The band gap of A-SnO2NRs-OH obviously is enhanced while the Z-SnO2NRs-2H reduce. Interestingly, the Z-SnO2NRs-OH presented the convert of metal-semiconductor-metal under external transverse electronic fields. In the end, the electronic transport properties of the different edges SnO2NRs are studied. These findings provide useful ways in nanomaterial design and band engineering for spintronics.

  13. Solution-Synthesized Chevron Graphene Nanoribbons Exfoliated onto H:Si(100).

    Science.gov (United States)

    Radocea, Adrian; Sun, Tao; Vo, Timothy H; Sinitskii, Alexander; Aluru, Narayana R; Lyding, Joseph W

    2017-01-11

    There has been tremendous progress in designing and synthesizing graphene nanoribbons (GNRs). The ability to control the width, edge structure, and dopant level with atomic precision has created a large class of accessible electronic landscapes for use in logic applications. One of the major limitations preventing the realization of GNR devices is the difficulty of transferring GNRs onto nonmetallic substrates. In this work, we developed a new approach for clean deposition of solution-synthesized atomically precise chevron GNRs onto H:Si(100) under ultrahigh vacuum. A clean transfer allowed ultrahigh-vacuum scanning tunneling microscopy (STM) to provide high-resolution imaging and spectroscopy and reveal details of the electronic structure of chevron nanoribbons that have not been previously reported. We also demonstrate STM nanomanipulation of GNRs, characterization of multilayer GNR cross-junctions, and STM nanolithography for local depassivation of H:Si(100), which allowed us to probe GNR-Si interactions and revealed a semiconducting-to-metallic transition. The results of STM measurements were shown to be in good agreement with first-principles computational modeling.

  14. Modeling comparison of graphene nanoribbon field effect transistors with single vacancy defect

    Science.gov (United States)

    Nazari, Atefeh; Faez, Rahim; Shamloo, Hassan

    2016-09-01

    In this paper, some important circuit parameters of a monolayer armchair graphene nanoribbon (GNR) field effect transistor (GNRFET) in different structures are studied. Also, these structures are Ideal with no defect, 1SVGNRFET with one single vacancy defect, and 3SVsGNRFET with three SV defects. Moreover, the circuit parameters are extracted based on Semi Classical Top of Barrier Modeling (SCTOBM) method. The I-V characteristics simulations of Ideal GNRFET, 1SVGNRFET and 3SVsGNRFET are used for comparing with SCTOBM method. These simulations are solved with Poisson-Schrodinger equation self-consistently by using Non- Equilibrium Green Function (NEGF) and in the real space approach. The energy band structure of nanoribbon is obtained by using nearest-neighbour interactions within an approximation tight-binding method. The modeling results show that 3SVsGNRFET in comparison to 1SVGNRFET has higher transconductance, cut-off frequency, electron average velocity, mobile charge, and quantum capacitance. Also, 3SVsGNRFET has smaller gate, drain and source capacitances than Ideal GNRFET. Furthermore, Drain-induced barrier lowering (DIBL) and sub-threshold swing (SS) of 3SVsGNRFET are smaller than 1SVGNRFET.

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

    Science.gov (United States)

    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.

  16. Epitaxial diamond-hexagonal silicon nano-ribbon growth on (001) silicon

    Science.gov (United States)

    Qiu, Y.; Bender, H.; Richard, O.; Kim, M.-S.; van Besien, E.; Vos, I.; de Potter de Ten Broeck, M.; Mocuta, D.; Vandervorst, W.

    2015-08-01

    Silicon crystallizes in the diamond-cubic phase and shows only a weak emission at 1.1 eV. Diamond-hexagonal silicon however has an indirect bandgap at 1.5 eV and has therefore potential for application in opto-electronic devices. Here we discuss a method based on advanced silicon device processing to form diamond-hexagonal silicon nano-ribbons. With an appropriate temperature anneal applied to densify the oxide fillings between silicon fins, the lateral outward stress exerted on fins sandwiched between wide and narrow oxide windows can result in a phase transition from diamond-cubic to diamond-hexagonal Si at the base of these fins. The diamond-hexagonal slabs are generally 5-8 nm thick and can extend over the full width and length of the fins, i.e. have a nano-ribbon shape along the fins. Although hexagonal silicon is a metastable phase, once formed it is found being stable during subsequent high temperature treatments even during process steps up to 1050 ºC.

  17. Sandwich beam model for free vibration analysis of bilayer graphene nanoribbons with interlayer shear effect

    Science.gov (United States)

    Nazemnezhad, Reza; Shokrollahi, Hassan; Hosseini-Hashemi, Shahrokh

    2014-05-01

    In this study, sandwich beam model (SM) is proposed for free vibration analysis of bilayer graphene nanoribbons (BLGNRs) with interlayer shear effect. This model also takes into account the intralayer (in-plane) stretch of graphene nanoribbons. The molecular dynamics (MD) simulations using the software LAMMPS and Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential are done to validate the accuracy of the sandwich model results. The MD simulation results include the two first frequencies of cantilever BLGNRs with different lengths and two interlayer shear moduli, i.e., 0.25 and 4.6 GPa. These two interlayer shear moduli, 0.25 and 4.6 GPa, can be obtained by sliding a small flake of graphene on a large graphene substrate when the parameter of E_LJ term in AIREBO potential, epsilon_CC, is set to be 2.84 and 45.44 meV, respectively. The SM results for a wide range of bending rigidity values show that the proposed model, i.e., the SM, predicts much better than the previous beam model in which the intralayer stretch is ignored. In addition, it is observed that the model can properly predict the natural frequencies of BLGNRs for various values of the bending rigidity and the interlayer shear modulus.

  18. Sandwich beam model for free vibration analysis of bilayer graphene nanoribbons with interlayer shear effect

    Energy Technology Data Exchange (ETDEWEB)

    Nazemnezhad, Reza, E-mail: rnazemnezhad@iust.ac.ir, E-mail: rnazemnezhad@du.ac.ir [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Shokrollahi, Hassan [School of Mechanical Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Hosseini-Hashemi, Shahrokh [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Center of Excellence in Railway Transportation, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of)

    2014-05-07

    In this study, sandwich beam model (SM) is proposed for free vibration analysis of bilayer graphene nanoribbons (BLGNRs) with interlayer shear effect. This model also takes into account the intralayer (in-plane) stretch of graphene nanoribbons. The molecular dynamics (MD) simulations using the software LAMMPS and Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential are done to validate the accuracy of the sandwich model results. The MD simulation results include the two first frequencies of cantilever BLGNRs with different lengths and two interlayer shear moduli, i.e., 0.25 and 4.6 GPa. These two interlayer shear moduli, 0.25 and 4.6 GPa, can be obtained by sliding a small flake of graphene on a large graphene substrate when the parameter of E-LJ term in AIREBO potential, epsilon-CC, is set to be 2.84 and 45.44 meV, respectively. The SM results for a wide range of bending rigidity values show that the proposed model, i.e., the SM, predicts much better than the previous beam model in which the intralayer stretch is ignored. In addition, it is observed that the model can properly predict the natural frequencies of BLGNRs for various values of the bending rigidity and the interlayer shear modulus.

  19. Electric-field-induced destruction of quasi-Landau levels in bilayer graphene nanoribbons.

    Science.gov (United States)

    Chung, Hsien-Ching; Su, Wu-Pei; Lin, Ming-Fa

    2013-01-21

    The magneto-electronic properties of bilayer zigzag graphene nanoribbons are investigated by the Peierls tight-binding method. In the presence of magnetic fields, Landau quantization leads to the formation of Landau subbands. For the bilayer nanoribbons, these subbands are partially dispersionless in k-space and are called quasi-Landau levels (QLLs). Perpendicular electric fields, serving as the top gate, push the QLLs to higher state energy and split the flat subbands. From the evidence of band structure and density of states, the QLLs remain dispersionless and the corresponding peaks are still the main structure of density of states, which means that the material properties related to the QLLs are unchanged. However, the wave functions present a totally different evidence that the Landau wave functions are severely mixed, and the corresponding material properties would be strongly affected or destroyed. The wave functions provide an effective way to comprehend the characteristics of the flat subbands and Landau subbands. The energy spectra, density of states, and wave functions are discussed in detail.

  20. The effect of magnetic field and disorders on the electronic transport in graphene nanoribbons.

    Science.gov (United States)

    Kumar, S Bala; Jalil, M B A; Tan, S G; Liang, Gengchiau

    2010-09-22

    We developed a unified mesoscopic transport model for graphene nanoribbons, which combines the nonequilibrium Green's function (NEGF) formalism with the real-space π-orbital model. Based on this model, we probe the spatial distribution of electrons under a magnetic field, in order to obtain insights into the various signature Hall effects in disordered armchair graphene nanoribbons (AGNR). In the presence of a uniform perpendicular magnetic field (B[Symbol: see text]-field), a perfect AGNR shows three distinct spatial current profiles at equilibrium, depending on its width. Under nonequilibrium conditions (i.e. in the presence of an applied bias), the net electron flow is restricted to the edges and occurs in opposite directions depending on whether the Fermi level lies within the valence or conduction band. For electrons at an energy level below the conduction window, the B[Symbol: see text]-field gives rise to local electron flux circulation, although the global flux is zero. Our study also reveals the suppression of electron backscattering as a result of the edge transport which is induced by the B[Symbol: see text]-field. This phenomenon can potentially mitigate the undesired effects of disorder, such as bulk and edge vacancies, on the transport properties of AGNR. Lastly, we show that the effect of [Formula: see text]-field on electronic transport is less significant in the multimode compared to the single-mode electron transport.

  1. Monte Carlo study of magnetic behavior of core–shell nanoribbon

    Energy Technology Data Exchange (ETDEWEB)

    Drissi, L.B., E-mail: ldrissi@fsr.ac.ma [Lab-PHE, Modeling and Simulations, Faculty of Science, Mohammed V University, Rabat (Morocco); Zriouel, S. [Lab-PHE, Modeling and Simulations, Faculty of Science, Mohammed V University, Rabat (Morocco); Bahmad, L. [Lab de Magnétisme et PHE, Faculty of Science, Mohammed V University, Rabat (Morocco)

    2015-01-15

    Using Monte Carlo simulations within Ising model, we study the magnetic properties and the hysteresis loops of a core–shell nanoribbon, made of spins σ=1/2 core surrounded by spins S=1 shell with anti-ferromagnetic intermediate coupling. We analyze the ground-state phase diagrams in the presence of external magnetic and crystal fields. We show the existence of the compensation temperature and its dependence on the σ–S and S–S couplings. We investigate the effects of the crystal-field, temperature, shell interactions and intermediate coupling on the hysteresis curves. A number of characteristic behaviors are found, such as the occurrence of single and triple hysteresis loops for appropriate values of the system parameters. The obtained results are in good agreement with available experimental and theoretical works. - Highlights: • We study mixed spin (1/2, 1) core–shell nanoribbon using Monte Carlo calculations. • We show the effects of crystal and magnetic fields on thermodynamic quantities. • We give the conditions for the occurrence of compensation temperature. • We describe the influence of the system's parameters on the hysteresis curves.

  2. Magnetic defects in chemically converted graphene nanoribbons: electron spin resonance investigation

    Directory of Open Access Journals (Sweden)

    Srinivasa Rao Singamaneni

    2014-04-01

    Full Text Available Electronic spin transport properties of graphene nanoribbons (GNRs are influenced by the presence of adatoms, adsorbates and edge functionalization. To improve the understanding of the factors that influence the spin properties of GNRs, local (element spin-sensitive techniques such as electron spin resonance (ESR spectroscopy are important for spintronics applications. Here, we present results of multi-frequency continuous wave (CW, pulse and hyperfine sublevel correlation (HYSCORE ESR spectroscopy measurements performed on oxidatively unzipped graphene nanoribbons (GNRs, which were subsequently chemically converted (CCGNRs with hydrazine. ESR spectra at 336 GHz reveal an isotropic ESR signal from the CCGNRs, of which the temperature dependence of its line width indicates the presence of localized unpaired electronic states. Upon functionalization of CCGNRs with 4-nitrobenzene diazonium tetrafluoroborate, the ESR signal is found to be 2 times narrower than that of pristine ribbons. NH3 adsorption/desorption on CCGNRs is shown to narrow the signal, while retaining the signal intensity and g value. The electron spin-spin relaxation process at 10 K is found to be characterized by slow (163 ns and fast (39 ns components. HYSCORE ESR data demonstrate the explicit presence of protons and 13C atoms. With the provided identification of intrinsic point magnetic defects such as proton and 13C has been reported, which are roadblocks to spin travel in graphene-based materials, this work could help in advancing the present fundamental understanding on the edge-spin (or magnetic-based transport properties of CCGNRs.

  3. Zigzag-Shaped Superlattices on the Basis of Graphene Nanoribbons: Structure and Electronic Properties

    Science.gov (United States)

    Saroka, V. A.; Batrakov, K. G.

    2016-09-01

    The paper focuses on superlattices consisting of two coplanar fragments of one-layer graphene nanoribbons that have different width and are connected at an angle. Classification of such superlattices was carried out; their electronic properties were studied using the tight-binding method. It was demonstrated that in superlattices consisting of two fragments of graphene nanoribbons with armchair edges connected at an angle of 60°, the band gap can be regulated by the number of dimeric carbon atom chains of one of the fragments. In that case one can observe a periodic dependence of the band gap on the number of chains with a characteristic period equal to three dimeric chains. The number of dimeric chains of the second superlattice fragment regulates the average band gap value near which the periodic oscillations occur, as well as the amplitude of those oscillations. Therefore, one can accomplish a sufficiently precise band gap tuning for such structures. Such tuning can find its wide application in the booming carbon nanoelectronics industry when creating generators, amplifiers and sensors in the nanochains.

  4. On-surface synthesis of graphene nanoribbons with zigzag edge topology.

    Science.gov (United States)

    Ruffieux, Pascal; Wang, Shiyong; Yang, Bo; Sánchez-Sánchez, Carlos; Liu, Jia; Dienel, Thomas; Talirz, Leopold; Shinde, Prashant; Pignedoli, Carlo A; Passerone, Daniele; Dumslaff, Tim; Feng, Xinliang; Müllen, Klaus; Fasel, Roman

    2016-03-24

    Graphene-based nanostructures exhibit electronic properties that are not present in extended graphene. For example, quantum confinement in carbon nanotubes and armchair graphene nanoribbons leads to the opening of substantial electronic bandgaps that are directly linked to their structural boundary conditions. Nanostructures with zigzag edges are expected to host spin-polarized electronic edge states and can thus serve as key elements for graphene-based spintronics. The edge states of zigzag graphene nanoribbons (ZGNRs) are predicted to couple ferromagnetically along the edge and antiferromagnetically between the edges, but direct observation of spin-polarized edge states for zigzag edge topologies--including ZGNRs--has not yet been achieved owing to the limited precision of current top-down approaches. Here we describe the bottom-up synthesis of ZGNRs through surface-assisted polymerization and cyclodehydrogenation of specifically designed precursor monomers to yield atomically precise zigzag edges. Using scanning tunnelling spectroscopy we show the existence of edge-localized states with large energy splittings. We expect that the availability of ZGNRs will enable the characterization of their predicted spin-related properties, such as spin confinement and filtering, and will ultimately add the spin degree of freedom to graphene-based circuitry.

  5. Magnetic defects in chemically converted graphene nanoribbons: electron spin resonance investigation

    Energy Technology Data Exchange (ETDEWEB)

    Singamaneni, Srinivasa Rao, E-mail: ssingam@ncsu.edu [INPAC – Institute for Nanoscale Physics and Chemistry, Semiconductor Physics Laboratory, K.U. Leuven, Celestijnenlaan 200D, B–3001 Leuven (Belgium); Materials Science Division, Army Research Office, Research Triangle Park, North Carolina 27709 (United States); Department of Material Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Stesmans, Andre [INPAC – Institute for Nanoscale Physics and Chemistry, Semiconductor Physics Laboratory, K.U. Leuven, Celestijnenlaan 200D, B–3001 Leuven (Belgium); Tol, Johan van [National High Magnetic Field Laboratory, Florida State University, 1800 E. Paul Dirac Drive, Tallahassee, Florida 32310 (United States); Kosynkin, D. V. [Department of Chemistry, Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Tour, James M. [Department of Chemistry, Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Department of Mechanical Engineering and Materials Science, Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005, USA. (United States)

    2014-04-15

    Electronic spin transport properties of graphene nanoribbons (GNRs) are influenced by the presence of adatoms, adsorbates and edge functionalization. To improve the understanding of the factors that influence the spin properties of GNRs, local (element) spin-sensitive techniques such as electron spin resonance (ESR) spectroscopy are important for spintronics applications. Here, we present results of multi-frequency continuous wave (CW), pulse and hyperfine sublevel correlation (HYSCORE) ESR spectroscopy measurements performed on oxidatively unzipped graphene nanoribbons (GNRs), which were subsequently chemically converted (CCGNRs) with hydrazine. ESR spectra at 336 GHz reveal an isotropic ESR signal from the CCGNRs, of which the temperature dependence of its line width indicates the presence of localized unpaired electronic states. Upon functionalization of CCGNRs with 4-nitrobenzene diazonium tetrafluoroborate, the ESR signal is found to be 2 times narrower than that of pristine ribbons. NH{sub 3} adsorption/desorption on CCGNRs is shown to narrow the signal, while retaining the signal intensity and g value. The electron spin-spin relaxation process at 10 K is found to be characterized by slow (163 ns) and fast (39 ns) components. HYSCORE ESR data demonstrate the explicit presence of protons and {sup 13}C atoms. With the provided identification of intrinsic point magnetic defects such as proton and {sup 13}C has been reported, which are roadblocks to spin travel in graphene-based materials, this work could help in advancing the present fundamental understanding on the edge-spin (or magnetic)-based transport properties of CCGNRs.

  6. Pi and sigma double conjugations in boronyl polyboroene nanoribbons: Bn(BO)2- and Bn(BO)2 (n = 5-12)

    Science.gov (United States)

    Zhai, Hua-Jin; Chen, Qiang; Bai, Hui; Lu, Hai-Gang; Li, Wei-Li; Li, Si-Dian; Wang, Lai-Sheng

    2013-11-01

    A series of boron dioxide clusters, BxO2- (x = 7-14), have been produced and investigated using photoelectron spectroscopy and quantum chemical calculations. The dioxide clusters are shown to possess elongated ladder-like structures with two terminal boronyl (BO) groups, forming an extensive series of boron nanoribbons, Bn(BO)2- (n = 5-12). The electron affinities of Bn(BO)2 exhibit a 4n periodicity, indicating that the rhombic B4 unit is the fundamental building block in the nanoribbons. Both π and σ conjugations are found to be important in the unique bonding patterns of the boron nanoribbons. The π conjugation in these clusters is analogous to the polyenes (aka polyboroenes), while the σ conjugation plays an equally important role in rendering the stability of the nanoribbons. The concept of σ conjugation established here has no analogues in hydrocarbons. Calculations suggest the viability of even larger boronyl polyboroenes, B16(BO)2 and B20(BO)2, extending the boron nanoribbons to ˜1.5 nm in length or possibly even longer. The nanoribbons form a new class of nanowires and may serve as precursors for a variety of boron nanostructures.

  7. [Study on the preparation and spectral characteristics of Bi2S3 nanoribbons].

    Science.gov (United States)

    Lu, Juan; Han, Qiao-Feng; Yang, Xu-Jie; Lu, Lu-De; Wang, Xin

    2009-01-01

    In the present study, bismuth sulfide (Bi2S3) nanoribbons were prepared by the hydrothermal method using bismuth nitrate (Bi(NO3)3 x 5H2O), thioacetamide (C2H5NS) and nitrilotriacetic acid (C6H9NO6) as raw materials at 180 degrees C for 12 h. The reaction time was largely reduced and the route has been unreported. The constituent, structure and morphology of the products were characterized by XRD, XPS and TEM, respectively. The powder X-ray diffraction (XRD) pattern shows that the Bi2S3 crystals belong to the orthorhombic phase (JCPDS:17-320) with calculated lattice constants a = 1.1106 nm, b = 1.0993 nm and c = 0.3892 nm, which are consistent with the reported values (a = 1.1149 nm, b = 1.1304 nm and c = 0.3981 nm). Transmission electron microscopic (TEM) studies reveal that the appearance of as-prepared Bi2S3 is nanoribbon-like with the typical width of about 100 nm; and the high-resolution transmission electron microscope (HRTEM) image shows that the crystal grows along the y axis. The quantification of X-ray photoelectron spectra (XPS) analysis peaks gives an atomic ratio of 2 : 3 for Bi : S, which is consistent with the given formula of Bi2S3. Furthermore, the Raman and UV-Vis spectra of the product were also studied. Compared with bulk Bi2S3 (236 cm(-1)), the Raman absorption band of the Bi2S3 nanoribbons (195 cm(-1)) red-shifts 41 cm(-1), which is because of the surface effect of nanomaterials. Furthermore, the product has absorption at the wavelength of about 450 nm in the UV-Vis region. The direct bang gap energy (Eg) was estimated to be about 1.58 eV(Eg of the bulk Bi2S3 is 1.3 eV), which indicates that the product has potential application in the optical and electrical areas.

  8. A molecular simulation analysis of producing monatomic carbon chains by stretching ultranarrow graphene nanoribbons

    CERN Document Server

    Qi, Zenan; Zhou, Xiaozhou; Sun, Zehui; Park, Harold S; Wu, Hengan; 10.1088/0957-4484/21/26/265702

    2012-01-01

    Atomistic simulations were utilized to develop fundamental insights regarding the elongation process starting from ultranarrow graphene nanoribbons (GNRs) and resulting in monatomic carbon chains (MACCs). There are three key findings. First, we demonstrate that complete, elongated, and stable MACCs with fracture strains exceeding 100% can be formed from both ultranarrow armchair and zigzag GNRs. Second, we demonstrate that the deformation processes leading to the MACCs have strong chirality dependence. Specifically, armchair GNRs first form DNA-like chains, then develop into monatomic chains by passing through an intermediate configuration in which monatomic chain sections are separated by two-atom attachments. In contrast, zigzag GNRs form rope-ladder-like chains through a process in which the carbon hexagons are first elongated into rectangles; these rectangles eventually coalesce into monatomic chains through a novel triangle-pentagon deformation structure under further tensile deformation. Finally, we sho...

  9. The electronic transport characteristics of hybridized hexagon beryllium sulfide and graphene nanoribbons

    Science.gov (United States)

    Wang, Lihua; Ding, Bingjun; Guo, Yong

    2017-01-01

    Hybridized Z-BexSyCz (x + y + z = 16) systems connected by zigzag beryllium-sulfide (BeS) and graphene nanoribbons are theoretically designed, and their electronic transport characteristics are explored by first-principles approach. For the hybridized systems with unequal number of x and y, i.e. z is an odd number, an exceptional negative differential resistance (NDR) property occurs. However, for the hybridized systems including an even number of zigzag carbon chains, namely x equal to y, an interesting current-limited behavior happens. Meanwhile, the NDR phenomenon disappears. The spin transport properties of these hybridized Z-BexSyCz systems with parallel magnetism configuration also reveal the above odd-even dependence conductance behavior.

  10. Molecular dynamics simulation for interlayer interactions of graphene nanoribbons with multiple layers

    Science.gov (United States)

    Nazemnezhad, Reza; Zare, Mojtaba; Hosseini-Hashemi, Shahrokh; Shokrollahi, Hassan

    2016-10-01

    A new study is conducted with the aid of molecular dynamics (MD) simulation to investigate the effect of shear modulus value of the interlayer van der Waals (vdWs) interactions on free vibration of cantilever multi-layer graphene nanoribbons (MLGNRs). The corresponding calibrated nonlocal parameters of the nonlocal model are obtained accordingly. The vdWs interactions are treated as the cores between every two adjacent graphene layers and their equivalent shear modulus is calculated using MD simulation. The obtained resonant frequencies via the nonlocal sandwich model are compared to the MD simulation results to calibrate the nonlocal parameter. Results reveal a strong conclusion that the calibrated nonlocal parameter is dependent on the values of interlayer shear modulus.

  11. Spin seebeck effect and thermal colossal magnetoresistance in graphene nanoribbon heterojunction.

    Science.gov (United States)

    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.

  12. Contact conductance of a graphene nanoribbon with its graphene nano-electrodes

    Science.gov (United States)

    Srivastava, Saurabh; Kino, Hiori; Joachim, Christian

    2016-04-01

    Electronically contacted between two graphene nano-electrodes, the contact conductance (G0) of a graphene nanoribbon (GNR) molecular wire is calculated using mono-electronic Elastic Scattering Quantum Chemistry (ESQC) theory. Different nano-electrode contact geometries are considered ranging from a top face to face van der Waals contact to an adiabatic funnel like planar chemical bonding. The Tamm state contributions to the GNR-graphene nano-electrode electronic interactions are discussed as a function of the molecular orbital hybridization. Contrary to the common belief, the adiabatic-like triangle shaped contact nano-graphene electrode does not provide a large G0 as compared to the abrupt contact geometry. The abrupt contact geometry is even worth than a top face to face van der Waals electronic contact with a metal.

  13. Negative dynamic conductivity of a current-driven array of graphene nanoribbons

    Science.gov (United States)

    Mikhailov, S. A.; Savostianova, N. A.; Moskalenko, A. S.

    2016-07-01

    We consider a periodic array of graphene nanoribbons under the action of a strong dc electric field E0 and an external electromagnetic excitation with the frequency ω and the lateral wave vector q . Solving the quasiclassical Boltzmann kinetic equation and calculating the surface dynamic conductivity σ2 D(q ,ω ,E0) and the absorption coefficient of such a system we show that the real part of the conductivity and the absorption coefficient may become negative under certain conditions. Physically this corresponds to the amplification of the electromagnetic waves at the expense of the energy of the direct current source. The results are discussed in connection with experiments on the surface acoustic waves and on the Smith-Purcell-type graphene-based terahertz emitter.

  14. Gate-controlled mid-infrared light bending with aperiodic graphene nanoribbons array

    CERN Document Server

    Carrasco, Eduardo; Mosig, Juan R; Low, Tony; Perruisseau-Carrier, Julien

    2014-01-01

    Graphene plasmonic nanostructures enable subwavelength confinement of electromagnetic energy from the mid-infrared down to the terahertz frequencies. By exploiting the spectrally varying light scattering phase at vicinity of the resonant frequency of the plasmonic nanostructure, it is possible to control the angle of reflection of an incoming light beam. We demonstrate, through full-wave electromagnetic simulations based on Maxwell equations, the electrical control of the angle of reflection of a mid-infrared light beam by using an aperiodic array of graphene nanoribbons, whose widths are engineered to produce a spatially varying reflection phase profile that allows for the construction of a far-field collimated beam towards a predefined direction.

  15. High electrochemical properties of graphene nanoribbons-hybridized manganese dioxide as cathode material for lithium battery

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Xiangyue; Fan, Zihan; Lin, Cunli; Jia, Lina; Lin, Baiwei; Wang, Jiaqi; Hu, Xiaolin, E-mail: linamethyst@fzu.edu.cn; Zhuang, Naifeng, E-mail: nfzhuang@fzu.edu.cn [Fuzhou University, College of Chemistry (China)

    2015-02-15

    Manganese dioxide crystallite and its composite hybridized with graphene nanoribbons (GNRs) are prepared by hydrothermal method. The effects of reaction temperature and time, surfactant, and reducing Mn resource are discussed. As the cathode material for Li battery, γ-MnO{sub 2} nanowire/nanorod hybridizing with (GNRs) (γ-MnO{sub 2}/GNRs) shows a higher discharge specific capacity than it covering with carbon nanotubes or graphene sheets. In addition, the discharge specific capacity of γ-MnO{sub 2}/GNRs is much higher than those of pure β-MnO{sub 2} and compact β-MnO{sub 2}/GNRs. The effects of crystal size, morphology, and GNR hybrid on the discharge specific capacity are discussed.

  16. Present perspectives of broadband photodetectors based on nanobelts, nanoribbons, nanosheets and the emerging 2D materials

    Science.gov (United States)

    Dhanabalan, Sathish Chander; Ponraj, Joice Sophia; Zhang, Han; Bao, Qiaoliang

    2016-03-01

    Recent research on photodetectors has been mainly focused on nanostructured materials that form the building blocks of device fabrication. The selection of a suitable material with well-defined properties forms the key issue for the fabrication of photodetectors that cover different ranges of the electromagnetic spectrum. In this review, the latest progress in light detection using nanobelts, nanoribbons, nanosheets and the emerging two-dimensional (2D) materials is reviewed. Particular emphasis is placed on the detection of light by the hybrid structures of the mentioned nanostructured materials in order to enhance the efficiency of the light-matter interaction. The booming research area of black phosphorus based photo-detection is also reviewed. This review provides an overview of basic concepts and new directions towards photodetectors, and highlights potential for the future development of high performance broadband photodetectors.

  17. Limited robustness of edge magnetism in zigzag graphene nanoribbons with electrodes.

    Science.gov (United States)

    Krompiewski, S

    2014-11-21

    It is shown that apart from well-known factors, like temperature, substrate, and edge reconstruction effects, also the presence of external contacts is destructive for the formation of magnetic moments at the edges of graphene nanoribbons (GNRs). The edge magnetism gradually decreases when graphene/electrode interfaces become more and more transparent for electrons. In addition to the graphene/electrode coupling strength, the aspect ratio parameter, i.e. a width/length ratio of the GNR, is also crucial for the suppression of edge magnetism. The present theory uses a tight-binding method, based on the mean-field Hubbard Hamiltonian for π electrons, and the Green's function technique within the Landauer-Büttiker approach.

  18. First Principles Study of Electronic and Magnetic Properties of Co-Doped Armchair Graphene Nanoribbons

    Directory of Open Access Journals (Sweden)

    Biao Li

    2015-01-01

    Full Text Available Using the first principles calculations, we have studied the atomic and electronic structures of single Co atom incorporated with divacancy in armchair graphene nanoribbon (AGNR. Our calculated results show that the Co atom embedded in AGNR gives rise to significant impacts on the band structures and the FM spin configuration is the ground state. The presence of the Co doping could introduce magnetic properties. The calculated results revealed the arising of spin gapless semiconductor characteristics with doping near the edge in both ferromagnetic (FM and antiferromagnetic (AFM magnetic configurations, suggesting the robustness for potential application of spintronics. Moreover, the electronic structures of the Co-doped AGNRs are strongly dependent on the doping sites and the edge configurations.

  19. Understanding the structure and electronic properties of N-doped graphene nanoribbons upon hydrogen saturation

    Indian Academy of Sciences (India)

    Michael Mananghaya

    2014-11-01

    Structures and electronic properties of zigzag graphene nanoribbon (ZGNR) with pyridine (3NVZGNR) functionalized by Scandium (Sc) at the edge were studied through quantum chemical calculations in the formalism of density-functional theory (DFT). Pyridine-like nitrogen defects is very crucial for enhancing the Sc atom binding to the defects and is thermodynamically favoured. During Sc decoration of ZGNR there is a shift from 0.35 eV small gap semiconductor regime to that of a metal which can be used for band gap tuning by controlled saturation of Sc. ZGNR decorated with Sc can attract H2. Upon saturation of multiple H2 in quasi-molecular fashion, the metallic character is converted to semiconductors of small gap of 0.10 eV, which are predicted to be interesting materials not only for hydrogen storage but also for their band gap engineered properties.

  20. Resilience of thermal conductance in defected graphene, silicene, and boron nitride nanoribbons

    Science.gov (United States)

    Wirth, Luke J.; Osborn, Tim H.; Farajian, Amir A.

    2016-10-01

    Nanomaterials hold great promise for applications in thermal management and thermoelectric power generation. Defects are important as they can be either inevitably present during fabrication or intentionally introduced to engineer properties. Here, we investigate how thermal conductance responds to edge defects in narrow graphene, silicene, and boron nitride nanoribbons (NRs), from first principles using non-equilibrium Green's function method. Geometric distortions, phonon conductance coefficients, and local densities of states are analyzed. Hydrogen absences produce similar reductions in conductance in planar graphene and boron nitride NRs with larger reductions in buckled silicene NRs. Large atom vacancies affect all systems similarly. Emerging flexible and stiff scattering centers, depending on bond strengths, are shown to cause thermal conductance reduction. This knowledge suggests that inferences on unknown thermal properties of novel defected materials can be made based on understanding how thermal transport behaves in their analogues and how bond characteristics differ between the systems.

  1. Monitoring the on-surface synthesis of graphene nanoribbons by mass spectrometry

    KAUST Repository

    Zhang, Wen

    2017-06-14

    We present a mass spectrometric approach to monitor and characterize the intermediates of graphene nanoribbon (GNR) formation by chemical vapor deposition (CVD) on top of Au(111) surfaces. Information regarding the repeating units, lengths, and termini can be obtained directly from the surface sample by a modified matrix assisted laser desorption/ionization (MALDI) method. The mass spectrometric results reveal ample oxidative side reactions under CVD conditions which can, however, be diminished drastically by introduction of protective H2 gas at ambient pressure. Simultaneously, addition of hydrogen extends the lengths of the oligophenylenes and thus the final GNRs. Moreover, the prematurely formed cyclodehydrogenation products during the oligomer growth can be assigned by the mass spectrometric method. The obtained mechanistic insights provide valuable information for optimizing and upscaling the bottom-up fabrication of GNRs. Given the important role of GNRs as semiconductors, the mass spectrometric characterization provides a readily available tool to improve and characterize their structural perfection.

  2. Synthesis of 4H/fcc-Au@Metal Sulfide Core-Shell Nanoribbons.

    Science.gov (United States)

    Fan, Zhanxi; Zhang, Xiao; Yang, Jian; Wu, Xue-Jun; Liu, Zhengdong; Huang, Wei; Zhang, Hua

    2015-09-02

    Although great advances on the synthesis of Au-semiconductor heteronanostructures have been achieved, the crystal structure of Au components is limited to the common face-centered cubic (fcc) phase. Herein, we report the synthesis of 4H/fcc-Au@Ag2S core-shell nanoribbon (NRB) heterostructures from the 4H/fcc Au@Ag NRBs via the sulfurization of Ag. Remarkably, the obtained 4H/fcc-Au@Ag2S NRBs can be further converted to a novel class of 4H/fcc-Au@metal sulfide core-shell NRB heterostructures, referred to as 4H/fcc-Au@MS (M = Cd, Pb or Zn), through the cation exchange. We believe that these novel 4H/fcc-Au@metal sulfide NRB heteronanostructures may show some promising applications in catalysis, surface enhanced Raman scattering, solar cells, photothermal therapy, etc.

  3. First-principles study of the transport behavior of zigzag graphene nanoribbons tailored by strain

    Directory of Open Access Journals (Sweden)

    Jinying Wang

    2012-03-01

    Full Text Available The charge transport properties of zigzag graphene nanoribbons (ZGNRs under uniaxial and shear strains are theoretically studied. Although all strained ZGNRs have similar metallic band structures, they show four types of transport behavior under bias voltages that depend on the type of strain and the mirror symmetry of the ZGNR. Under an applied uniaxial strain, the current of symmetric ZGNRs is consistently small, while for asymmetric ZGNRs it is large. In contrast, the current increases with increasing shear strain for symmetric ZGNRs while it decreases for asymmetric ZGNRs. The current properties merge when the shear strain exceeds a critical value, and the two systems then show similar behavior. Our results suggest that strained ZGNRs with an appropriate applied shear are ideal conducting wires.

  4. First-principle study of energy band structure of armchair graphene nanoribbons

    Science.gov (United States)

    Ma, Fei; Guo, Zhankui; Xu, Kewei; Chu, Paul K.

    2012-07-01

    First-principle calculation is carried out to study the energy band structure of armchair graphene nanoribbons (AGNRs). Hydrogen passivation is found to be crucial to convert the indirect band gaps into direct ones as a result of enhanced interactions between electrons and nuclei at the edge boundaries, as evidenced from the shortened bond length as well as the increased differential charge density. Ribbon width usually leads to the oscillatory variation of band gaps due to quantum confinement no matter hydrogen passivated or not. Mechanical strain may change the crystal symmetry, reduce the overlapping integral of C-C atoms, and hence modify the band gap further, which depends on the specific ribbon width sensitively. In practical applications, those effects will be hybridized to determine the energy band structure and subsequently the electronic properties of graphene. The results can provide insights into the design of carbon-based devices.

  5. Torsional characteristics of graphene nanoribbons encapsulated in single-walled carbon nanotubes

    Science.gov (United States)

    Fang, Te-Hua; Chang, Win-Jin; Feng, Yu-Lun; Lu, Deng-Maw

    2016-09-01

    Molecular dynamics (MD) simulations were performed to study the torsional characteristics of a graphene nanoribbon encapsulated in a single-walled carbon nanotube (GNR@SWCNT) with different chiralities at different temperatures. Based on the simulations, the relationship between the shear stress and the twist angle was obtained. The maximum shear stress increases with an increase in chirality. However, the corresponding twist angle decreases with increasing chirality. GNR@SWCNT withstands a smaller twist angle compared with a single SWCNT. In addition, the interaction force between the GNR and the SWCNT increases with increasing temperature. GNR@SWCNT at an elevated temperature is easier to break during torsion with a lower twist angle. The results are valuable for the design of nanocomposites composed of carbon nanotubes and graphene materials.

  6. Functionalized low defect graphene nanoribbons and polyurethane composite film for improved gas barrier and mechanical performances.

    Science.gov (United States)

    Xiang, Changsheng; Cox, Paris J; Kukovecz, Akos; Genorio, Bostjan; Hashim, Daniel P; Yan, Zheng; Peng, Zhiwei; Hwang, Chih-Chau; Ruan, Gedeng; Samuel, Errol L G; Sudeep, Parambath M; Konya, Zoltan; Vajtai, Robert; Ajayan, Pulickel M; Tour, James M

    2013-11-26

    A thermoplastic polyurethane (TPU) composite film containing hexadecyl-functionalized low-defect graphene nanoribbons (HD-GNRs) was produced by solution casting. The HD-GNRs were well distributed within the polyurethane matrix, leading to phase separation of the TPU. Nitrogen gas effective diffusivity of TPU was decreased by 3 orders of magnitude with only 0.5 wt % HD-GNRs. The incorporation of HD-GNRs also improved the mechanical properties of the composite films, as predicted by the phase separation and indicated by tensile tests and dynamic mechanical analyses. The improved properties of the composite film could lead to potential applications in food packaging and lightweight mobile gas storage containers.

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

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Liming [Centre for Neural Engineering, The University of Melbourne, 203 Bouverie Street, Carlton, Victoria 3053 (Australia); Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia); National ICT Australia, The University of Melbourne, Parkville 3010 (Australia); Qiu, Wanzhi; Sharafat Hossain, Md; Al-Dirini, Feras; Skafidas, Efstratios, E-mail: sskaf@unimelb.edu.au [Centre for Neural Engineering, The University of Melbourne, 203 Bouverie Street, Carlton, Victoria 3053 (Australia); Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia); Evans, Robin [Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia)

    2016-02-07

    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 indicate 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.

  8. Transport and performance of a zero-Schottky barrier and doped contacts graphene nanoribbon transistors

    Science.gov (United States)

    Alam, Khairul

    2009-01-01

    The transport physics and performance of a top gate graphene nanoribbon (GNR) on an insulator transistor are studied for both the MOSFET like doped source-drain and the zero-Schottky barrier source-drain contacts. A voltage controlled tunnel barrier is the device transport physics. The doped source-drain contact device has a higher gate capacitance, higher transconductance, higher on/off current ratio and higher on-state current. The higher on-state current results in a lower switching delay of 17 fs, and the higher transconductance results in a higher intrinsic cut-off frequency of 27 THz in the doped source-drain contact device. The gate voltage, beyond the source-channel flat band condition, modulates both the tunnel and the thermal barrier in the doped source-drain contact devices and the tunnel barrier only in the Schottky contact devices. This limits the on-state current of Schottky contact devices.

  9. Spin Current Switching and Spin-Filtering Effects in Mn-Doped Boron Nitride Nanoribbons

    Directory of Open Access Journals (Sweden)

    G. A. Nemnes

    2012-01-01

    Full Text Available The spin transport properties are investigated by means of the first principle approach for boron nitride nanoribbons with one or two substitutional Mn impurities, connected to graphene electrodes. The spin current polarization is evaluated using the nonequilibrium Green’s function formalism for each structure and bias. The structure with one Mn impurity reveals a transfer characteristics suitable for a spin current switch. In the case of two Mn impurities, the system behaves as an efficient spin-filter device, independent on the ferromagnetic or antiferromagnetic configurations of the magnetic impurities. The experimental availability of the building blocks as well as the magnitudes of the obtained spin current polarizations indicates a strong potential of the analyzed structures for future spintronic devices.

  10. Electronic properties of NH4-adsorbed graphene nanoribbon as a promising candidate for a gas sensor

    Directory of Open Access Journals (Sweden)

    Naoki Harada

    2016-05-01

    Full Text Available The electronic properties of NH4-adsorbed N = 7 armchair graphene nanoribbons (AGNRs were theoretically investigated using self-consistent atomistic simulations to explore the feasibility of AGNRs as a gas sensing material. Whereas a pristine AGNR has a finite band gap and is an intrinsic semiconductor, an NH4-adsorbed AGNR exhibits heavily doped n-type properties similar to a graphene sheet with the molecules adsorbed. The electric characteristics of a back-gated AGNR gas sensor were also simulated and the drain current changed exponentially with increasing number of adsorbed molecules. We may conclude that an AGNR is promising as a highly sensitive gas-sensing material with large outputs.

  11. Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains

    Science.gov (United States)

    Cao, Ting; Zhao, Fangzhou; Louie, Steven G.

    2017-08-01

    We show that semiconducting graphene nanoribbons (GNRs) of different width, edge, and end termination (synthesizable from molecular precursors with atomic precision) belong to different electronic topological classes. The topological phase of GNRs is protected by spatial symmetries and dictated by the terminating unit cell. We have derived explicit formulas for their topological invariants and shown that localized junction states developed between two GNRs of distinct topology may be tuned by lateral junction geometry. The topology of a GNR can be further modified by dopants, such as a periodic array of boron atoms. In a superlattice consisting of segments of doped and pristine GNRs, the junction states are stable spin centers, forming a Heisenberg antiferromagnetic spin 1 /2 chain with tunable exchange interaction. The discoveries here not only are of scientific interest for studies of quasi-one-dimensional systems, but also open a new path for design principles of future GNR-based devices through their topological characters.

  12. Modulation of the electron transport properties in graphene nanoribbons doped with BN chains

    Directory of Open Access Journals (Sweden)

    Wu Liu

    2014-06-01

    Full Text Available Using density-functional theory and the non-equilibrium Green's function method, the electron transport properties of zigzag graphene nanoribbons (ZGNRs doped with BN chains are studied by systematically calculating the energy band structure, density of states and the transmission spectra for the systems. The BN chains destroyed the electronic transport properties of the ZGNRs, and an energy gap appeared for the ZGNRs, and displayed variations from a metal to a wide-gap semiconductor. With an increase in the number of BN chains, the band gap increased gradually in the band structure and the transmission coefficient decreased near the Fermi surface. Additionally, the doping position had a significant effect on the electronic properties of the ZGNRs.

  13. Quantum transport model for zigzag molybdenum disulfide nanoribbon structures : A full quantum framework

    Directory of Open Access Journals (Sweden)

    Chun-Nan Chen

    2016-08-01

    Full Text Available Mainly based on non-equilibrium Green’s function technique in combination with the three-band model, a full atomistic-scale and full quantum method for solving quantum transport problems of a zigzag-edge molybdenum disulfide nanoribbon (zMoSNR structure is proposed here. For transport calculations, the relational expressions of a zMoSNR crystalline solid and its whole device structure are derived in detail and in its integrity. By adopting the complex-band structure method, the boundary treatment of this open boundary system within the non-equilibrium Green’s function framework is so straightforward and quite sophisticated. The transmission function, conductance, and density of states of zMoSNR devices are calculated using the proposed method. The important findings in zMoSNR devices such as conductance quantization, van Hove singularities in the density of states, and contact interaction on channel are presented and explored in detail.

  14. Performance projection of bilayer graphene nanoribbon FET through quantum mechanical simulation

    Science.gov (United States)

    Rawat, Brajesh; Paily, Roy

    2016-12-01

    A quantum transport simulator based on a self-consistent solution of the Schrödinger equation within non-equilibrium Green’s function formalism and 2D Poisson equation for a bilayer graphene nanoribbon (bilayer GNR) field-effect transistor (FET) has been developed to examine the ballistic performance of a device. It is found that the lateral confinement employed in bilayer graphene to form the bilayer GNR largely increases the ON/OFF current ({I}{{ON}}/{I}{{OFF}}) ratios of FET without significantly degrading its ON current ({I}{{ON}}). On the other hand, the interlayer coupling considerably decreases the confinement-induced energy gap of the bilayer GNR and largely increases the {I}{{ON}} of the narrow bilayer GNR FET at the cost of lower {I}{{ON}}/{I}{{OFF}} ratios in comparison with the GNR FET.

  15. A biosensor based on graphene nanoribbon with nanopores: a first-principles devices-design

    Institute of Scientific and Technical Information of China (English)

    Ouyang Fang-Ping; Peng Sheng-Lin; Zhang Hua; Weng Li-Bo; Xu Hui

    2011-01-01

    A biosensor device, built from graphene nanoribbons (GNRs) with nanopores, was designed and studied by firstprinciples quantum transport simulation. We have demonstrated the intrinsic transport properties of the device and the effect of different nucleobases on device properties when they are located in the nanopores of GNRs. It was found that the device's current changes remarkably with the species of nucleobases, which originates from their different chemical compositions and coupling strengths with GNRs. In addition, our first-principles results clearly reveal that the distinguished ability of a device's current depends on the position of the pore to some extent. These results may present a new way to read off the nucleobases sequence of a single-stranded DNA (ssDNA) molecule by such GNRs-based device with designed nanopores

  16. Triplet p-wave pairing correlation in low-doped zigzag graphene nanoribbons

    Science.gov (United States)

    Ma, Tianxing; Yang, Fan; Huang, Zhongbing; Lin, Hai-Qing

    2017-02-01

    We reveal an edge spin triplet p–wave superconducting pairing correlation in slightly doped zigzag graphene nanoribbons. By employing a method that combines random-phase approximation, the finite-temperature determinant quantum Monte Carlo approach, and the ground-state constrained-path quantum Monte Carlo method, it is shown that such a spin-triplet pairing is mediated by the ferromagnetic fluctuations caused by the flat band at the edge. The spin susceptibility and effective pairing interactions at the edge strongly increase as the on-site Coulomb interaction increases, indicating the importance of electron-electron correlations. It is also found that the doping-dependent ground-state p-wave pairing correlation bears some similarity to the famous superconducting dome in the phase diagram of a high-temperature superconductor, while the spin correlation at the edge is weakened as the system is doped away from half filling.

  17. Fabrication of light, flexible and multifunctional graphene nanoribbon fibers via a 3D solution printing method

    Science.gov (United States)

    Wang, Mingqiang; Zhang, Shuai; Song, Yuanjun; Dong, Jidong; Wei, Huawei; Xie, Huaquan; Fang, Xiaojiao; Shao, Lu; Huang, Yudong; Jiang, Zaixing

    2016-11-01

    Graphene oxide nanoribbons (GONRs) are one of the most promising carbon based materials. The integration of 2D GONR sheets into macroscopic materials, such as continuous fibers or film, leads the way in translating the good properties of individual GONR sheets into macroscopic and ordered materials for future applications. In this study, we first report the fabrication of GONR fibers utilizing GONR sheets as the raw material without any supporting surfactant or polymer. The method of fabricating fibers is referred to as ‘3D solution printing’. GONR fibers exhibit good mechanical and electrical properties, whose tensile strength and electrical conductivity could reach up to 95 MPa and 680 S cm-1, respectively. Hence, the fabricated 3D integrated circuits are lighter and smaller compared to traditional metal circuits, and with high electrical properties. The 3D integrated circuits, therefore, have a bright future prospect.

  18. Phase transition and spin-resolved transport in MoS2 nanoribbons

    Science.gov (United States)

    Heshmati-Moulai, A.; Simchi, H.; Esmaeilzadeh, M.; Peeters, F. M.

    2016-12-01

    The electronic structure and transport properties of monolayer MoS2 are studied using a tight-binding approach coupled with the nonequilibrium Green's function method. A zigzag nanoribbon of MoS2 is conducting due to the intersection of the edge states with the Fermi level that is located within the bulk gap. We show that applying a transverse electric field results in the disappearance of this intersection and turns the material into a semiconductor. By increasing the electric field the band gap undergoes a two stage linear increase after which it decreases and ultimately closes. It is shown that in the presence of a uniform exchange field, this electric field tuning of the gap can be exploited to open low energy domains where only one of the spin states contributes to the electronic conductance. This introduces possibilities in designing spin filters for spintronic applications.

  19. Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons

    Science.gov (United States)

    Ma, Chuanxu; Xiao, Zhongcan; Zhang, Honghai; Liang, Liangbo; Huang, Jingsong; Lu, Wenchang; Sumpter, Bobby G.; Hong, Kunlun; Bernholc, J.; Li, An-Ping

    2017-03-01

    In the bottom-up synthesis of graphene nanoribbons (GNRs) from self-assembled linear polymer intermediates, surface-assisted cyclodehydrogenations usually take place on catalytic metal surfaces. Here we demonstrate the formation of GNRs from quasi-freestanding polymers assisted by hole injections from a scanning tunnelling microscope (STM) tip. While catalytic cyclodehydrogenations typically occur in a domino-like conversion process during the thermal annealing, the hole-injection-assisted reactions happen at selective molecular sites controlled by the STM tip. The charge injections lower the cyclodehydrogenation barrier in the catalyst-free formation of graphitic lattices, and the orbital symmetry conservation rules favour hole rather than electron injections for the GNR formation. The created polymer-GNR intraribbon heterostructures have a type-I energy level alignment and strongly localized interfacial states. This finding points to a new route towards controllable synthesis of freestanding graphitic layers, facilitating the design of on-surface reactions for GNR-based structures.

  20. Biodegradable elastomers and silicon nanomembranes/nanoribbons for stretchable, transient electronics, and biosensors.

    Science.gov (United States)

    Hwang, Suk-Won; Lee, Chi Hwan; Cheng, Huanyu; Jeong, Jae-Woong; Kang, Seung-Kyun; Kim, Jae-Hwan; Shin, Jiho; Yang, Jian; Liu, Zhuangjian; Ameer, Guillermo A; Huang, Yonggang; Rogers, John A

    2015-05-13

    Transient electronics represents an emerging class of technology that exploits materials and/or device constructs that are capable of physically disappearing or disintegrating in a controlled manner at programmed rates or times. Inorganic semiconductor nanomaterials such as silicon nanomembranes/nanoribbons provide attractive choices for active elements in transistors, diodes and other essential components of overall systems that dissolve completely by hydrolysis in biofluids or groundwater. We describe here materials, mechanics, and design layouts to achieve this type of technology in stretchable configurations with biodegradable elastomers for substrate/encapsulation layers. Experimental and theoretical results illuminate the mechanical properties under large strain deformation. Circuit characterization of complementary metal-oxide-semiconductor inverters and individual transistors under various levels of applied loads validates the design strategies. Examples of biosensors demonstrate possibilities for stretchable, transient devices in biomedical applications.

  1. Width and Crystal Orientation Dependent Band Gap Renormalization in Substrate-Supported Graphene Nanoribbons.

    Science.gov (United States)

    Kharche, Neerav; Meunier, Vincent

    2016-04-21

    The excitation energy levels of two-dimensional (2D) materials and their one-dimensional (1D) nanostructures, such as graphene nanoribbons (GNRs), are strongly affected by the presence of a substrate due to the long-range screening effects. We develop a first-principles approach combining density functional theory (DFT), the GW approximation, and a semiclassical image-charge model to compute the electronic band gaps in planar 1D systems in weak interaction with the surrounding environment. Application of our method to the specific case of GNRs yields good agreement with the range of available experimental data and shows that the band gap of substrate-supported GNRs are reduced by several tenths of an electronvolt compared to their isolated counterparts, with a width and orientation-dependent renormalization. Our results indicate that the band gaps in GNRs can be tuned by controlling screening at the interface by changing the surrounding dielectric materials.

  2. Composites of Graphene Nanoribbon Stacks and Epoxy for Joule Heating and Deicing of Surfaces.

    Science.gov (United States)

    Raji, Abdul-Rahman O; Varadhachary, Tanvi; Nan, Kewang; Wang, Tuo; Lin, Jian; Ji, Yongsung; Genorio, Bostjan; Zhu, Yu; Kittrell, Carter; Tour, James M

    2016-02-10

    A conductive composite of graphene nanoribbon (GNR) stacks and epoxy is fabricated. The epoxy is filled with the GNR stacks, which serve as a conductive additive. The GNR stacks are on average 30 nm thick, 250 nm wide, and 30 μm long. The GNR-filled epoxy composite exhibits a conductivity >100 S/m at 5 wt % GNR content. This permits application of the GNR-epoxy composite for deicing of surfaces through Joule (voltage-induced) heating generated by the voltage across the composite. A power density of 0.5 W/cm(2) was delivered to remove ∼1 cm-thick (14 g) monolith of ice from a static helicopter rotor blade surface in a -20 °C environment.

  3. Palladium-decorated hydrogen-gas sensors using periodically aligned graphene nanoribbons.

    Science.gov (United States)

    Pak, Yusin; Kim, Sang-Mook; Jeong, Huisu; Kang, Chang Goo; Park, Jung Su; Song, Hui; Lee, Ryeri; Myoung, NoSoung; Lee, Byoung Hun; Seo, Sunae; Kim, Jin Tae; Jung, Gun-Young

    2014-08-13

    Polymer residue-free graphene nanoribbons (GNRs) of 200 nm width at 1 μm pitch were periodically generated in an area of 1 cm(2) via laser interference lithography using a chromium interlayer prior to photoresist coating. High-quality GNRs were evidenced by atomic force microscopy, micro-Raman spectroscopy, and X-ray photoelectron spectroscopy measurements. Palladium nanoparticles were then deposited on the GNRs as catalysts for sensing hydrogen gases, and the GNR array was utilized as an electrically conductive path with less electrical noise. The palladium-decorated GNR array exhibited a rectangular sensing curve with unprecedented rapid response and recovery properties: 90% response within 60 s at 1000 ppm and 80% recovery within 90 s in nitrogen ambient. In addition, reliable and repeatable sensing behaviors were revealed when the array was exposed to various gas concentrations even at 30 ppm.

  4. Triplet p-wave pairing correlation in low-doped zigzag graphene nanoribbons

    Science.gov (United States)

    Ma, Tianxing; Yang, Fan; Huang, Zhongbing; Lin, Hai-Qing

    2017-01-01

    We reveal an edge spin triplet p–wave superconducting pairing correlation in slightly doped zigzag graphene nanoribbons. By employing a method that combines random-phase approximation, the finite-temperature determinant quantum Monte Carlo approach, and the ground-state constrained-path quantum Monte Carlo method, it is shown that such a spin-triplet pairing is mediated by the ferromagnetic fluctuations caused by the flat band at the edge. The spin susceptibility and effective pairing interactions at the edge strongly increase as the on-site Coulomb interaction increases, indicating the importance of electron-electron correlations. It is also found that the doping-dependent ground-state p-wave pairing correlation bears some similarity to the famous superconducting dome in the phase diagram of a high-temperature superconductor, while the spin correlation at the edge is weakened as the system is doped away from half filling. PMID:28186185

  5. Understanding and tuning the quantum-confinement effect and edge magnetism in zigzag graphene nanoribbon.

    Science.gov (United States)

    Huang, Liang Feng; Zhang, Guo Ren; Zheng, Xiao Hong; Gong, Peng Lai; Cao, Teng Fei; Zeng, Zhi

    2013-02-06

    The electronic structure of zigzag graphene nanoribbon (ZGNR) is studied using density functional theory. The mechanisms underlying the quantum-confinement effect and edge magnetism in ZGNR are systematically investigated by combining the simulated results and some useful analytic models. The quantum-confinement effect and the inter-edge superexchange interaction can be tuned by varying the ribbon width, and the spin polarization and direct exchange splitting of the edge states can be tuned by varying their electronic occupations. The two edges of ZGNR can be equally or unequally tuned by charge doping or Li adsorption, respectively. The Li adatom has a site-selective adsorption on ZGNR, and it is a nondestructive and memorable approach to effectively modify the edge states in ZGNR. These systematic understanding and effective tuning of ZGNR electronics presented in this work are helpful for further investigation and application of ZGNR and other magnetic graphene systems.

  6. Penetration depth and nonlocal manipulation of quantum spin hall edge states in chiral honeycomb nanoribbons.

    Science.gov (United States)

    Xu, Yong; Uddin, Salah; Wang, Jun; Wu, Jiansheng; Liu, Jun-Feng

    2017-08-08

    We have studied numerically the penetration depth of quantum spin hall edge states in chiral honeycomb nanoribbons based on the Green's function method. The changing of edge orientation from armchair to zigzag direction decreases the penetration depth drastically. The penetration depth is used to estimate the gap opened for the finite-size effect. Beside this, we also proposed a nonlocal transistor based on the zigzag-like chiral ribbons in which the current is carried at one edge and the manipulation is by the edge magnetization at the other edge. The difficulty that the edge magnetization is unstable in the presence of a ballistic current can be removed by this nonlocal manipulation.

  7. Tunable nano Peltier cooling device from geometric effects using a single graphene nanoribbon

    Science.gov (United States)

    Li, Wan-Ju; Yao, Dao-Xin; Carlson, E. W.

    2014-08-01

    Based on the phenomenon of curvature-induced doping in graphene we propose a class of Peltier cooling devices, produced by geometrical effects, without gating. We show how a graphene nanoribbon laid on an array of curved nano cylinders can be used to create a targeted and tunable cooling device. Using two different approaches, the Nonequilibrium Green's Function (NEGF) method and experimental inputs, we predict that the cooling power of such a device can approach the order of kW/cm2, on par with the best known techniques using standard superlattice structures. The structure proposed here helps pave the way toward designing graphene electronics which use geometry rather than gating to control devices.

  8. Third-order terahertz response of gapped, nearly-metallic armchair graphene nanoribbons

    Science.gov (United States)

    Wang, Yichao; Andersen, David R.

    2016-11-01

    We use time dependent perturbation theory to study the terahertz nonlinear response of gapped intrinsic and extrinsic nearly-metallic armchair graphene nanoribbons of finite length under an applied electric field. Generally, the nonlinear conductances exhibit contributions due to single-photon, two-photon, and three-photon processes. The interference between each of these processes results in remarkably complex behavior for the third-order conductances, including quantum dot signatures that should be measurable with a relatively simple experimental configuration. Notably, we observe sharp resonances in the isotropic third-order response due to the Van Hove singularities in the density of states at one-, two-, and three-photon resonances. However, these resonances are absent in the anisotropic third-order response; a result of the overall symmetry of the system.

  9. Engineering the magnetic properties of zigzag graphene nanoribbon by epoxy chains

    Science.gov (United States)

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

    2017-08-01

    The magnetic properties of zigzag graphene nanoribbon (ZGNR) oxidized by either two single epoxy or one epoxy pair chains were investigated here. The results show that the epoxy pair chain essentially produces finite spin moment for both the antiferromagnetic (AFM) and the ferromagnetic (FM) coupling between the ribbon edges, while the two single epoxy chains oxidized ZGNR and pure ZGNR show the trivial moment for the AFM coupling. The total spin moment has a weak dependence on the position of single epoxy and epoxy pair chains inside the ZGNR and on the width of ZGNR. In addition, the ZGNR oxidized by one epoxy pair chain transitions from a half metal to a semiconductor via tuning the Fermi level when the chain shifts inwards from the ribbon edge. Our results suggest the potential for designing graphene-based spintronics by introducing epoxy pair chains.

  10. A DFT Study on Electronic and Structural Properties of Graphene Nanoribbons

    Directory of Open Access Journals (Sweden)

    I.K. Petrushenko

    2016-11-01

    Full Text Available We carry out quantum chemistry calculations on armchair graphene nanoribbons (AGNRs using density-functional theory. PVE/SVP results for the dependence of energies of the highest occupied (HOMO and lowest unoccupied molecular orbitals (LUMO as well as energy gaps on AGNR widths and lengths are presented. We compare the HOMO and LUMO energies of a series of AGNRs with those energies of fullerene C60 and its soluble derivative, PCBM, to ascertain whether it is possible to use such AGNRs as electron acceptors in organic solar cells. The influence of Stone-Wales defects embedded in the frameworks of AGNRs on their electronic properties is also studied.

  11. Low-bias negative differential resistance effect in armchair graphene nanoribbon junctions

    Energy Technology Data Exchange (ETDEWEB)

    Li, Suchun [Department of Physics, Center for Advanced 2D Materials and Graphene Research Center, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, 28 Medical Drive, Singapore 117456 (Singapore); Gan, Chee Kwan [Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); Son, Young-Woo [Korea Institute for Advanced Study, Seoul 130-722 (Korea, Republic of); Feng, Yuan Ping [Department of Physics, Center for Advanced 2D Materials and Graphene Research Center, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, 28 Medical Drive, Singapore 117456 (Singapore); Quek, Su Ying, E-mail: phyqsy@nus.edu.sg [Department of Physics, Center for Advanced 2D Materials and Graphene Research Center, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore)

    2015-01-05

    Graphene nanoribbons with armchair edges (AGNRs) have bandgaps that can be flexibly tuned via the ribbon width. A junction made of a narrower AGNR sandwiched between two wider AGNR leads was recently reported to possess two perfect transmission channels close to the Fermi level. Here, we report that by using a bias voltage to drive these transmission channels into the gap of the wider AGNR lead, we can obtain a negative differential resistance (NDR) effect. Owing to the intrinsic properties of the AGNR junctions, the on-set bias reaches as low as ∼0.2 V and the valley current almost vanishes. We further show that such NDR effect is robust against details of the atomic structure of the junction, substrate, and whether the junction is made by etching or by hydrogenation.

  12. Electronic properties of graphene nanoribbon doped by boron/nitrogen pair: a first-principles study

    Institute of Scientific and Technical Information of China (English)

    Xiao Jin; Yang Zhi-Xiong; Xie Wei-Tao; Xiao Li-Xin; Xu Hui; OuYang Fang-Ping

    2012-01-01

    By using the first-principles calculations,the electronic properties of graphene nanoribbon (GNR) doped by boron/nitrogen (B/N) bonded pair are investigated. It is found that B/N bonded pair tends to be doped at the edges of GNR and B/N pair doping in GNR is easier to carry out than single B doping and unbonded B/N co-doping in GNR.The electronic structure of GNR doped by B/N pair is very sensitive to doping site besides the ribbon width and chirality. Moreover,B/N pair doping can selectively adjust the energy gap of armchair GNR and can induce the semimetal-semiconductor transmission for zigzag GNR.This fact may lead to a possible method for energy band engineering of GNRs and benefit the design of graphene electronic device.

  13. Large magnetoresistance from long-range interface coupling in armchair graphene nanoribbon junctions

    Energy Technology Data Exchange (ETDEWEB)

    Li, Suchun [Department of Physics, Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, 28 Medical Drive, Singapore 117456 (Singapore); Son, Young-Woo [Korea Institute for Advanced Study, Seoul 130-722 (Korea, Republic of); Quek, Su Ying, E-mail: phyqsy@nus.edu.sg [Department of Physics, Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore)

    2014-12-15

    In recent years, bottom-up synthesis procedures have achieved significant advancements in atomically controlled growth of several-nanometer-long graphene nanoribbons with armchair-shaped edges (AGNRs). This greatly encourages us to explore the potential of such well-defined AGNRs in electronics and spintronics. Here, we propose an AGNR based spin valve architecture that induces a large magnetoresistance up to 900%. We find that, when an AGNR is connected perpendicularly to zigzag-shaped edges, the AGNR allows for long-range extension of the otherwise localized edge state. The huge magnetoresistance is a direct consequence of the coupling of two such extended states from both ends of the AGNR, which forms a perfect transmission channel. By tuning the coupling between these two spin-polarized states with a magnetic field, the channel can be destroyed, leading to an abrupt drop in electron transmission.

  14. Lanczos transformation for quantum impurity problems in d-dimensional lattices: Application to graphene nanoribbons

    Science.gov (United States)

    Büsser, C. A.; Martins, G. B.; Feiguin, A. E.

    2013-12-01

    We present a completely unbiased and controlled numerical method to solve quantum impurity problems in d-dimensional lattices. This approach is based on a canonical transformation, of the Lanczos form, where the complete lattice Hamiltonian is exactly mapped onto an equivalent one-dimensional system, in the same spirit as Wilson's numerical renormalization, and Haydock's recursion method. We introduce many-body interactions in the form of a Kondo or Anderson impurity and we solve the low-dimensional problem using the density matrix renormalization group. The technique is particularly suited to study systems that are inhomogeneous, and/or have a boundary. The resulting dimensional reduction translates into a reduction of the scaling of the entanglement entropy by a factor Ld-1, where L is the linear dimension of the original d-dimensional lattice. This allows one to calculate the ground state of a magnetic impurity attached to an L×L square lattice and an L×L×L cubic lattice with L up to 140 sites. We also study the localized edge states in graphene nanoribbons by attaching a magnetic impurity to the edge or the center of the system. For armchair metallic nanoribbons we find a slow decay of the spin correlations as a consequence of the delocalized metallic states. In the case of zigzag ribbons, the decay of the spin correlations depends on the position of the impurity. If the impurity is situated in the bulk of the ribbon, the decay is slow as in the metallic case. On the other hand, if the adatom is attached to the edge, the decay is fast, within few sites of the impurity, as a consequence of the localized edge states, and the short correlation length. The mapping can be combined with ab initio band structure calculations to model the system, and to understand correlation effects in quantum impurity problems starting from first principles.

  15. Tuning band gaps of BN nanosheets and nanoribbons via interfacial dihalogen bonding and external electric field.

    Science.gov (United States)

    Tang, Qing; Bao, Jie; Li, Yafei; Zhou, Zhen; Chen, Zhongfang

    2014-08-07

    Density functional theory computations with dispersion corrections (DFT-D) were performed to investigate the dihalogen interactions and their effect on the electronic band structures of halogenated (fluorinated and chlorinated) BN bilayers and aligned halogen-passivated zigzag BN nanoribbons (BNNRs). Our results reveal the presence of considerable homo-halogen (FF and ClCl) interactions in bilayer fluoro (chloro)-BN sheets and the aligned F (Cl)-ZBNNRs, as well as substantial hetero-halogen (FCl) interactions in hybrid fluoro-BN/chloro-BN bilayer and F-Cl-ZBNNRs. The existence of interfacial dihalogen interactions leads to significant band-gap modifications for the studied BN nanosystems. Compared with the individual fluoro (chloro)-BN monolayers or pristine BNNRs, the gap reduction in bilayer fluoro-BN (B-FF-N array), hybrid fluoro-BN/chloro-BN bilayer (N-FCl-N array), aligned Cl-ZBNNRs (B-ClCl-N alignment), and hybrid F-Cl-ZBNNRs (B-FCl-N alignment) is mainly due to interfacial polarizations, while the gap narrowing in bilayer chloro-BN (N-ClCl-N array) is ascribed to the interfacial nearly-free-electron states. Moreover, the binding strengths and electronic properties of the interactive BN nanosheets and nanoribbons can be controlled by applying an external electric field, and extensive modulation from large-gap to medium-gap semiconductors, or even metals can be realized by adjusting the direction and strength of the applied electric field. This interesting strategy for band gap control based on weak interactions offers unique opportunities for developing BN nanoscale electronic devices.

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

    Energy Technology Data Exchange (ETDEWEB)

    Alaal, Naresh [IITB-Monash Research Academy, Old CSE Building 2 nd Floor, IIT Bombay, Powai, Mumbai 400076, India. (India); Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India. (India); Department of Materials Engineering, Monash University, Clayton, Victoria -3800, Australia. (Australia); Medhekar, Nikhil [Department of Materials Engineering, Monash University, Clayton, Victoria -3800, Australia. (Australia); Shukla, Alok, E-mail: shukla@phy.iitb.ac.in [Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India. (India)

    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 exhibit 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.

  17. Effect of uniaxial strain on the tunnel magnetoresistance of T-shaped graphene nanoribbon based spin-valve

    Science.gov (United States)

    Fouladi, A. Ahmadi

    2016-07-01

    We theoretically investigated the spin-dependent transport through a T-shaped graphene nanoribbon (TsGNR) based spin-valve consisting of armchair graphene sandwiched between two semi-infinite ferromagnetic armchair graphene nanoribbon leads in the presence of an applied uniaxial strain. Based on a tight-binding model and standard nonequilibrium Green's function technique, it is demonstrated that the tunnel magnetoresistance (TMR) for the system can be increased about 98% by tuning the uniaxial strain. Our results show that the absolute values of TMR around the zero bias voltage for compressive strain are larger than tensile strain. In addition, the TMR of the system can be nicely controlled by GNR width.

  18. Free vibration analysis of multi-layer graphene nanoribbons incorporating interlayer shear effect via molecular dynamics simulations and nonlocal elasticity

    Energy Technology Data Exchange (ETDEWEB)

    Nazemnezhad, Reza, E-mail: rnazemnezhad@iust.ac.ir [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Hosseini-Hashemi, Shahrokh [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Center of Excellence in Railway Transportation, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of)

    2014-09-12

    Free vibration of cantilever multi-layer graphene nanoribbons (MLGNRs) with interlayer shear effect is investigated using molecular dynamics simulations (MD) and nonlocal elasticity. Because of similarity of MLGNRs to sandwich structures, sandwich formulations are expressed in the nonlocal form. By comparing the first two frequencies of MLGNRs with various layers and lengths obtained using MD simulations with those of the nonlocal sandwich formulation; the nonlocal parameter is calibrated to match the results of two methods. The results reveal that the calibrated nonlocal parameter for predicting the second frequencies is dependent on the number of MLGNR layers, and it increases by increasing the number of layers. - Highlights: • Nonlocal parameter is calibrated for vibration of multi-layer graphene nanoribbons. • Interlayer shear effect between GNR layers is also considered. • Two first nonlocal frequencies are obtained using sandwich formulation. • Molecular dynamics simulations are done for nonlocal parameter calibration.

  19. Understanding the effect of $n$-type and $p$-type doping in the channel of graphene nanoribbon transistor

    Indian Academy of Sciences (India)

    SUDHANSHU CHOUDHARY; VIKRAM SINGH

    2016-09-01

    In this paper, device performance of graphene nanoribbon field effect transistor (GNRFET) with different doping concentrations in different parts of the channel is reported. The study is performed by using atomistic simulations based on self-consistent solution of Schrodinger’s and Poisson’s equation within the non-equilibrium Green’s function formalism. The transfer and output characteristics suggest that device performance with $n$-type doping in the channel is better with smaller supply voltage compared to higher supply voltage. On increasing the $n$-type doping concentration, we obtained better on-current and output characteristics in comparison with undoped and $p$-type doped channel GNRFET. Further, we introduced step-doping profile in the graphene nanoribbon (GNR) channel and found that the device gives better on-current and good saturation condition when compared to undoped or uniformly-doped channel.

  20. Graphene nanoribbon field-effect transistors on wafer-scale epitaxial graphene on SiC substrates

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Wan Sik, E-mail: whwang@kau.ac.kr, E-mail: djena@nd.edu [Department of Electrical Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Department of Materials Engineering, Korea Aerospace University, Goyang City, Gyeonggi-do 412791 (Korea, Republic of); Zhao, Pei; Tahy, Kristof; Xing, Huili; Seabaugh, Alan; Jena, Debdeep, E-mail: whwang@kau.ac.kr, E-mail: djena@nd.edu [Department of Electrical Engineering, University of Notre Dame, Notre Dame, Indiana 46556 (United States); Nyakiti, Luke O. [U. S. Naval Research Laboratory, Washington, DC 20375 (United States); Department of Materials Science and Engineering, Texas A and M University, College Station, Texas 77843 (United States); Wheeler, Virginia D.; Myers-Ward, Rachael L.; Eddy, Charles R.; Gaskill, D. Kurt [U. S. Naval Research Laboratory, Washington, DC 20375 (United States); Robinson, Joshua A. [Materials Science and Engineering and Center of 2D and Layered Materials, Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Haensch, Wilfried [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

    2015-01-01

    We report the realization of top-gated graphene nanoribbon field effect transistors (GNRFETs) of ∼10 nm width on large-area epitaxial graphene exhibiting the opening of a band gap of ∼0.14 eV. Contrary to prior observations of disordered transport and severe edge-roughness effects of graphene nanoribbons (GNRs), the experimental results presented here clearly show that the transport mechanism in carefully fabricated GNRFETs is conventional band-transport at room temperature and inter-band tunneling at low temperature. The entire space of temperature, size, and geometry dependent transport properties and electrostatics of the GNRFETs are explained by a conventional thermionic emission and tunneling current model. Our combined experimental and modeling work proves that carefully fabricated narrow GNRs behave as conventional semiconductors and remain potential candidates for electronic switching devices.

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

    Science.gov (United States)

    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.

  2. Facile synthesis of Bi2S3 nanoribbons for photocatalytic reduction of CO2 into CH3OH

    Science.gov (United States)

    Jin, Jiarui; He, Tao

    2017-02-01

    The bismuth sulfide (Bi2S3) nanoribbons with different length-to-width ratio are successfully prepared using a simple solvothermal technique. Their crystal structures, morphologies, as well as the optical absorption are characterized by powder X-ray diffraction, transmission electron microscope, UV-vis diffuse-reflection spectroscopy and nitrogen adsorption. The electron microscopy observation shows that the molar ratio of Bi and S source greatly influences the size of the as-prepared Bi2S3 nanoribbons and, thereby, the length-to-width ratio. The Bi2S3 nanocatalysts with the largest length-to-width ratio exhibits the highest activity for photocatalytic reduction of CO2 into methanol because it has the most negative potential of conduction band, the largest BET specific surface area and lowest recombination of photogenerated charge carriers.

  3. Mechanical and electrical properties of functionalized graphene nanoribbon: A study of reactive molecular dynamic simulation and density functional tight-binding theory

    Energy Technology Data Exchange (ETDEWEB)

    Zaminpayma, Esmaeil, E-mail: zaminpayma@qiau.ac.ir [Physics Group, Qazvin Branch, Islamic Azad University, Qazvin (Iran, Islamic Republic of); Nayebi, Payman [Physics Department, Saveh Branch, Islamic Azad University, Saveh (Iran, Islamic Republic of)

    2015-02-15

    Graphene has novel electronic structure, such as unusual transport properties, high carrier mobility and excellent mechanical properties like high Young's modulus. These properties can be modified by many methods, such as functionalized with adding chemical groups, cutting graphene as a nanoribbon and Appling a stress along graphene. In this work, we studied the mechanical and electrical properties of functionalized graphene nanoribbon with –NH{sub 2}, –CH{sub 3}, –OH, –C{sub 5}H{sub 6} groups. In mechanical section, we calculated Young's modulus of functionalized graphene nanoribbon as a function of temperature by method of reactive molecular dynamic simulation. Our results show that Young's modulus decrease by increasing temperature. Also we studied the effect of functionalized groups on Young's modulus. We show that Young's modulus decreases by adding these groups. It is in the order of Y (nanoribbon)>Y (NH{sub 2})>Y (C{sub 6}H{sub 5})>Y (OH)>Y (CH{sub 3}). In electrical section, we calculated current–voltage curve for functionalized nanoribbon with density functional tight-binding method at two different 0% and 5% strain. We found for both strains, the functionalized groups decrease the electrical resistance of nanoribbon and increase its current. The relationship of the current is in the order of I(CH{sub 3}) >I(C{sub 5}H{sub 6}) >I(NH{sub 2}) >I(OH) >I (nanoribbon)

  4. Charge transfer of edge states in zigzag silicene nanoribbons with Stone–Wales defects from first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Xie [College of Mathematics and Statistics, Chongqing University, Chongqing 401331 (China); School of Mathematics and Statistic, Chongqing University of Technology, Chongqing 400054 (China); Rui, Wang, E-mail: rcwang@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Science, Beijing 100190 (China); Shaofeng, Wang [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); Xiaozhi, Wu, E-mail: xiaozhiwu@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China)

    2016-10-15

    Highlights: • The properties of SW defects in silicene and ZSNRs are obtained. • The SW defects at the edge of ZSNRs induce a sizable gap. • The charge transfer of edge states is resulted from SW defects in ZSNRS. - Abstract: Stone–Wales (SW) defects are favorably existed in graphene-like materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and electronic properties of SW defects in silicene sheet and its nanoribbons as a function of their concentration using the methods of periodic boundary conditions with first-principles calculations. We first calculate the formation energy, structural properties, and electronic band structures of SW defects in silicene sheet, with dependence on the concentration of SW defects. Our results show a good agreement with available values from the previous first-principles calculations. The energetics, structural aspects, and electronic properties of SW defects with dependence on defect concentration and location in edge-hydrogenated zigzag silicene nanoribbons are obtained. For all calculated concentrations, the SW defects prefer to locate at the edge due to the lower formation energy. The SW defects at the center of silicene nanoribbons slightly influence on the electronic properties, whereas the SW defects at the edge of silicene nanoribbons split the degenerate edge states and induce a sizable gap, which depends on the concentration of defects. It is worth to find that the SW defects produce a perturbation repulsive potential, which leads the decomposed charge of edge states at the side with defect to transfer to the other side without defect.

  5. Effect of Edge Roughness on Electronic Transport in Graphene Nanoribbon Channel Metal Oxide Semiconductor Field-Effect Transistors

    OpenAIRE

    D Basu; Gilbert, M.J.; Register, L. F.; Macdonald, A. H.; Banerjee, S. K.

    2007-01-01

    Results of quantum mechanical simulations of the influence of edge disorder on transport in graphene nanoribbon metal oxide semiconductor field-effect transistors (MOSFETs) are reported. The addition of edge disorder significantly reduces ON-state currents and increases OFF-state currents, and introduces wide variability across devices. These effects decrease as ribbon widths increase and as edges become smoother. However the bandgap decreases with increasing width, thereby increasing the ban...

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

    Science.gov (United States)

    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.

  7. Size-controllable DNA nanoribbons assembled from three types of reusable brick single-strand DNA tiles.

    Science.gov (United States)

    Shi, Xiaolong; Chen, Congzhou; Li, Xin; Song, Tao; Chen, Zhihua; Zhang, Zheng; Wang, Yanfeng

    2015-11-21

    Precise control of nanostructure is a significant goal shared by supramolecular chemistry, nanotechnology and materials science. In DNA nanotechnology, methods of constructing desired DNA nanostructures using programmable DNA strands have been studied extensively and have become a promising branch of research, but developing universal and low-cost (in the sense of using fewer types of DNA strands) methods remains a challenge. In this work, we propose a novel approach to assemble size-controllable DNA nanoribbons with three types of reusable brick SSTs (single-stranded DNA tiles), where the control of ribbon size is achieved by regulating the concentration ratio between manipulative strands and packed single-stranded DNA tiles. In our method, three types of brick SSTs are sufficient in assembling DNA nanoribbons of different sizes, which is much less than the number of types of unique tile-programmable assembling strategy, thus achieving a universal and low-cost method. The assembled DNA nanoribbons are observed and analyzed by atomic force microscopy (AFM). Experimental observations strongly suggest the feasibility and reliability of our method.

  8. A chemical reaction controlled mechanochemical route to construction of CuO nanoribbons for high performance lithium-ion batteries.

    Science.gov (United States)

    Chen, Kunfeng; Xue, Dongfeng

    2013-12-07

    We reported a chemical reaction controlled mechanochemical route to synthesize mass CuO nanosheets by manual grinding in a mortar and pestle, which does not require any solvent, complex apparatus and techniques. The activation of chemical reactions by milling reactants was thus proved, and the energy from mechanical grinding promotes the fast formation of CuO nanoribbons. The resultant materials have preferential nanoscale ribbon-like morphology that can show large capacity and high cycle performance as lithium-ion battery anodes. After 50 cycles, the discharge capacity of CuO nanoribbon electrodes is 614.0 mA h g(-1), with 93% retention of the reversible capacity. The thermodynamic reactions of the CuO battery showed size-dependent characterization. The microstructures of CuO nanosheets and reaction routes can be controlled by the ratio of NaOH/CuAc2 according to the chemical reactions involved. The intact nanoribbon structure, thin-layer, and hierarchical structures endow present CuO materials with high reversible capacity and excellent cycling performances. The simple, economical, and environmentally friendly mechanochemical route is of great interest in modern synthetic chemistry.

  9. Dependence of phase configurations, microstructures and magnetic properties of iron-nickel (Fe-Ni) alloy nanoribbons on deoxidization temperature in hydrogen

    Science.gov (United States)

    Jing, Panpan; Liu, Mengting; Pu, Yongping; Cui, Yongfei; Wang, Zhuo; Wang, Jianbo; Liu, Qingfang

    2016-11-01

    Iron-nickel (Fe-Ni) alloy nanoribbons were reported for the first time by deoxidizing NiFe2O4 nanoribbons, which were synthesized through a handy route of electrospinning followed by air-annealing at 450 °C, in hydrogen (H2) at different temperatures. It was demonstrated that the phase configurations, microstructures and magnetic properties of the as-deoxidized samples closely depended upon the deoxidization temperature. The spinel NiFe2O4 ferrite of the precursor nanoribbons were firstly deoxidized into the body-centered cubic (bcc) Fe-Ni alloy and then transformed into the face-centered cubic (fcc) Fe-Ni alloy of the deoxidized samples with the temperature increasing. When the deoxidization temperature was in the range of 300 ~ 500 °C, although each sample possessed its respective morphology feature, all of them completely reserved the ribbon-like structures. When it was further increased to 600 °C, the nanoribbons were evolved completely into the fcc Fe-Ni alloy nanochains. Additionally, all samples exhibited typical ferromagnetism. The saturation magnetization (Ms) firstly increased, then decreased, and finally increased with increasing the deoxidization temperature, while the coercivity (Hc) decreased monotonously firstly and then basically stayed unchanged. The largest Ms (~145.7 emu·g-1) and the moderate Hc (~132 Oe) were obtained for the Fe-Ni alloy nanoribbons with a mixed configuration of bcc and fcc phases.

  10. Effect of N/B doping on the electronic and field emission properties for carbon nanotubes, carbon nanocones, and graphene nanoribbons.

    Science.gov (United States)

    Yu, Shan-Sheng; Zheng, Wei-Tao

    2010-07-01

    Carbon nanotubes, carbon nanocones, and graphene nanoribbons are carbon-based nanomaterials, and their electronic and field emission properties can be altered by either electron donors or electron acceptors. Among both donors and accepters, nitrogen and boron atoms are typical substitutional dopants for carbon materials. The contribution of this paper mainly provides a comprehensive overview of the theoretical topics. The effect of nitrogen/boron doping on the electronic and field emission properties for carbon nanotubes, carbon nanocones, and graphene nanoribbons is reviewed. It is also suggested that nitrogen is more an n-type donor. The discussion about the mechanism of field emission for N-doped carbon nanotubes and electronic structures of N-doped graphene nanoribbons is interesting and timely.

  11. Graphene-based electrochemical sensor for detection of 2,4,6-trinitrotoluene (TNT) in seawater: the comparison of single-, few-, and multilayer graphene nanoribbons and graphite microparticles.

    Science.gov (United States)

    Goh, Madeline Shuhua; Pumera, Martin

    2011-01-01

    The detection of explosives in seawater is of great interest. We compared response single-, few-, and multilayer graphene nanoribbons and graphite microparticle-based electrodes toward the electrochemical reduction of 2,4,6-trinitrotoluene (TNT). We optimized parameters such as accumulation time, accumulation potential, and pH. We found that few-layer graphene exhibits about 20% enhanced signal for TNT after accumulation when compared to multilayer graphene nanoribbons. However, graphite microparticle-modified electrode provides higher sensitivity, and there was no significant difference in the performance of single-, few-, and multilayer graphene nanoribbons and graphite microparticles for the electrochemical detection of TNT. We established the limit of detection of TNT in untreated seawater at 1 μg/mL.

  12. Intercalation assembly of Li{sub 3}VO{sub 4} nanoribbons/graphene sandwich-structured composites with enhanced oxygen reduction catalytic performance

    Energy Technology Data Exchange (ETDEWEB)

    Huang, K.; Ling, Q.N.; Huang, C.H.; Bi, K. [State Key Laboratory of Information Photonics and Optical Communications & School of Science, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Wang, W.J.; Yang, T.Z. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Lu, Y.K. [School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083 (China); Liu, J., E-mail: liujun4982004@csu.edu.cn [School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083 (China); Zhang, R.; Fan, D.Y.; Wang, Y.G. [State Key Laboratory of Information Photonics and Optical Communications & School of Science, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Lei, Ming, E-mail: mlei@bupt.edu.cn [State Key Laboratory of Information Photonics and Optical Communications & School of Science, Beijing University of Posts and Telecommunications, Beijing 100876 (China)

    2015-10-15

    Novel sandwich-like nanocomposites of alternative stacked ultrathin Li{sub 3}VO{sub 4} nanoribbons and graphene sheets (LVO-G) were successfully developed by a facile intercalation assembly method with a post heating treatment. The characterization results demonstrate that the average size of the Li{sub 3}VO{sub 4} nanoribbons with a non-layered crystal structure is a few micrometers in length, 50–100 nm in width and a few atomic layers in height. The addition of graphene sheets can modify the preferred orientation of the Li{sub 3}VO{sub 4} nanoribbons from (110) to (011) plane and restrict the growth of impurity phase at the same time. In addition, EIS analysis has also verified the reduced resistance and thus the enhance conductivity of LVO-G nanocomposites compared with bare Li{sub 3}VO{sub 4} nanoribbons. What's more, the electrocatalytic performances of these novel LVO-G nanocomposites for oxygen reduction reaction (ORR) in alkaline solution are further investigated by cyclic voltammetry (CV), rotating disk electrode (RDE) and chronoamperometry test. It is found that the enhanced activity and stability of LVO-G can be attributed to the synergistic effect between the Li{sub 3}VO{sub 4} nanoribbons and graphene sheets with a larger reduction current density and a smaller onset potential value for LVO-G25 compared with LVO-G50 due to the change of components. - Highlights: • Novel sandwich-structured LVO-G by a facile intercalation assembly method. • Addition of G sheets can modify the preferred orientation of Li{sub 3}VO{sub 4} nanoribbon. • Enhanced ORR activity and stability due to synergistic effect are demonstrated.

  13. The magneto-optical properties of non-uniform graphene nanoribbons

    Science.gov (United States)

    Chung, Hsien-Ching; Lin, Ming-Fa

    2015-03-01

    When synthesizing few-layer graphene nanoribbons (GNRs), non-uniform GNRs would be made simultaneously. Recently, the non-uniform GNRs, which is a stack of two GNRs with unequal widths, have been fabricated by mechanically exfoliated from bulk graphite. Some theoretical predictions have been reported, such as gap opening and transport properties. Under the influence of magnetic fields, magnetic quantization takes place and drastically changes the electronic properties. By tuning the geometric configuration, four categories of magneto-electronic spectra are exhibited. (1) The spectrum is mostly contributed by quasi-Landau levels (QLLs) of monolayer GNRs. (2) The spectrum displays two groups of QLLs, and the non-uniform GNR behaves like a bilayer one. (3) An intermediate category, the spectrum is composite disordered. (4) The spectrum presents the coexistence of monolayer and bilayer spectra. In this work, the magneto-electronic and optical properties for different geometric configurations are given, such as energy dispersions, density of states, wave functions, and magneto-absorption spectra are presented. Furthermore, the transformation between monolayer and bilayer spectra as well as the coexistence of monolayer and bilayer spectra are discussed in detail. One of us (Hsien-Ching Chung) thanks Ming-Hui Chung and Su-Ming Chen for financial support. This work was supported in part by the National Science Council of Taiwan under Grant Number 98-2112-M-006-013-MY4.

  14. Intercalation-assisted longitudinal unzipping of carbon nanotubes for green and scalable synthesis of graphene nanoribbons

    Science.gov (United States)

    Li, Yan-Sheng; Liao, Jia-Liang; Wang, Shan-Yu; Chiang, Wei-Hung

    2016-03-01

    We have demonstrated an effective intercalation of multi-walled carbon nanotubes (MWCNTs) for the green and scalable synthesis of graphene nanoribbons (GNRs) using an intercalation-assisted longitudinal unzipping of MWCNTs. The key step is to introduce an intercalation treatment of raw MWCNTs with KNO3 and H2SO4, making it promising to decrease the strong van der Waals attractions in the MWCNTs bundles and between the coaxial graphene walls of CNTs. Systematic micro Raman, X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) characterizations suggest that potassium, nitrate, and sulfate ions play an important role in the CNT intertube and intratube intercalations during the pretreatment. Detailed scanning electron microscopy (SEM), transmission electron microscopy, XRD, and micro Raman characterizations indicate that the developed methodology possesses the ability to synthesis GNRs effectively with an improved CNT concentration in H2SO4 of 10 mg/ml at 70 °C, which is amenable to industrial-scale production because of the decreased amount of strong acid. Our work provides a scientific understanding how to enhance the GNR formation by accelerating the CNT longitudinal unzipping via suitable molecular intercalation.

  15. Effect of the edge states on the conductance and thermopower in zigzag phosphorene nanoribbons

    Science.gov (United States)

    Ma, R.; Geng, H.; Deng, W. Y.; Chen, M. N.; Sheng, L.; Xing, D. Y.

    2016-09-01

    We study numerically the effect of the edge states on the conductance and thermopower in zigzag phosphorene nanoribbons (ZPNRs) based on the tight-binding model and the scattering-matrix method. It is interesting to find that the band dispersion, conductance, and thermopower can be modulated by applying a bias voltage and boundary potentials to the two layers of the ZPNRs. Under a certain bias voltage, the twofold-degenerate quasi-flat-edge bands split perfectly. The conductance can be switched off, and the thermopower around zero energy increases. In addition, when only the boundary potential of the top layer or bottom layer is adjusted, only one edge band bends and merges into the bulk band. The first conductance plateau is strongly decreased to e2/h around zero energy. In particular, when the two boundary potentials are adjusted, all the edge bands bend and fully merge into the bulk band, and the bulk energy gap is maximized. More interestingly, a pronounced conductance plateau with G =0 is found around zero energy, which is attributable to the opening of the bulk energy gap between the valence and conduction bands. Meanwhile, the thermopower can be enhanced more than twice compared to that of the perfect ZPNRs. The large magnitude of thermopower is ascribed to the appearance of the bulk energy gap around zero energy. Our results show that the modulated ZPNRs are more reliable in a thermoelectric application.

  16. Multicolor Photodetector of a Single Er(3+)-Doped CdS Nanoribbon.

    Science.gov (United States)

    Dedong, Hou; Ying-Kai, Liu; Yu, De-Peng

    2015-12-01

    Er(3+)-doped CdS nanoribbons (Er-CdS NRs) are synthesized by thermal evaporation and then characterized by field emission scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HRTEM), photoluminescence (PL), and absorption spectra. The Er-CdS NR photodetector is studied systematically, including spectral response, light intensity response, and photoconductance (G) versus temperature (T). It is found that Er-CdS NR has the ability of detecting multicolor light including blue, red, and near-infrared light with higher responsivity (R λ ) and external quantum efficiency (η). The conductance of Er-CdS NR under dark conditions decreases with increasing temperature in the range of 87-237 K, while its conductance increases with increasing temperature in the range of 237-297 K when T is larger than 237 K. These results indicated that ionized impurities and the intrinsic excitation are responsible for the conductance change of Er-CdS NR in the dark. The superior performance of the Er-CdS NR device offers an avenue to develop highly sensitive multicolor photodetector applications.

  17. A high sensitivity field effect transistor biosensor for methylene blue detection utilize graphene oxide nanoribbon.

    Science.gov (United States)

    Lin, Ting-Chun; Li, Yan-Sheng; Chiang, Wei-Hung; Pei, Zingway

    2017-03-15

    In this work, we developed a field effect transistor (FET) biosensor utilizing solution-processed graphene oxide nanoribbon (GONR) for methylene blue (MB) sensing. MB is a unique material; one of its crucial applications is as a marker in the detection of biomaterials. Therefore, a highly sensitive biosensor with a low detection limit that can be fabricated simply in a noncomplex detection scheme is desirable. GONR is made by unzipping multiwall carbon nanotubes, which can be mass-produced at low temperature. The GONR-FET biosensor demonstrated a sensitivity of 12.5μA/mM (determined according to the drain current difference caused by the MB concentration change). The Raman spectra indicate that the materials quality of the GONR and the domain size for the C=C sp(2) bonding were both improved after MB detection. X-ray photoelectron spectroscopy revealed that the hydroxyl groups on the GONR were removed by the reductive MB. According to XPS and Raman, the positive charge is proposed to transfer from MB to GONR during sensing. This transfer causes charge in-neutrality in the GONR which is compensated by releasing •OH functional groups. With high sensitivity, a low detection limit, and a simple device structure, the GONR-FET sensor is suitable for sensing biomaterials.

  18. First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device

    Science.gov (United States)

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

    2015-08-01

    We have studied using density functional theory and non-equilibrium Green's function based approach, the electronic structures of 555-777 divacancy (DV) defected armchair edged graphene nanoribbons (AGNR) as well as the transport properties of AGNR based two-terminal devices constructed with one defected electrode and one N doped electrode. Introduction of 555-777 DV defect into AGNR results in shifting of the π and π∗ bands towards the higher energy value indicating a downward shift of the Fermi level. Formation of a potential barrier, analogous to that of conventional p-n junction, has been observed across the junction of defected and N-doped AGNR. The two terminal devices show diode like property with high rectifying efficiency for a wide range of bias voltages. The devices also show robust negative differential resistance with very high peak-to-valley ratio. Shift of the electrode energy states and modification of the transmission function with applied bias have been analyzed, in order to gain an insight into the nonlinear and asymmetric behavior of the current-voltage characteristics. Variation of the transport properties on the width of the ribbons has also been discussed.

  19. Functionalized graphene nanoribbon films as a radiofrequency and optically transparent material.

    Science.gov (United States)

    Raji, Abdul-Rahman O; Salters, Sydney; Samuel, Errol L G; Zhu, Yu; Volman, Vladimir; Tour, James M

    2014-10-01

    We report that conductive films made from hexadecylated graphene nanoribbons (HD-GNRs) can have high transparency to radiofrequency (RF) waves even at very high incident power density. Nanoscale-thick HD-GNR films with an area of several square centimeters were found to transmit up to 390 W (2 × 10(5) W/m(2)) of RF power with negligible loss, at an RF transmittance of ∼99%. The HD-GNR films conformed to electromagnetic skin depth theory, which effectively accounts for the RF transmission. The HD-GNR films also exhibited sufficient optical transparency for tinted glass applications, with efficient voltage-induced deicing of surfaces. The dispersion of the HD-GNRs afforded by their edge functionalization enables spray-, spin-, or blade-coating on almost any substrate, thus facilitating flexible, conformal, and large-scale film production. In addition to use in antennas and radomes where RF transparency is crucial, these capabilities bode well for the use of the HD-GNR films in automotive and general glass applications where both optical and RF transparencies are desired.

  20. Oxygen- and hydroxyl-edge termination of silicene nanoribbons studied by first-principles calculations

    Science.gov (United States)

    Li, Rui; Liu, Zhong-Li; Gu, Yanhong; Zhang, Weiying; Tan, Yonggang

    2016-05-01

    The geometrical structures and electronic properties of the armchair- and zigzag-edge silicene nanoribbons (SiNRs), terminated with oxygen and hydroxyl (ZSiNR-O, ZSiNR-OH, ASiNR-O, ASiNR-OH), have been investigated by using the first-principles method. It is found that the silicene edges are rippled upon the oxygen termination. On one edge of ZSiNR-O, the neighboring Si-O bonds move concordantly right (left) from the silicene plane, while on one edge of ASiNR-O, the neighboring Si-O bonds respectively move right and left to result in larger rippled amplitudes. Comparably, the influence of OH-termination on the silicene edge is small, inducing smaller rippled edges. The electronic structure calculations show that the px electrons of oxygen on the rippled edges of ZSiNR-O sp3 hybridize with the edge Si atoms, forming one more bands. The band gaps of the ASiNR-O and ASiNR-OH also obey the three-family behavior, due to the quantum confinement and the crucial effect of the edges. For ASiNR-OH, by taking account of the new atom chains formed by the hydrogen bonds of the neighboring OHs, the band gaps follow the same hierarchy of Δ3 p >Δ3 p - 1 >Δ3 p - 2 with those of ASiNR-Os.

  1. Plasmonic hollow gold nanoparticles induced high-performance Bi2S3 nanoribbon photodetector

    Science.gov (United States)

    Liang, Feng-Xia; Ge, Cai-Wang; Zhang, Teng-Fei; Xie, Wei-Jie; Zhang, Deng-Yue; Zou, Yi-Feng; Zheng, Kun; Luo, Lin-Bao

    2017-03-01

    A high performance hollow gold nanoparticles (HGNs) decorated one-dimensional (1-D) Bi2S3 nanoribbon (NR) photodetector was fabricated for green light detection (560 nm). The single crystal 1-D Bi2S3 NRs with growth orientation along [001] were synthesized by a simple solvothermal approach. Optoelectronic analysis reveals that the performance of the plasmonic photodetector was greatly enhanced after decoration with HGNs. For example, the responsivity increases from 1.4 × 102 to 1.09 × 103 AW-1, the conductivity gain from 2.68 × 102 to 2.31 × 103, and the detectivity from 2.45 × 1012 to 2.78 × 1013, respectively. Such performance enhancement was attributed to the localized surface plasmon resonance (LSPR) effect caused by the HGNs according to both experiment and theoretical simulation. This study is believed to open up new opportunities for managing light and enhancing the device performance of other 1-D semiconductor nanostructures based optoelectronic devices and systems.

  2. Steady-state property and dynamics in graphene-nanoribbon-array lasers

    Science.gov (United States)

    Zhao, Xing-Hai; Shan, Guang-Cun; Shek, Chan-Hung

    2012-10-01

    In this work, we present a schematic configuration and device model for a graphene-nanoribbon (GNR)-array-based nanolaser, which consists of a three-variable rate equations that takes into account carrier capture and Pauli blocking in semiconductor GNR-array lasers to analyze the steady-state properties and dynamics in terms of the role of the capture rate and the gain coefficient in GNR array nanolasers. Furthermore, our GNR-array nanolaser device model can be determined as two distinct two-variable reductions of the rate equations in the limit of large capture rates, depending on their relative values. The first case leads to the rate equations for quantum well lasers, exhibiting relaxation oscillations dynamics. The second case corresponds to GNRs nearly saturated by the carriers and is characterized by the absence of relaxation oscillations. Our results here demonstrated that GNR-array as gain material embedded into a high finesse microcavity can serve as an ultralow lasing threshold nanolaser with promising applications ranging widely from optical fiber communication with increasing data processing speed to digital optical recording and biology spectroscopy

  3. Strain effect on graphene nanoribbon carrier statistic in the presence of non-parabolic band structure

    Science.gov (United States)

    Izuani Che Rosid, N. A.; Ahmadi, M. T.; Ismail, Razali

    2016-09-01

    The effect of tensile uniaxial strain on the non-parabolic electronic band structure of armchair graphene nanoribbon (AGNR) is investigated. In addition, the density of states and the carrier statistic based on the tight-binding Hamiltonian are modeled analytically. It is found that the property of AGNR in the non-parabolic band region is varied by the strain. The tunable energy band gap in AGNR upon strain at the minimum energy is described for each of n-AGNR families in the non-parabolic approximation. The behavior of AGNR in the presence of strain is attributed to the breakable AGNR electronic band structure, which varies the physical properties from its normality. The linear relation between the energy gap and the electrical properties is featured to further explain the characteristic of the deformed AGNR upon strain. Project supported by the Ministry of Higher Education (MOHE), Malaysia under the Fundamental Research Grant Scheme (FRGS) (Grant No.Q.J130000.7823.4F477). We also thank the Research Management Center (RMC) of Universiti Teknologi Malaysia (UTM) for providing an excellent research environment.

  4. Zepto-molar electrochemical detection of Brucella genome based on gold nanoribbons covered by gold nanoblooms

    Science.gov (United States)

    Rahi, Amid; Sattarahmady, Naghmeh; Heli, Hossein

    2015-12-01

    Gold nanoribbons covered by gold nanoblooms were sonoelectrodeposited on a polycrystalline gold surface at -1800 mV (vs. AgCl) with the assistance of ultrasound and co-occurrence of the hydrogen evolution reaction. The nanostructure, as a transducer, was utilized to immobilize a Brucella-specific probe and fabrication of a genosensor, and the process of immobilization and hybridization was detected by electrochemical methods, using methylene blue as a redox marker. The proposed method for detection of the complementary sequence, sequences with base-mismatched (one-, two- and three-base mismatches), and the sequence of non-complementary sequence was assayed. The fabricated genosensor was evaluated for the assay of the bacteria in the cultured and human samples without polymerase chain reactions (PCR). The genosensor could detect the complementary sequence with a calibration sensitivity of 0.40 μA dm3 mol-1, a linear concentration range of 10 zmol dm-3 to 10 pmol dm-3, and a detection limit of 1.71 zmol dm-3.

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

    Science.gov (United States)

    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.

  6. Preserving the edge magnetism of zigzag graphene nanoribbons by ethylene termination: insight by Clar's rule.

    Science.gov (United States)

    Li, Yafei; Zhou, Zhen; Cabrera, Carlos R; Chen, Zhongfang

    2013-01-01

    By means of density functional theory computations, we demonstrated that C2H4 is the ideal terminal group for zigzag graphene nanoribbons (zGNRs) in terms of preserving the edge magnetism with experimental feasibility. The C2H4 terminated zGNRs (C2H4-zGNRs) with pure sp(2) coordinated edges can be stabilized at rather mild experimental conditions, and meanwhile reproduce the electronic and magnetic properties of those hydrogen terminated zGNRs. Interestingly, the electronic structures and relative stability of C2H4-zGNRs with different edge configurations can be well interpreted by employing the Clar's rule. The multiple edge hyperconjugation interactions are responsible for the enhanced stability of the sp(2) coordinated edges of C2H4-zGNRs. Moreover, we demonstrated that even pure sp(2) termination is not a guarantee for edge magnetism, for example, C2H2 termination can couple to the π-electron system of zGNRs, and destroy the magnetism. Our studies would pave the way for the application of zGNRs in spintronics.

  7. Influence of doped nitrogen and vacancy defects on the thermal conductivity of graphene nanoribbons.

    Science.gov (United States)

    Yang, Haiying; Tang, Yunqing; Gong, Jie; Liu, Yu; Wang, Xiaoliang; Zhao, Yanfang; Yang, Ping; Wang, Shuting

    2013-11-01

    A systematic investigation of the thermal conductivity of zigzag graphene nanoribbons (ZGNRs) doped with nitrogen and containing a vacancy defect was performed using reverse nonequilibrium molecular dynamics (RNEMD). The investigation showed that the thermal conductivity of the ZGNRs was significantly reduced by nitrogen doping. The thermal conductivity dropped rapidly when the nitrogen doping concentration was low. Also, the presence of a vacancy defect was found to significantly decrease the thermal conductivity. Initially, as the vacancy moved from the heat sink to the heat source, the phonon frequency and the phonon energy increased, and the thermal conductivity decreased. When the distance between the vacancy in the ZGNR and the edge of the heat sink reached 2.214 nm, tunneling began to occur, allowing high-frequency phonons to pass through the vacancies and transfer some energy. The curve of the thermal conductivity of the ZGNRs versus the vacancy position was found to be pan-shaped, with the thermal conductivity of the ZGNRs controlled by the phonon. These findings could be useful when attempting to control heat transfer on the nanoscale using GNR-based thermal devices.

  8. Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation.

    Science.gov (United States)

    Zhang, Chao; Hao, Xiao-Li; Wang, Cui-Xia; Wei, Ning; Rabczuk, Timon

    2017-01-25

    Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12-16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications.

  9. Dibenzothiophene adsorption at boron doped carbon nanoribbons studied within density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    López-Albarrán, P. [Facultad de Ingeniería en Tecnología de la Madera, Universidad Michoacana de San Nicolás de Hidalgo, Santiago Tapia 403, CP 58000, Morelia, Michoacán (Mexico); Navarro-Santos, P., E-mail: pnavarrosa@conacyt.mx [Instituto de Investigaciones Químico-Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Santiago Tapia 403, CP 58000, Morelia, Michoacán (Mexico); Garcia-Ramirez, M. A. [Research Centre for Innovation in Aeronautical Engineering, Universidad Autónoma de Nuevo León, Ciudad Universitaria, San Nicolás de los Garza, CP 66451 Nuevo León (Mexico); Ricardo-Chávez, J. L. [Instituto Potosino de Investigación Científica y Tecnológica, Camino a la Presa San José 2055, Lomas 4" asección, CP 78216, San Luis Potosí, S. L. P. (Mexico)

    2015-06-21

    The adsorption of dibenzothiophene (DBT) on bare and boron-doped armchair carbon nanoribbons (ACNRs) is being investigated in the framework of the density functional theory by implementing periodic boundary conditions that include corrections from dispersion interactions. The reactivity of the ACNRs is characterized by using the Fukui functions as well as the electrostatic potential as local descriptors. Non-covalent adsorption mechanism is found when using the local Perdew-Becke-Ernzerhof functional, regardless of the DBT orientation and adsorption location. The dispersion interactions addition is a milestone to describe the adsorption process. The charge defects introduced in small number (i.e., by doping with B atoms), within the ACNRs increases the selectivity towards sulfur mainly due to the charge depletion at B sites. The DBT magnitude in the adsorption energy shows non-covalent interactions. As a consequence, the configurations where the DBT is adsorbed on a BC{sub 3} island increase the adsorption energy compared to random B arrangements. The stability of these configurations can be explained satisfactorily in terms of dipole interactions. Nevertheless, from the charge-density difference analysis and the weak Bader charge-distribution interactions cannot be ruled out completely. This is why the electronic properties of the ribbons are analyzed in order to elucidate the key role played by the B and DBT states in the adsorbed configurations.

  10. Theoretical study of quantum capacitance and associated delay in armchair-edge graphene nanoribbons

    Science.gov (United States)

    Hassan, Asif; Hossain, Md. Faruque; Rana, Md. Sohel; Kouzani, Abbas Z.

    2015-09-01

    This work presents a comprehensive investigation of the quantum capacitance and the associated effects on the carrier transit delay in armchair-edge graphene nanoribbons (A-GNRs) based on semi-analytical method. We emphasize on the realistic analysis of bandgap with taking edge effects into account by means of modified tight binding (TB) model. The results show that the edge effects have significant influence in defining the bandgap which is a necessary input in the accurate analyses of capacitance. The quantum capacitance is discussed in both nondegenerate (low gate voltage) and degenerate (high gate voltage) regimes. We observe that the classical capacitance limits the total gate (external) capacitance in the degenerate regime, whereas, quantum capacitance limits the external gate capacitance in the nondegenerate regime. The influence of gate capacitances on the gate delay is studied extensively to demonstrate the optimization of switching time. Moreover, the high-field behavior of a GNR is studied in the degenerate and nondegenerate regimes. We find that a smaller intrinsic capacitance appears in the channel due to high velocity carrier, which limits the quantum capacitance and thus limit the gate delay. Such detail analysis of GNRs considering a realistic model would be useful for the optimized design of GNR-based nanoelectronic devices.

  11. Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges

    Science.gov (United States)

    Fujita, N.; Hasnip, P. J.; Probert, M. I. J.; Yuan, J.

    2015-08-01

    A systematic study of simulated atomic-resolution electronic energy-loss spectroscopy (EELS) for different graphene nanoribbons (GNRs) is presented. The results of ab initio studies of carbon 1s core-loss EELS on GNRs with different ribbon edge structures and different hydrogen terminations show that theoretical core-loss EELS can distinguish key structural features at the atomic scale. In addition, the combination of polarized core-loss EELS with symmetry resolved electronic partial density of states calculations can be used to identify the origins of all the primary features in the spectra. For example, the nature of the GNR edge structure (armchair, zigzag, etc) can be identified, along with the degree of hydrogenation. Hence it is possible to use the combination of ab initio calculations with high resolution, high energy transmission core-loss EELS experiments to determine the local atomic arrangement and chemical bonding states (i.e. a structural fingerprint) in GNRs, which is essential for future practical applications of graphene.

  12. Adsorption of CO2 on Fe-doped graphene nano-ribbons: Investigation of transport properties

    Science.gov (United States)

    Othman, W.; Fahed, M.; Hatim, S.; Sherazi, A.; Berdiyorov, G.; Tit, N.

    2017-07-01

    Density functional theory combined with the non-equilibrium Green’s function formalism is used to study the conductance response of Fe-doped graphene nano-ribbons (GNRs) to CO2 gas adsorption. A single Fe atom is either adsorbed on GNR’s surface (aFe-graphene) or it substitutes the carbon atom (sFe-graphene). Metal atom doping reduces the electronic transmission of pristine graphene due to the localization of electronic states near the impurity site. Moreover, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. These behaviours are not only consolidated but rather confirmed by calculating the IV characteristics from which both surface resistance and its sensitivity to the gas are estimated. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing efficient graphene-based solid-state gas sensors.

  13. Synthesis of 4H/fcc Noble Multimetallic Nanoribbons for Electrocatalytic Hydrogen Evolution Reaction.

    Science.gov (United States)

    Fan, Zhanxi; Luo, Zhimin; Huang, Xiao; Li, Bing; Chen, Ye; Wang, Jie; Hu, Yanling; Zhang, Hua

    2016-02-03

    Noble multimetallic nanomaterials, if only consisting of Au, Ag, Pt, and Pd, typically adopt the high-symmetry face-centered cubic (fcc) structure. Here for the first time, by using the 4H/fcc Au@Ag nanoribbons (NRBs) as seeds, we report the synthesis of 4H/fcc trimetallic Au@PdAg core-shell NRBs via the galvanic reaction method under ambient conditions. Moreover, this strategy can also be used to synthesize 4H/fcc trimetallic Au@PtAg and quatermetallic Au@PtPdAg core-shell NRBs. Impressively, for the first time, these alloy shells, i.e., PdAg, PtAg, and PtPdAg, epitaxially grown on the 4H/fcc Au core with novel 4H hexagonal phase were successfully synthesized. Remarkably, the obtained 4H/fcc Au@PdAg NRBs exhibit excellent electrocatalytic activity toward the hydrogen evolution reaction, which is even quite close to that of the commercial Pt black. We believe that our findings here may provide a novel strategy for the crystal-structure-controlled synthesis of advanced functional noble multimetallic nanomaterials with various promising applications.

  14. Peculiar half-metallic state in zigzag nanoribbons of MoS2: Spin filtering

    Science.gov (United States)

    Khoeini, F.; Shakouri, Kh.; Peeters, F. M.

    2016-09-01

    Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies.

  15. Cytotoxicity of protein corona-graphene oxide nanoribbons on human epithelial cells

    Energy Technology Data Exchange (ETDEWEB)

    Mbeh, Doris A. [Laboratory for Innovation and Analysis of Bio-Performance, École Polytechnique, C.P. 6079, Succursale Centre-ville, Montréal, Québec H3C 3A7 (Canada); Akhavan, Omid, E-mail: oakhavan@sharif.edu [Department of Physics, Sharif University of Technology, P.O. Box 11155-9161, Tehran (Iran, Islamic Republic of); Institute for Nanoscience and Nanotechnology, Sharif University of Technology, P.O. Box 14588-89694, Tehran (Iran, Islamic Republic of); Javanbakht, Taraneh [Laboratory for Innovation and Analysis of Bio-Performance, École Polytechnique, C.P. 6079, Succursale Centre-ville, Montréal, Québec H3C 3A7 (Canada); Mahmoudi, Morteza [Department of Nanotechnology, Faculty of Pharmacy, Tehran University of Medical Sciences (Iran, Islamic Republic of); Yahia, L’Hocine [Laboratory for Innovation and Analysis of Bio-Performance, École Polytechnique, C.P. 6079, Succursale Centre-ville, Montréal, Québec H3C 3A7 (Canada)

    2014-11-30

    Highlights: • Graphene oxide nanoribons (GONRs) were synthesized by unzipping of multi-walled carbon nanotubes. • GONRs were functionalized by the albumin originated from the two different protein sources. • Concentration-dependent cytotoxicity of the functionalized GONRs was investigated on human epithelial cells. - Abstract: Graphene oxide nanoribbons (GONRs) were synthesized using an oxidative unzipping of multi-walled carbon nanotubes. The interactions of the GONRs with various concentrations of fetal bovine serum or human plasma serum indicated that the GONRs were functionalized substantially by the albumin originated from the two different protein sources. Then, concentration-dependent cytotoxicity of the protein-functionalized GONRs on human epithelial cells was studied. Although the GONRs with concentrations ≤50 μg/mL did not exhibit significant cytotoxicity on the cells (with the cell viability >85%), the concentration of 100 μg/mL exhibited significant cytotoxicity including prevention of cell proliferation and induction of cell apoptosis. These results can provide more in-depth understanding about cytotoxic effects of graphene nanostructures which can be functionalized by the proteins of media.

  16. Plasmonic silver nanosphere enhanced ZnSe nanoribbon/Si heterojunction optoelectronic devices.

    Science.gov (United States)

    Wang, Li; Chen, Ran; Ren, Zhi-Fei; Ge, Cai-Wang; Liu, Zhen-Xing; He, Shu-Juan; Yu, Yong-Qiang; Wu, Chun-Yan; Luo, Lin-Bao

    2016-05-27

    In this study, we report a localized surface plasmon resonance (LSPR) enhanced optoelectronic device based on a ZnSe:Sb nanoribbon (NR)/Si nano-heterojunction. We experimentally demonstrated that the LSPR peaks of plasmonic Ag nanoparticles (Ag NPs) can be readily tuned by changing their size distribution. Optical analysis reveals that the absorption of ZnSe:Sb NRs was increased after the decoration of the Ag NPs with strong LSPR. Further analysis of the optoelectronic device confirmed the device performance can be promoted: for example, the short-circuit photocurrent density of the ZnSe/Si heterojunction solar cell was improved by 57.6% from 11.75 to 18.52 mA cm(-2) compared to that without Ag NPs. Meanwhile, the responsivity and detectivity of the ZnSe:Sb NRs/Si heterojunction device increased from 117.2 to 184.8 mA W(-1), and from 5.86 × 10(11) to 9.20 × 10(11) cm Hz(1/2) W(-1), respectively.

  17. Tunable electronic properties of CdS nanoribbons by edge effects

    Science.gov (United States)

    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.

  18. First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device

    Directory of Open Access Journals (Sweden)

    Soubhik Chakrabarty

    2015-08-01

    Full Text Available We have studied using density functional theory and non-equilibrium Green’s function based approach, the electronic structures of 555-777 divacancy (DV defected armchair edged graphene nanoribbons (AGNR as well as the transport properties of AGNR based two-terminal devices constructed with one defected electrode and one N doped electrode. Introduction of 555-777 DV defect into AGNR results in shifting of the π and π∗ bands towards the higher energy value indicating a downward shift of the Fermi level. Formation of a potential barrier, analogous to that of conventional p-n junction, has been observed across the junction of defected and N-doped AGNR. The two terminal devices show diode like property with high rectifying efficiency for a wide range of bias voltages. The devices also show robust negative differential resistance with very high peak-to-valley ratio. Shift of the electrode energy states and modification of the transmission function with applied bias have been analyzed, in order to gain an insight into the nonlinear and asymmetric behavior of the current-voltage characteristics. Variation of the transport properties on the width of the ribbons has also been discussed.

  19. First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device

    Energy Technology Data Exchange (ETDEWEB)

    Chakrabarty, Soubhik; Wasey, A. H. M. Abdul; Das, G. P., E-mail: msgpd@iacs.res.in, E-mail: ranjit.t@res.srmuniv.ac.in [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-700032 (India); Thapa, Ranjit, E-mail: msgpd@iacs.res.in, E-mail: ranjit.t@res.srmuniv.ac.in [SRM Research Institute, SRM University, Kattankulathur - 603203, Tamil Nadu (India)

    2015-08-15

    We have studied using density functional theory and non-equilibrium Green’s function based approach, the electronic structures of 555-777 divacancy (DV) defected armchair edged graphene nanoribbons (AGNR) as well as the transport properties of AGNR based two-terminal devices constructed with one defected electrode and one N doped electrode. Introduction of 555-777 DV defect into AGNR results in shifting of the π and π∗ bands towards the higher energy value indicating a downward shift of the Fermi level. Formation of a potential barrier, analogous to that of conventional p-n junction, has been observed across the junction of defected and N-doped AGNR. The two terminal devices show diode like property with high rectifying efficiency for a wide range of bias voltages. The devices also show robust negative differential resistance with very high peak-to-valley ratio. Shift of the electrode energy states and modification of the transmission function with applied bias have been analyzed, in order to gain an insight into the nonlinear and asymmetric behavior of the current-voltage characteristics. Variation of the transport properties on the width of the ribbons has also been discussed.

  20. Morphological Transformation between Nanocoils and Nanoribbons via Defragmentation Structural Rearrangement or Fragmentation-recombination Mechanism

    Science.gov (United States)

    Zhang, Yibin; Zheng, Yingxuan; Xiong, Wei; Peng, Cheng; Zhang, Yifan; Duan, Ran; Che, Yanke; Zhao, Jincai

    2016-06-01

    Kinetic control over the assembly pathways towards novel metastable functional materials or far-from-equilibrium systems has been much less studied compared to the thermodynamic equilibrium self-assembly. Herein, we report the distinct morphological transformation between nanocoils and nanoribbons in the self-assembly of unsymmetric perylene diimide (PDI) molecules. We demonstrate that the morphological transformation of the kinetically trapped assemblies into the thermodynamically stable forms proceeds via two distinct mechanisms, i.e., a direct structural rearrangement (molecule 1 or 2) and a fragmentation-recombination mechanism (molecule 4), respectively. The subtle interplay of the steric hindrance of the bulky substituents and the flexibility of the linker structure between the bulky moiety and the perylene core was demonstrated to enable the effective modulation of the energetic landscape of the assemblies and thus modulation of the assembly pathways. Herein, our work presents a new approach to control the self-assembly pathways and thereby can be used to achieve novel far-from-equilibrium systems.

  1. Chirality of Single-Handed Twisted Titania Tubular Nanoribbons Prepared Through Sol-gel Transcription.

    Science.gov (United States)

    Wang, Sibing; Zhang, Chuanyong; Li, Yi; Li, Baozong; Yang, Yonggang

    2015-08-01

    Single-handed twisted titania tubular nanoribbons were prepared through sol-gel transcription using a pair of enantiomers. Handedness was controlled by that of the template. The obtained samples were characterized using field-emission electron microscopy, transmission electron microscopy, diffuse reflectance circular dichroism (DRCD), and X-ray diffraction. The DRCD spectra indicated that the titania nanotubes exhibit optical activity. Although the tubular structure was destroyed after being calcined at 700 °C for 2.0 h, DRCD signals were still identified. However, the DRCD signals disappeared after being calcined at 1000 °C for 2.0 h. The optical activity of titania was proposed to be due to chiral defects. Previous results showed that straight titania tubes could be used as asymmetric autocatalysts, indicating that titania exhibit chirality at the angstrom level. Herein, it was found that they also exhibit DRCD signals, indicating that there are no obvious relationships between morphology at the nano level and chirality at the angstrom level. The nanotube chirality should originate from the chiral defects on the nanotube inner surface. The Fourier transform infrared spectra indicated that the chirality of the titania was transferred from the gelators through the hydrogen bonding between N-H and Ti-OH.

  2. Vacancy Effects on the Electronic Properties of Silicene Nanoribbons under Uniaxial Tension

    Science.gov (United States)

    Hernández-Tecorralco, J.; Chávez-Castillo, M. R.; Meza-Montes, L.

    During the recent emergence of two-dimensional materials, scientists have shown great interest in graphene-like systems. Silicene, the silicon counterpart of graphene, has gained much attention due to its similarity to graphene. As a result, silicene could be used for applications not only in nano-electronics but also in nano-electromechanical systems. Nanoribbons (NRs) exhibit different edge geometries, i. e., armchair and zig-zag chiralities, their properties could be determined by the width and chirality of the NR. Moreover, properties could also be manipulated by doping, strain and defects. In this work, we study the response of electronic and mechanical properties of silicene-NRs to the presence of a monovacancy defect. The Quantum Espresso package is employed to perform calculations. The structural parameters, band structure, and electronic density of states are analyzed in pristine and vacancy-defective silicene-NRs without strain, for both chirality directions. Since the electronic properties could be affected by strain, we also performed calculations when tensile strain is applied. We found our results are in good agreement with previous results for the pristine case. Partially supported by VIEP-BUAP. We also thank LNS where the calculations were performed.

  3. Double gate graphene nanoribbon field effect transistor with single halo pocket in channel region

    Science.gov (United States)

    Naderi, Ali

    2016-01-01

    A new structure for graphene nanoribbon field-effect transistors (GNRFETs) is proposed and investigated using quantum simulation with a nonequilibrium Green's function (NEGF) method. Tunneling leakage current and ambipolar conduction are known effects for MOSFET-like GNRFETs. To minimize these issues a novel structure with a simple change of the GNRFETs by using single halo pocket in the intrinsic channel region, "Single Halo GNRFET (SH-GNRFET)", is proposed. An appropriate halo pocket at source side of channel is used to modify potential distribution of the gate region and weaken band to band tunneling (BTBT). In devices with materials like Si in channel region, doping type of halo and source/drain regions are different. But, here, due to the smaller bandgap of graphene, the mentioned doping types should be the same to reduce BTBT. Simulations have shown that in comparison with conventional GNRFET (C-GNRFET), an SH-GNRFET with appropriately halo doping results in a larger ON current (Ion), smaller OFF current (Ioff), a larger ON-OFF current ratio (Ion/Ioff), superior ambipolar characteristics, a reduced power-delay product and lower delay time.

  4. Inducing half-metallicity with enhanced stability in zigzag graphene nanoribbons via fluorine passivation

    Science.gov (United States)

    Jaiswal, Neeraj K.; Tyagi, Neha; Kumar, Amit; Srivastava, Pankaj

    2017-02-01

    Half metals are the primary ingredients for the realization of novel spintronic devices. In the present work, by employing density functional theory based first-principles calculation, we predict half metallic behavior in fluorine passivated zigzag graphene nanoribbons (F-ZGNR). Four different structures have been investigated viz. one edge F passivated ZGNR (F-ZGNR-1), both edges F passivated ZGNR (F-ZGNR-2), F passivation on alternate sites in first configuration (alt-1) and F passivation on alternate sites in second configuration (alt-2). Interestingly, it is noticed that F passivation is analogous to H passivation (pristine), however, F-ZGNR are reckoned energetically more stable than pristine ones. An spin induced band gap is noticed for all F-ZGNR irrespective of their widths although its magnitude is slightly less than the pristine counterparts. With an external transverse electric field, ribbons undergo semiconducting to half metallic transformation. The observed half metallic character with enhanced stability present F-ZGNR as a better candidate than pristine ZGNR towards the realization of upcoming spintronic devices.

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

    Science.gov (United States)

    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.

  6. Preferable binding site of gas molecules on graphene nanoribbon with Stone–Wales defect

    Science.gov (United States)

    Auzar, Zuriana; Johari, Zaharah; Sakina, S. H.; Alias, N. E.; Abidin, M. S. Z.

    2017-02-01

    The issue of sensitivity of sensing device has focused on the development of sensing devices by using new materials, such as graphene. The gas molecules in different positions such as on, near and far from the defect are placed in the same binding site in two graphene configurations for fair comparison. The interaction between two different graphene configurations such as (pristine armchair graphene nanoribbon (P-AGNR) and Stone–Wales defect on graphene surface (SW-AGNR)) with gas molecules (e.g. O2, N2 and NH3) have been investigated to observe the preferential position site of adsorbate gas molecules. The preferable position sites are investigated by using Extended-Huckel Theory. It is found that, the electronic properties of each configuration are strongly depends on the position of gas molecules and graphene system. Meanwhile, the binding site of the gas molecules on the defective site of graphene surface is a significant factor in determining the sensing behavior of graphene based gas defection device.

  7. Unified Drain Current Model of Armchair Graphene Nanoribbons with Uniaxial Strain and Quantum Effect

    Directory of Open Access Journals (Sweden)

    EngSiew Kang

    2014-01-01

    Full Text Available A unified current-voltage I-V model of uniaxial strained armchair graphene nanoribbons (AGNRs incorporating quantum confinement effects is presented in this paper. The I-V model is enhanced by integrating both linear and saturation regions into a unified and precise model of AGNRs. The derivation originates from energy dispersion throughout the entire Brillouin zone of uniaxial strained AGNRs based on the tight-binding approximation. Our results reveal the modification of the energy band gap, carrier density, and drain current upon strain. The effects of quantum confinement were investigated in terms of the quantum capacitance calculated from the broadening density of states. The results show that quantum effect is greatly dependent on the magnitude of applied strain, gate voltage, channel length, and oxide thickness. The discrepancies between the classical calculation and quantum calculation were also measured and it has been found to be as high as 19% drive current loss due to the quantum confinement. Our finding which is in good agreement with the published data provides significant insight into the device performance of uniaxial strained AGNRs in nanoelectronic applications.

  8. CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

    Directory of Open Access Journals (Sweden)

    G. R. Berdiyorov

    2016-12-01

    Full Text Available Decoration of graphene with metals and metal-oxides is known to be one of the effective methods to enhance gas sensing and catalytic properties of graphene. We use density functional theory in combination with the nonequilibrium Green’s function formalism to study the conductance response of Fe-doped graphene nanoribbons to CO2 gas adsorption. A single Fe atom is either adsorbed on graphene’s surface (aFe-graphene or it substitutes the carbon atom (sFe-graphene. Metal atom doping reduces the electronic transmission of pristine graphene due to the localization of electronic states near the impurities. The reduction in the transmission is more pronounced in the case of aFe-graphene. In addition, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. Pristine graphene is also found to be less sensitive to the molecular adsorption. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing graphene-based solid-state gas sensors.

  9. On the possibility of electrochemical unzipping of multiwalled carbon nanotubes to produce graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Zehtab Yazdi, Alireza; Roberts, Edward P.L.; Sundararaj, Uttandaraman, E-mail: u.sundararaj@ucalgary.ca

    2016-08-15

    Highlights: • MWCNTs synthesized and electrochemically oxidized to study the formation of GNR • HRTEM, Raman and XPS confirmed no successful unzipping occurred after oxidation • Electrochemical oxidation very unlikely facilitate formation of intercalated MWCNTs - Abstract: Multiwalled carbon nanotubes (MWCNTs) with different geometrical characteristics and chemical doping have been synthesized and electrochemically oxidized to study the possibility of unzipping, and creating graphene nanoribbon (GNR) nanostructures. Modified glassy carbon electrodes of the MWCNTs have been tested in an aqueous electrolyte via anodic scans in a wide range of potentials, followed by keeping at the maximum potential for different times. The microstructural features, structural defects, and functional groups and their elements have been then studied using high resolution transmission electron microscopy (HRTEM), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS), respectively. All results have confirmed that no successful unzipping occurs in the MWCNTs after electrochemical oxidation, even for the nitrogen-doped MWCNTs (CN{sub x}-MWCNTs) with reactive nitrogen groups and defective bamboo structures. In contrast to the report by Shinde et al. (J. Am. Chem. Soc. 2011, 133, 4168–4171), it has been concluded that the electrochemical oxidation in aqueous electrolytes is very unlikely to facilitate sufficient incorporation of the intercalated molecules among the walls of the MWCNTs. These molecules are, however, responsible for unzipping of MWCNTs.

  10. Electronic and optical properties of the narrowest armchair graphene nanoribbons studied by density functional methods

    CERN Document Server

    Yeh, Chia-Nan; Chai, Jeng-Da

    2016-01-01

    In the present study, a series of planar poly(p-phenylene) (PPP) oligomers with n phenyl rings (n = 1 - 20), designated as n-PP, are taken as finite-size models of the narrowest armchair graphene nanoribbons with hydrogen passivation. The singlet-triplet energy gap, vertical ionization potential, vertical electron affinity, fundamental gap, optical gap, and exciton binding energy of n-PP are calculated using Kohn-Sham density functional theory and time-dependent density functional theory with various exchange-correlation density functionals. The ground state of n-PP is shown to be singlet for all the chain lengths studied. In contrast to the lowest singlet state (i.e., the ground state), the lowest triplet state and the ground states of the cation and anion of n-PP are found to exhibit some multi-reference character. Overall, the electronic and optical properties of n-PP obtained from the omegaB97 and omegaB97X functionals are in excellent agreement with the available experimental data.

  11. First-principles study of Cl-terminated silicon nanoribbons electronic properties

    Science.gov (United States)

    Djabri, I.; Derradji, NE; Belghit, R.

    2016-10-01

    Based on density functional pseudopotential calculations, the electronic properties of Cl- -terminated silicene nanoribbons (SiNRs) -with either zigzag edge (ZSiNRs) or armchair edge (ASiNRs)- are studied. The results show that all the Cl-terminated ZSiNRs present a zero gaps except for the 2-, 3- and 4-ZSiNRs, which have narrow band gaps. We also found degenerate flat edge-state bands at Fermi level (EF),which give rise to a very large density of states (DOS). The Cl-terminated ASiNRs are semiconductors regardless of their widths and the band gaps exhibit oscillatory behavior allowing the classification into three distinct families as 3k, (3k + 1) and (3k + 2), where k is a positive integer. Furthermore, the band gaps are the largest for the 3k group, moderate for (3k+1) and the smallest for members of the (3k + 2). Because of the ρ—ϕ mixing effect, the total density of states (DOS) and projected density of states (PDOS) of Cl-terminated ASiNR show that the Cl atoms affect the width between the top of the valance band or the bottom of the conduction band. The charge density distributions show that there is covalent bonding between all sorts of Si-Si bonds, with ionic bonding between the edge Cl atom and the nearest Si atom. This results from the electro-negativity of Si atoms being smaller than that of Cl atoms.

  12. Optical properties of F- and H-terminated armchair silicon nanoribbons

    Science.gov (United States)

    Lu, Dao-Bang; Pu, Chun-Ying; Song, Yu-Ling; Pan, Qun-Na; Zhou, Da-Wei; Xu, Hai-Ru

    2015-12-01

    The optical properties of F- and H-terminated silicon nanoribbons with armchair edges (F- and H- terminated ASiNRs) are compared by using the first-principles within the density function theory (DFT) framework. The results show that compared with for H-terminated 7-ASiNR, the dielectric function for the F-terminated 7-ASiNR has a red shift, which is mainly attributed to the narrower band gap because of the σ-π mixing effect of F-Si bonds in F-terminated 7-ASiNR. The peaks in the energy loss spectra for both systems represent the characteristics associated with the plasma resonance, which correspond to the trailing edges in the reflection spectra. These properties show that the different terminated atoms in 7-ASiNRs affect mainly the optical properties in the low energy range. Because of the rich optical properties, the 7-ASiNR could be a potential candidate for photoelectric nanodevice. Project supported by the Henan Provincial Joint Funds of the National Natural Science Foundation of China (Grant Nos. U1404608 and U1304612), the Science and Technology Key Projects of Henan Province, China (Grant No. 1502102210124), and the Special Fund for Theoretical Science Foundation of Nanyang Normal University, China (Grant No. ZX2013018).

  13. Carbon-doping-induced negative differential resistance in armchair phosphorene nanoribbons

    Science.gov (United States)

    Guo, Caixia; Xia, Congxin; Wang, Tianxing; Liu, Yufang

    2017-03-01

    By using a combined method of density functional theory and non-equilibrium Green’s function formalism, we investigate the electronic transport properties of carbon-doped armchair phosphorene nanoribbons (APNRs). The results show that C atom doping can strongly affect the electronic transport properties of the APNR and change it from semiconductor to metal. Meanwhile, obvious negative differential resistance (NDR) behaviors are obtained by tuning the doping position and concentration. In particular, with reducing doping concentration, NDR peak position can enter into mV bias range. These results provide a theoretical support to design the related nanodevice by tuning the doping position and concentration in the APNRs. Project supported by the National Natural Science Foundation of China (No. 11274096), the University Science and Technology Innovation Team Support Project of Henan Province (No. 13IRTSTHN016), the University key Science Research Project of Henan Province (No.16A140043). The calculation about this work was supported by the High Performance Computing Center of Henan Normal University.

  14. Band gap engineering in finite elongated graphene nanoribbon heterojunctions: Tight-binding model

    Directory of Open Access Journals (Sweden)

    Benjamin O. Tayo

    2015-08-01

    Full Text Available A simple model based on the divide and conquer rule and tight-binding (TB approximation is employed for studying the role of finite size effect on the electronic properties of elongated graphene nanoribbon (GNR heterojunctions. In our model, the GNR heterojunction is divided into three parts: a left (L part, middle (M part, and right (R part. The left part is a GNR of width WL, the middle part is a GNR of width WM, and the right part is a GNR of width WR. We assume that the left and right parts of the GNR heterojunction interact with the middle part only. Under this approximation, the Hamiltonian of the system can be expressed as a block tridiagonal matrix. The matrix elements of the tridiagonal matrix are computed using real space nearest neighbor orthogonal TB approximation. The electronic structure of the GNR heterojunction is analyzed by computing the density of states. We demonstrate that for heterojunctions for which WL = WR, the band gap of the system can be tuned continuously by varying the length of the middle part, thus providing a new approach to band gap engineering in GNRs. Our TB results were compared with calculations employing divide and conquer rule in combination with density functional theory (DFT and were found to agree nicely.

  15. Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Abdullahi, Yusuf Zuntu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Kaduna State University, P.M.B. 2339, Kaduna State (Nigeria); Rahman, Md. Mahmudur, E-mail: mahmudur@upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Shuaibu, Alhassan [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109 Kaduna (Nigeria); Abubakar, Shamsu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Yobe State University, P.M.B. 1144, Yobe State (Nigeria); Zainuddin, Hishamuddin [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Institute for Mathematical Research, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Muhida, Rifki [Department of Physics-Energy Engineering, Surya University, Gedung 01 Scientia Business Park, Jl. Boulevard Gading Serpong Blok O/1, Summarecon Serpong, Tangerang 15810, Banten (Indonesia); Setiyanto, Henry [Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha no. 10, Bandung 40132 (Indonesia)

    2014-08-15

    In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

  16. Graphene nano-ribbon with nano-breaks as efficient thermoelectric device

    Science.gov (United States)

    Hossain, Md Sharafat; Al-Dirini, Feras; Jiang, Liming; Hossain, Faruque M.; Skafidas, Efstratios

    2015-12-01

    It has been well established that delta-like transport distribution of electron gives the best thermoelectric performance. On another front, it has been experimentally verified that graphene nano-ribbon with nano-break in the channel region exhibits tunnelling. Here, we utilize the tunnelling phenomena observed in graphene break junctions to achieve delta like transport distribution. Indeed our device exhibit record ZT ranging from 10 to 100. This high ZT can be attributed to complete blockage of phonon transport due to the break. The electrical conductance also goes very low, however, near the tunnelling energy it becomes significant, giving rise to an enhanced ZT value. In this report we investigate the effect edge orientation and the width of the ribbon on thermoelectric property. Moreover, we investigate the effect of temperature on tunnelling and how it affect thermoelectric performance. We find that there is an optimal temperature at which the device performs best. In the simulations, we assumed ballistic transport and used first principle approach to obtain the electrical properties. The phononic system was characterized by a Tersoff empirical potential model. The proposed device structure has potential applications as a two-dimensional nanoscale local cooler and as a thermoelectric power generator when connected in arrays.

  17. Improved double-gate armchair silicene nanoribbon field-effect-transistor at large transport bandgap

    Science.gov (United States)

    Mohsen, Mahmoudi; Zahra, Ahangari; Morteza, Fathipour

    2016-01-01

    The electrical characteristics of a double-gate armchair silicene nanoribbon field-effect-transistor (DG ASiNR FET) are thoroughly investigated by using a ballistic quantum transport model based on non-equilibrium Green’s function (NEGF) approach self-consistently coupled with a three-dimensional (3D) Poisson equation. We evaluate the influence of variation in uniaxial tensile strain, ribbon temperature and oxide thickness on the on-off current ratio, subthreshold swing, transconductance and the delay time of a 12-nm-length ultranarrow ASiNR FET. A novel two-parameter strain magnitude and temperature-dependent model is presented for designing an optimized device possessing balanced amelioration of all the electrical parameters. We demonstrate that employing HfO2 as the gate insulator can be a favorable choice and simultaneous use of it with proper combination of temperature and strain magnitude can achieve better device performance. Furthermore, a general model power (GMP) is derived which explicitly provides the electron effective mass as a function of the bandgap of a hydrogen passivated ASiNR under strain.

  18. Tuning a zigzag SiC nanoribbon as a thermal spin current generator

    Science.gov (United States)

    Jiang, Peng; Tao, Xixi; Hao, Hua; Song, Lingling; Zheng, Xiaohong; Zhang, Lei; Zeng, Zhi

    2017-09-01

    Quantum transport and spin current in a zigzag SiC nanoribbon device under a thermal gradient are investigated theoretically within the framework of the Landauer-Büttiker formalism using a first-principles technique. It is found that the edge state transport channels can be turned off or kept open by specific edge doping, and different spin channels can be controlled separately. Interestingly, by replacing an edge C atom with a B atom and an edge Si atom with a P atom in the scattering region, a Seebeck thermopower with different signs for different spins and a finite conductance for both spins can be obtained in the linear response regime. The subsequent thermoelectric field drives electrons of different spin channels in opposite directions, which leads unambiguously to a spin current. More importantly, by tuning the chemical potential and working temperature, pure spin current can be achieved. This provides a promising two-dimensional candidate system for producing pure spin current via the spin-dependent Seebeck effect.

  19. Topological phase and edge states dependence of the RKKY interaction in zigzag silicene nanoribbon

    Science.gov (United States)

    Zare, Moslem; Parhizgar, Fariborz; Asgari, Reza

    2016-07-01

    We propose versatile materials based on the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in a zigzag silicene nanoribbon (ZSNR) on half filling in the presence of an out-of-plane electric field. We show that the topological phase transition in the band dispersion of ZSNR can be probed by using the RKKY interaction. We find that, due to the zero-energy edge states of the ZSNR, the exchange coupling is significantly enhanced when the impurities are located on the zigzag edges, and also explore that the strength of the interaction in the topological insulator phase is much greater than that when the system is in the band insulator region. We present a model to investigate the phase of a system of two magnetic impurities located on the edge of the ZSNR and find that three different magnetic phases, spiral, ferromagnetic, and antiferromagnetic, are possible for different values of the electric field. This electrical tunability of the magnetic phases in silicene can be explored by using current experimental techniques and can be of interest in the field of spintronics.

  20. Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges.

    Science.gov (United States)

    Fujita, N; Hasnip, P J; Probert, M I J; Yuan, J

    2015-08-01

    A systematic study of simulated atomic-resolution electronic energy-loss spectroscopy (EELS) for different graphene nanoribbons (GNRs) is presented. The results of ab initio studies of carbon [Formula: see text] core-loss EELS on GNRs with different ribbon edge structures and different hydrogen terminations show that theoretical core-loss EELS can distinguish key structural features at the atomic scale. In addition, the combination of polarized core-loss EELS with symmetry resolved electronic partial density of states calculations can be used to identify the origins of all the primary features in the spectra. For example, the nature of the GNR edge structure (armchair, zigzag, etc) can be identified, along with the degree of hydrogenation. Hence it is possible to use the combination of ab initio calculations with high resolution, high energy transmission core-loss EELS experiments to determine the local atomic arrangement and chemical bonding states (i.e. a structural fingerprint) in GNRs, which is essential for future practical applications of graphene.

  1. Poly(ethylene oxide) Functionalized Graphene Nanoribbons with Excellent Solution Processability.

    Science.gov (United States)

    Huang, Yinjuan; Mai, Yiyong; Beser, Uliana; Teyssandier, Joan; Velpula, Gangamallaiah; van Gorp, Hans; Straasø, Lasse Arnt; Hansen, Michael Ryan; Rizzo, Daniele; Casiraghi, Cinzia; Yang, Rong; Zhang, Guangyu; Wu, Dongqing; Zhang, Fan; Yan, Deyue; De Feyter, Steven; Müllen, Klaus; Feng, Xinliang

    2016-08-17

    Structurally well-defined graphene nanoribbons (GNRs) have attracted great interest as next-generation semiconductor materials. The functionalization of GNRs with polymeric side chains, which can widely broaden GNR-related studies on physiochemical properties and potential applications, has remained unexplored. Here, we demonstrate the bottom-up solution synthesis of defect-free GNRs grafted with flexible poly(ethylene oxide) (PEO) chains. The GNR backbones possess an armchair edge structure with a width of 1.0-1.7 nm and mean lengths of 15-60 nm, enabling near-infrared absorption and a low bandgap of 1.3 eV. Remarkably, the PEO grafting renders the GNRs superb dispersibility in common organic solvents, with a record concentration of ∼1 mg mL(-1) (for GNR backbone) that is much higher than that (<0.01 mg mL(-1)) of reported GNRs. Moreover, the PEO-functionalized GNRs can be readily dispersed in water, accompanying with supramolecular helical nanowire formation. Scanning probe microscopy reveals raft-like self-assembled monolayers of uniform GNRs on graphite substrates. Thin-film-based field-effect transistors (FETs) of the GNRs exhibit a high carrier mobility of ∼0.3 cm(2) V(-1) s(-1), manifesting promising application of the polymer-functionalized GNRs in electronic devices.

  2. Dynamics of graphene nanoribbon with carbon nanotubes coexisting with [Bmim][Cl] molecules

    Science.gov (United States)

    Li, Yunfang

    2015-09-01

    Molecular dynamics simulations have been performed to investigate the dynamics of graphene nanoribbon (GNR) on single-walled carbon nanotubes (SWNTs) coexisting with 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]). The results indicate that in the wrapping and encapsulating processes when GNR interacts with SWNT, [Bmim][Cl] has an extremely different dynamics, showing an interesting dependence on tube size. Two GNRs can easily bring the [Bmim][Cl] into the hollow area of the formed double helix in the SWNT. The sequence of the interaction between these substances is E GNR-SWNT > E GNR-[Bmim][Cl] > E [Bmim][Cl]-SWNT. A high temperature will hinder the wrapping dynamics behavior of the GNR and even militate against the insertion dynamics of [Bmim][Cl]. The [Bmim][Cl] has nearly no effect on the dynamics of GNR on SWNT. Furthermore, the GNR can transport [Bmim][Cl] in the SWNT by expelling them. The proposed discoveries eventually provide a powerful way to fabricate nanoscale materials and devices and eventually tune their properties.

  3. Bondonic Effects in Group-IV Honeycomb Nanoribbons with Stone-Wales Topological Defects

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2014-04-01

    Full Text Available This work advances the modeling of bondonic effects on graphenic and honeycomb structures, with an original two-fold generalization: (i by employing the fourth order path integral bondonic formalism in considering the high order derivatives of the Wiener topological potential of those 1D systems; and (ii by modeling a class of honeycomb defective structures starting from graphene, the carbon-based reference case, and then generalizing the treatment to Si (silicene, Ge (germanene, Sn (stannene by using the fermionic two-degenerate statistical states function in terms of electronegativity. The honeycomb nanostructures present η-sized Stone-Wales topological defects, the isomeric dislocation dipoles originally called by authors Stone-Wales wave or SWw. For these defective nanoribbons the bondonic formalism foresees a specific phase-transition whose critical behavior shows typical bondonic fast critical time and bonding energies. The quantum transition of the ideal-to-defect structural transformations is fully described by computing the caloric capacities for nanostructures triggered by η-sized topological isomerisations. Present model may be easily applied to hetero-combinations of Group-IV elements like C-Si, C-Ge, C-Sn, Si-Ge, Si-Sn, Ge-Sn.

  4. Radio-frequency-transparent, electrically conductive graphene nanoribbon thin films as deicing heating layers.

    Science.gov (United States)

    Volman, Vladimir; Zhu, Yu; Raji, Abdul-Rahman O; Genorio, Bostjan; Lu, Wei; Xiang, Changsheng; Kittrell, Carter; Tour, James M

    2014-01-08

    Deicing heating layers are frequently used in covers of large radio-frequency (RF) equipment, such as radar, to remove ice that could damage the structures or make them unstable. Typically, the deicers are made using a metal framework and inorganic insulator; commercial resistive heating materials are often nontransparent to RF waves. The preparation of a sub-skin-depth thin film, whose thickness is very small relative to the RF skin (or penetration) depth, is the key to minimizing the RF absorption. The skin depth of typical metals is on the order of a micrometer at the gigahertz frequency range. As a result, it is very difficult for conventional conductive materials (such as metals) to form large-area sub-skin-depth films. In this report, we disclose a new deicing heating layer composite made using graphene nanoribbons (GNRs). We demonstrate that the GNR film is thin enough to permit RF transmission. This metal-free, ultralight, robust, and scalable graphene-based RF-transparent conductive coating could significantly reduce the size and cost of deicing coatings for RF equipment covers. This is important in many aviation and marine applications. This is a demonstration of the efficacy and applicability of GNRs to afford performances unattainable by conventional materials.

  5. Implementing Silicon Nanoribbon Field-Effect Transistors as Arrays for Multiple Ion Detection

    Directory of Open Access Journals (Sweden)

    Ralph L. Stoop

    2016-05-01

    Full Text Available Ionic gradients play a crucial role in the physiology of the human body, ranging from metabolism in cells to muscle contractions or brain activities. To monitor these ions, inexpensive, label-free chemical sensing devices are needed. Field-effect transistors (FETs based on silicon (Si nanowires or nanoribbons (NRs have a great potential as future biochemical sensors as they allow for the integration in microscopic devices at low production costs. Integrating NRs in dense arrays on a single chip expands the field of applications to implantable electrodes or multifunctional chemical sensing platforms. Ideally, such a platform is capable of detecting numerous species in a complex analyte. Here, we demonstrate the basis for simultaneous sodium and fluoride ion detection with a single sensor chip consisting of arrays of gold-coated SiNR FETs. A microfluidic system with individual channels allows modifying the NR surfaces with self-assembled monolayers of two types of ion receptors sensitive to sodium and fluoride ions. The functionalization procedure results in a differential setup having active fluoride- and sodium-sensitive NRs together with bare gold control NRs on the same chip. Comparing functionalized NRs with control NRs allows the compensation of non-specific contributions from changes in the background electrolyte concentration and reveals the response to the targeted species.

  6. Electronic properties and carrier mobilities of 6,6,12-graphyne nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Heyu; Huang, Yuanhe, E-mail: yuanhe@bnu.edu.cn [College of Chemistry, Beijing Normal University, Beijing, 100875 (China); Bai, Hongcun [Key Laboratory of Energy Sources and Chemical Engineering, Ningxia University, Yinchuan, Ningxia 750021 (China)

    2015-07-15

    Structures, stabilities, electronic properties and carrier mobilities of 6,6,12-graphyne nanoribbons (GyNRs) with armchair and zigzag edges are investigated using the self-consistent field crystal orbital method based on density functional theory. It is found that the 1D GyNRs are more stable than the 2D 6,6,12-graphyne sheet in the view of the Gibbs free energy. The stabilities of these GyNRs decrease as their widths increase. The calculated band structures show that all these GyNRs are semiconductors and that dependence of band gaps on the ribbon width is different from different types of the GyNRs. The carrier mobility was calculated based on the deformation theory and effective mass approach. It is found that the carrier mobilities of these GyNRs can reach the order of 10{sup 5} cm{sup 2} V {sup –1}s{sup –1} at room temperature and are comparable to those of graphene NRs. Moreover, change of the mobilities with change of the ribbon width is quite different from different types of the GyNRs.

  7. Size dependent electronic and magnetic properties of ultra thin graphene nanoribbons

    Science.gov (United States)

    Kumar, Sandeep; Meenakshi; Sharma, Hitesh

    2016-09-01

    We present the results of systematic investigation into size dependent electronic and magnetic properties of ultra thin graphene nanoribbons (GNRs) of finite and infinite length using spin polarized density functional calculation. The rectangular GNRs with width up to 1.40 nm with finite (2.50 nm) and infinite length were investigated. The ultra thin GNRs are found less stable in comparison to larger GNRs with binding energy increasing with increase in the size. All GNRs have shown finite HOMO-LUMO gap which decreases oscillatory as a function of width. HOMO-LUMO gap in the Finite length armchair GNRs is in range of 0.01-0.36 eV, where as in infinite length GNR the energy gap is in the range of 0.30-1.41 eV. Zigzag GNRs have shown very small HOMO-LUMO gap in the range 50-80 meV. The zigzag GNR have shown opening of energy band gap. However, for N = 8 and 10 layers, GNRs with zigzag edges are found to be ferromagnetic. The edge C atom on zigzag edges contribute magnetic moment of 0.94 {μ }B per C atom with total magnetic moment remaining constant with increase in the width. The energy difference between ferromagnetic and anti-ferromagnetic state decreases sharply with the increase in GNR width suggesting iso-energetic behavior in larger GNRs. The results are consistent with the reported experimental results.

  8. Finite-width effects for the localized edge modes in zigzag graphene nanoribbons

    Science.gov (United States)

    Akbari-Sharbaf, Arash; Cottam, Michael G.

    2016-06-01

    A matrix formalism is used to derive the analytical Green's functions describing correlations between any two atomic sites on a zigzag (ZZ) graphene nanoribbon, incorporating modified electronic hopping values between edge sites that may be distinct from the hopping between interior sites. An analysis of the poles of our Green's functions shows two distinct types of localized edge modes in the electronic spectrum. The first of these, the "zero" mode, is a topologically induced mode arising from the bipartite honeycomb lattice structure of graphene and is always present along ZZ edges. The second type of localized edge mode is present at edges when the edge-to-bulk hopping ratio deviates significantly from unity. The correlations between edge sites are found to exhibit strikingly different features when mediated by the zero edge mode compared with mediation by the "modified" edge mode. In particular, the zero-mode spectral intensity for correlations between two atomic sites along opposite edges can be comparable in strength with that between two sites on the same edge of a finite-width ribbon, before it eventually tends to zero as the ribbon width tends to infinity. This remarkable behavior shows a strong dependence on the sublattice labels of the sites and is in contrast with properties of the modified hopping edge modes. The explicit form of our analytical expressions for the electronic spectrum enables us to predict the zero-mode properties (including frequency, spatial attenuation, and intensity) when the hopping values along ZZ edges are modified.

  9. Electronic properties and carrier mobilities of 6,6,12-graphyne nanoribbons

    Directory of Open Access Journals (Sweden)

    Heyu Ding

    2015-07-01

    Full Text Available Structures, stabilities, electronic properties and carrier mobilities of 6,6,12-graphyne nanoribbons (GyNRs with armchair and zigzag edges are investigated using the self-consistent field crystal orbital method based on density functional theory. It is found that the 1D GyNRs are more stable than the 2D 6,6,12-graphyne sheet in the view of the Gibbs free energy. The stabilities of these GyNRs decrease as their widths increase. The calculated band structures show that all these GyNRs are semiconductors and that dependence of band gaps on the ribbon width is different from different types of the GyNRs. The carrier mobility was calculated based on the deformation theory and effective mass approach. It is found that the carrier mobilities of these GyNRs can reach the order of 105 cm2 V –1s–1 at room temperature and are comparable to those of graphene NRs. Moreover, change of the mobilities with change of the ribbon width is quite different from different types of the GyNRs.

  10. Longitudinal and transverse vibration control of electronic conductance of a ladder-like graphene nanoribbon

    Science.gov (United States)

    Esmaili, Esmat; Mardaani, Mohammad; Rabani, Hassan

    2016-09-01

    The coherent electronic transport in a lengthy narrow nanoribbon, which the atoms of a part of it vibrate in some special modes, is modeled analytically within the tight-binding and harmonic approximations. For the small vibrations, the longitudinal and transverse modes are discussed separately. Two in-plane and one out-of-plane vibrating modes are assumed for the vibratory part which is considered as the center wire. The modes which cause the phononic excitations leading to electron-phonon (e-ph) interaction, are chosen in order to present exact analytic formulation. Moreover, we suppose that the bonds in the benzene rings in the center wire are the same or not the same as the rings in the other parts. We found that in-plane atomic vibrations have greater influence on the conductance with respect to the out-of-plane one. Since two conductance channels contribute in the transport, in the overlapping region of their energy bands, the conductance is affected more by the e-ph interaction. Furthermore, the increase electron scattering originating from decrease of electron group velocity, destroys the conductance at the edges of the system energy band.

  11. Spintronic devices based on graphene nanoribbons with transition metal impurities. Towards space applications

    Directory of Open Access Journals (Sweden)

    Daniela ENCIU

    2014-03-01

    Full Text Available Very recent publications draw the attention to a possible revolution that nanotechnology can cause in aviation. The effervescence in the peak field of nanomaterials is remarkable, as evidenced by the number of Nobel prizes recently awarded. A class of nanomaterials, the nanosensors, whose object of study is the present work, represents a special interest in space applications. More specifically, this article proposes the synthesis of a nanosensor based on active control and manipulation of spin degrees of freedom in the graphene nanoribbons (GNR, the strongest known substance. Thus, the physical model, a GNR, is electrically connected to two electrodes. Different variations of Mn (Manganese impurities in graphene, with the spins having preset configurations, are considered. When a magnetic field is detected, their spin change causing changes in the total energy and hence the variation of transmission function. Therefore, the concept of active control, which originated in the flight control and structural vibration problems, is naturally extended herein to the nanosensors synthesis. The used physico-mathematical model to determine the spin transport and the transmission function is based on density functional theory, Kohn-Sham equations and the SIESTA package. The differences between distinct GNR excited states were determined and it was established that the energy range overlaps the mid-infrared wavelengths. Therefore, structures of this kind may serve in spatial applications which exploit the infrared atmospheric window.

  12. Spatially Resolving Spin-split Edge States of Chiral Graphene Nanoribbons

    Science.gov (United States)

    Crommie, M. F.

    2011-03-01

    A central question in the field of graphene-related research is how graphene behaves when it is patterned at the nanometer scale with different edge geometries. The most fundamental shape in this regard is the graphene nanoribbon (GNR), a narrow strip of graphene that is characterized by its width and chirality. GNRs have been predicted to exhibit a wide range of behavior that includes tunable energy gaps and unique 1D edge states with unusual magnetic structure. I will discuss a scanning tunneling microscopy and spectroscopy (STS) study of GNRs that allows us to examine how GNR electronic structure depends on the chirality of atomically well-defined GNR edges. Our STS measurements reveal the presence of 1D GNR edge states that closely match theoretical expectations for GNRs of similar width and chirality. We additionally observe width-dependent energy splitting in GNR edge states, providing compelling evidence of their magnetic nature. This work performed in collaboration with Chenggang Tao, Liying Jiao, Oleg V. Yazyev, Yen-Chia Chen, Juanjuan Feng, Xiaowei Zhang, Rodrigo B. Capaz, James M. Tour, Alex Zettl, Steven G. Louie, and Hongjie Dai.

  13. Characteristic electron transport on pyridine-linked molecular devices with graphene nanoribbons electrodes and gold electrodes

    Science.gov (United States)

    Li, Jie; Zhou, Yi; Zhang, Leining; Li, Hui

    2016-09-01

    The electrodes in the molecular devices play a crucial role in creating functional organic electronic devices. We employed the first-principles calculations to investigate the conjugated pyridine-terminated molecule-4, 4‧-vinylenedipyridine attached to monolayer zigzag graphene nanoribbons (ZGNRs) and Au electrodes. Results show that the ZGNRs-based device exhibits excellent electrical properties. It has larger equilibrium conductance or stronger transmission capacity due to higher strength of individual channel and stronger delocalization of electronic states at the Fermi level. The transmission of two devices near the Fermi level is influenced by resonant electron transport through the discrete energy and the edge states. Comparatively, different from the rising trend of gold-based device with the increasing voltage, the current of the device with ZGNRs electrodes changes in a completely different way with the augment of the applied voltage, exhibiting a negative differential resistance effect unexpectedly. The changing trends of the current through two devices are elucidated by the evolution of the transmission peak nearest to the Fermi level.

  14. Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

    Science.gov (United States)

    Zhang, Chao; Hao, Xiao-Li; Wang, Cui-Xia; Wei, Ning; Rabczuk, Timon

    2017-01-01

    Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12–16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications. PMID:28120921

  15. CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

    Science.gov (United States)

    Berdiyorov, G. R.; Abdullah, H.; Al Ezzi, M.; Rakhmatullaeva, G. V.; Bahlouli, H.; Tit, N.

    2016-12-01

    Decoration of graphene with metals and metal-oxides is known to be one of the effective methods to enhance gas sensing and catalytic properties of graphene. We use density functional theory in combination with the nonequilibrium Green's function formalism to study the conductance response of Fe-doped graphene nanoribbons to CO2 gas adsorption. A single Fe atom is either adsorbed on graphene's surface (aFe-graphene) or it substitutes the carbon atom (sFe-graphene). Metal atom doping reduces the electronic transmission of pristine graphene due to the localization of electronic states near the impurities. The reduction in the transmission is more pronounced in the case of aFe-graphene. In addition, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. Pristine graphene is also found to be less sensitive to the molecular adsorption. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing graphene-based solid-state gas sensors.

  16. Ultrathin Li3VO4 Nanoribbon/Graphene Sandwich-Like Nanostructures with Ultrahigh Lithium ion Storage Properties

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Pei-Jun; Liu, Jun N.; Liang, Shuquan; Liu, Jun; Wang, W. J.; Lei, Ming; Tang, Shasha; Yang, Qian

    2015-03-01

    Two-dimensional (2D) "graphene-like" inorganic materials, because of the short lithium ion diffusion path and unique 2D carrier pathways, become a new research focus of the lithium storages. Some "graphene-like" binary compounds, such as, MnO2, MoS2 and VO2 ultrathin nanosheets, have been synthesized by a peeling method, which also exhibit enhanced lithium storage performances. However, it still remains a great challenge to synthesize widely-used lithium-containing ternary oxides with "graphene-like" nanostructures, because the lithium-containing ternary oxides, unlike ternary layered double hydroxides (LDH), are very hard to be directly peeled. Herein, we successfully synthesized ultrathin Li3VO4 nanoribbons with a thickness of about 3 nm by transformation from ultrathin V2O5•xH2O nanoribbons, moreover, we achieved the preparation of ultrathin Li3VO4 nanoribbon@graphene sandwich-like nanostructures (LVO/G) through a layer-by-layer assembly method. The unique sandwich-like nanostructures shows not only a high specific reversible capacitance (up to 452.5 mA h•g-1 after 200 cycles) but also an excellent cycling performance (with more than 299.2 mA h•g-1 of the capacity at 10 C after 1000 cycles) as well as very high rate capability. Such template strategy, using "graphene-like" binary inorganic nanosheets as templates to synthesize lithium-containing ternary oxide nanosheets, may be extended to prepare other ternary oxides with "graphene-like" nanostructures

  17. What will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties.

    Science.gov (United States)

    García-Fuente, A; Carrete, J; Vega, A; Gallego, L J

    2017-01-04

    We report a density-functional theory study of the stability and electronic structure of two recently proposed borophene sheets with Pmmn symmetry and nonzero thickness. We then investigate nanoribbons (BNRs) derived from these nanostructures, with particular attention to technologically relevant properties like magnetism and electronic transport. We consider two perpendicular directions for the edges of the stripes as well as different lateral widths. We show that the Pmmn8 sheet, with 8 atoms in its unit cell and generated by two interpenetrating lattices, has a larger binding energy than the Pmmn2 sheet, with only 2 atoms per unit cell. We also use their phonon spectra to show that the mechanical stability of the Pmmn8 sheet is superior to that of the Pmmn2 sheet. Nanoribbons derived from Pmmn8 are not only more stable than those derived from Pmmn2, but also more interesting from the technological point of view. We find a rich variety of magnetic solutions, depending on the borophene "mother structure", edge orientation, width and, in the case of Pmmn8-derived BNRs, the sublattice of edge atoms. We show that one can build BNRs with magnetic moment in both, one or none of the edges, as well as with parallel or antiparallel magnetic coupling between the edges when magnetic; moreover, their electronic character can be semiconducting, metallic or half-metallic, creating a perfect spin valve at low bias. These different behaviors are reflected in their densities of states, spin density and electronic transport coefficients, which are analyzed in detail. Our work provides a complete overview of what one may expect if nanoribbons are cut out from Pmmn sheets with a view to potential technological applications.

  18. One-pot synthesis of fluorescent carbon nanoribbons, nanoparticles, and graphene by the exfoliation of graphite in ionic liquids.

    Science.gov (United States)

    Lu, Jiong; Yang, Jia-xiang; Wang, Junzhong; Lim, Ailian; Wang, Shuai; Loh, Kian Ping

    2009-08-25

    In this work we demonstrate a facile means to generate fluorescent carbon nanoribbons, nanoparticles, and graphene from graphite electrode using ionic liquid-assisted electrochemical exfoliation. A time-dependence study of products exfoliated from the graphite anode allows the reconstruction of the exfoliation mechanism based on the interplay of anodic oxidation and anion intercalation. We have developed strategies to control the distribution of the exfoliated products. In addition, the fluorescence of these carbon nanomaterials can be tuned from the visible to ultraviolet region by controlling the water content in the ionic liquid electrolyte.

  19. First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes

    DEFF Research Database (Denmark)

    Nikolic, Branislav K.; Saha, Kamal K.; Markussen, Troels

    2012-01-01

    We overview the nonequilibrium Green function combined with density functional theory (NEGF-DFT) approach to modeling of independent electronic and phononic quantum transport in nanoscale thermoelectrics with examples focused on a new class of devices where a single organic molecule is attached...... to two metallic zigzag graphene nanoribbons (ZGNRs) via highly transparent contacts. Such contacts make possible injection of evanescent wavefunctions from the ZGNR electrodes, so that their overlap within the molecular region generates a peak in the electronic transmission around the Fermi energy...

  20. Quantum transport behavior of Ni-based dinuclear complexes in presence of zigzag graphene nanoribbon as electrode

    Science.gov (United States)

    Sarkar, Sunandan; Pramanik, Anup; Sarkar, Pranab

    2016-10-01

    Quantum transport properties of some Ni-based dinuclear complexes with different polydentate organic ligands have been studied by applying abinitio density functional theory along with nonequilibrium Green's function formulations. It is demonstrated that these materials are capable of showing multifunctional spin dependent properties by the influence of edge states of zigzag edged graphene nanoribbons. The current-voltage characteristics of these materials show spin dependent negative differential resistance behavior, spin filtering effect, and also voltage rectifying property. Proper tuning of these materials can alter these effects which may be utilized in various spintronic devices.

  1. Enhanced half-metallicity in the zigzag graphene nanoribbons by adsorption of the zigzag hydrogen fluoride molecular chains

    Directory of Open Access Journals (Sweden)

    Xue Gong

    2014-06-01

    Full Text Available A comprehensive theoretical study of the half-metallicity in the zigzag graphene nanoribbons (ZGNRs by adsorption of the zigzag hydrogen fluoride chains was presented. The ZGNR by adsorption of the hydrogen fluoride chains could be half-metallic when a critical length of the hydrogen fluoride chain is achieved on the ZGNR at low temperature. It was found that the strong dipole moments of the hydrogen fluoride chains act as the constant electric field. Our results suggest a huge possibility in spintronics device applications for achieving half-metallicity in the ZGNRs without the excessively high external electric fields.

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

    Science.gov (United States)

    He, Shenglai; Russakoff, Arthur; Li, Yonghui; Varga, Kálmán

    2016-07-01

    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 conductance observed in recent experiments.

  3. WO3 nano-ribbons: their phase transformation from tungstite (WO3·H2O) to tungsten oxide (WO3)

    DEFF Research Database (Denmark)

    Ahmadi, Majid; Sahoo, Satyaprakash; Younesi, Reza

    2014-01-01

    Tungsten oxide (WO3) nano-ribbons (NRs) were obtained by annealing tungstite (WO3·H2O) NRs. The latter was synthesized below room temperature using a simple, environmentally benign, and low cost aging treatment of precursors made by adding hydrochloric acid to diluted sodium tungstate solutions (Na...

  4. Tuning the electronic properties of armchair carbon nanoribbons by a selective boron doping

    Energy Technology Data Exchange (ETDEWEB)

    Navarro-Santos, P; Ricardo-Chavez, J L; Lopez-Sandoval, R [Instituto Potosino de Investigacion Cientifica y Tecnologica, Camino a la presa San Jose 2055, San Luis Potosi 78216 (Mexico); Reyes-Reyes, M [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, San Luis Potosi 78000 (Mexico); Rivera, J L, E-mail: sandov@ipicyt.edu.m [Facultad de Ingenieria Quimica, Universidad Michoacana de San Nicolas de Hidalgo, Santiago Tapia 403, Morelia, Michoacan, 58000 (Mexico)

    2010-12-22

    Armchair carbon nanoribbons (ACNRs) substitutionally doped with boron atoms are investigated in the framework of first-principles density functional theory. Different boron-boron arrangements and concentrations are considered in order to simulate possible aggregation patterns, their structural stability and electronic behavior are determined as a function of ribbon size. In agreement with previous studies, our results show that the dopant atoms have in general a preference for edge sites, but specific effects appear as a function of concentration that importantly modify the properties of the ribbons compared to the pristine case. Interesting tendencies are discovered as a function of dopant concentration that significantly affect the electronic properties of the ribbons. We have found that BC{sub 3} island formation and edge doping are the most important factors for the structural stabilization of the ribbons with high boron concentration (>7%) whereas for the cases of low boron concentrations (<5%) the structural stabilities are similar. For all the doped cases, we have found that the BC{sub 3} island patterns give rise to highly localized B states on top of the Fermi level, resulting in semiconducting behavior. On the other hand, when the average distance between the B atoms increases beyond island stoichiometry, the localization of their states is reduced and the ribbons may become metallic due to a band crossing caused by the lowering of the Fermi level resulting from the positive charge doping. Thus, tuning the dopant interaction would be an appropriate way to tailor the electronic properties of the ribbons in a convenient manner in view of potential technological applications.

  5. Weak Antilocalization in Bi 2 (Se x Te 1– x ) 3 Nanoribbons and Nanoplates

    KAUST Repository

    Cha, Judy J.

    2012-02-08

    Studying the surface states of Bi 2Se 3 and Bi 2Te 3 topological insulators has proven challenging due to the high bulk carrier density that masks the surface states. Ternary compound Bi 2(Se xTe 1-x) 3 may present a solution to the current materials challenge by lowering the bulk carrier mobility significantly. Here, we synthesized Bi 2(Se xTe 1-x) 3 nanoribbons and nanoplates via vapor-liquid-solid and vapor-solid growth methods where the atomic ratio x was controlled by the molecular ratio of Bi 2Se 3 to Bi 2Te 3 in the source mixture and ranged between 0 and 1. For the whole range of x, the ternary nanostructures are single crystalline without phase segregation, and their carrier densities decrease with x. However, the lowest electron density is still high (∼10 19 cm -3) and the mobility low, suggesting that the majority of these carriers may come from impurity states. Despite the high carrier density, weak antilocalization (WAL) is clearly observed. Angle-dependent magnetoconductance study shows that an appropriate magnetic field range is critical to capture a true, two-dimensional (2D) WAL effect, and a fit to the 2D localization theory gives α of -0.97, suggesting its origin may be the topological surface states. The power law dependence of the dephasing length on temperature is ∼T -0.49 within the appropriate field range (∼0.3 T), again reflecting the 2D nature of the WAL. Careful analysis on WAL shows how the surface states and the bulk/impurity states may interact with each other. © 2012 American Chemical Society.

  6. Electronic properties and relative stabilities of heterogeneous edge-decorated zigzag boron nitride nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Li, L.L., E-mail: liabc@hebut.edu.cn; Yu, X.F.; Yang, X.J.; Zhang, X.H.; Xu, X.W.; Jin, P.; Zhao, J.L.; Wang, X.X.; Tang, C.C., E-mail: tangcc@hebut.edu.cn

    2015-11-15

    The wide band gap of boron nitride (BN) materials has been a major bottleneck for a wider application of BN in electronics. In this work, density functional theory computations were used to study the band structure of zigzag BN nanoribbons (BNNRs). Due to the ionic origin of the BN band gap, a heterogeneous edge decoration is an effective way to modulate the electronic band structure of BNNRs. This study demonstrates that a metallic behavior and magnetism can be realized by applying a NO{sub 2}–NH{sub 2} pair edge decoration. Although the lone electron pair of the NH{sub 2} group is partly responsible for the metallic behavior, the effective potential difference induced by the donor–acceptor pair is also crucial for metallic behavior. Furthermore, these newly formed BNNRs were found to be more stable than H-passivated BNNRs. This simple chemical modification method offers great opportunities for the development of future BNNR-based electronic devices. - Graphical abstract: Due to the ionic origin of a BN band gap, heterogeneous edge decoration is an effective way to modulate its electronic structures. Metallicity and magnetism can be realized by NO{sub 2}–NH{sub 2} pair decoration. Although the N lone pair electrons in NH{sub 2} group are responsible for the metallicity, the effective potential difference induced by a donor–acceptor pair is crucial for the formation of metallicity. - Highlights: • Heterogeneous edge decoration is effective for tuning BNNRs' electronic structures. • NO{sub 2}–NH{sub 2} pair decoration can lead to metallic behavior and magnetism for BNNRs. • The effective potential difference is crucial for the formation of metallicity. • NO{sub 2}–NH{sub 2} pair decorated BNNRs is more stable than H-passivated ones.

  7. Enzymatic Degradation of Oxidized and Reduced Graphene Nanoribbons by Lignin Peroxidase.

    Science.gov (United States)

    Lalwani, Gaurav; Xing, Weiliang; Sitharaman, Balaji

    2014-10-01

    The expanding use of graphene for various industrial and biomedical applications requires efficient remediation strategies during their disposal into waste streams. Additionally, the interactions of graphene with the biota need thorough evaluation. In this study, we investigated the interactions of oxidized and reduced graphene oxide nanoribbons (GONRs and rGONRs) with lignin peroxidase (LiP), a ligninolytic enzyme released from white rot fungus. GONRs and rGONRs were treated with LiP in the presence and absence of veratryl alcohol (VA; an electron transfer mediator and secondary metabolite of white rot fungi). Transmission electron microscopy showed the formation of large defects (holes) in the graphene sheet, which increased in diameter with increased degradation time. Raman spectroscopic analysis indicated that, within 96 hours, in the presence of hydrogen peroxide and VA, the GONRs and rGONRs were completely and partially degraded by LiP, respectively. Comparisons between groups with or without VA showed that degradation of GONRs was accelerated in the presence of VA. These results indicated that LiP could efficiently degrade GONRs and rGONRs in the presence of VA, suggesting that VA may be an essential factor needed to degrade rGONRs via LiP treatment. Thus, the wide presence of white rot fungi, and thereby LiP, in nature, could lead to efficient degradation of graphene present in the environment. Additionally, LiP, which has a higher theoretical redox potential compared to horseradish peroxidases and myeloperoxidases, could be a better candidate for the environmental remediation of graphene.

  8. Edge reconstruction effect in pristine and H-passivated zigzag silicon carbide nanoribbons.

    Science.gov (United States)

    Lou, Ping

    2011-10-14

    The edge reconstruction effect of the zigzag silicon carbide nanoribbons (zz SiC NRs) to a stable line of alternatively fused seven and five membered rings without and with H passivation have been studied using first principles density functional theory (DFT). The both side's edges of the pristine SiC are respectively terminated by Si and C atoms and are called the Si-edge and the C-edge, respectively. In the un-passivated systems, the C-edge reconstructed (Crc) could effectively lower the edge energy of the system, while the Si-edge reconstructed (Sirc) could raise the edge energy of the system. Thus, the Crc edge is the best edge for the edge reconstruction of the system, while the both edge reconstructed (brc) system is the metastability. Moreover, the brc system has a nonmagnetic metallic state, whereas the Crc system, as well as Sirc system, has a ferromagnetic metallic state. The edge reconstructed destroys the magnetic moment of the corresponding edge atoms. The magnetic moment arises from the unreconstructed zigzag edges. The pristine zz edge system has a ferrimagnetic metallic state. However, in the H-passivated systems, the unreconstructed zigzag edge (zz-H) is the best edge. The Crc-H system is the metastability. The Sirc-H system has only slightly higher energy than the Crc-H system, whereas the brc-H system of the pristine SiC NR has the highest edge energy. Thus, the H passivation would prevent the occurrence of edge reconstruction. Moreover, H passivation induces a metal-semiconductor transition in the zz and brc SiC NRs. Additionally, except for brc-H system which has non-magnetic semiconducting state, the zz-H, Crc-H, and Sirc-H systems have the magnetic state.

  9. Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons.

    Science.gov (United States)

    Magda, Gábor Zsolt; Jin, Xiaozhan; Hagymási, Imre; Vancsó, Péter; Osváth, Zoltán; Nemes-Incze, Péter; Hwang, Chanyong; Biró, László P; Tapasztó, Levente

    2014-10-30

    The possibility that non-magnetic materials such as carbon could exhibit a novel type of s-p electron magnetism has attracted much attention over the years, not least because such magnetic order is predicted to be stable at high temperatures. It has been demonstrated that atomic-scale structural defects of graphene can host unpaired spins, but it remains unclear under what conditions long-range magnetic order can emerge from such defect-bound magnetic moments. Here we propose that, in contrast to random defect distributions, atomic-scale engineering of graphene edges with specific crystallographic orientation--comprising edge atoms from only one sub-lattice of the bipartite graphene lattice--can give rise to a robust magnetic order. We use a nanofabrication technique based on scanning tunnelling microscopy to define graphene nanoribbons with nanometre precision and well-defined crystallographic edge orientations. Although so-called 'armchair' ribbons display quantum confinement gaps, ribbons with the 'zigzag' edge structure that are narrower than 7 nanometres exhibit an electronic bandgap of about 0.2-0.3 electronvolts, which can be identified as a signature of interaction-induced spin ordering along their edges. Moreover, upon increasing the ribbon width, a semiconductor-to-metal transition is revealed, indicating the switching of the magnetic coupling between opposite ribbon edges from the antiferromagnetic to the ferromagnetic configuration. We found that the magnetic order on graphene edges of controlled zigzag orientation can be stable even at room temperature, raising hopes of graphene-based spintronic devices operating under ambient conditions.

  10. Unveiling the pentagonal nature of perfectly aligned single-and double-strand Si nano-ribbons on Ag(110)

    Science.gov (United States)

    Cerdá, Jorge I.; Sławińska, Jagoda; Le Lay, Guy; Marele, Antonela C.; Gómez-Rodríguez, José M.; Dávila, María E.

    2016-01-01

    Carbon and silicon pentagonal low-dimensional structures attract a great interest as they may lead to new exotic phenomena such as topologically protected phases or increased spin–orbit effects. However, no pure pentagonal phase has yet been realized for any of them. Here we unveil through extensive density functional theory calculations and scanning tunnelling microscope simulations, confronted to key experimental facts, the hidden pentagonal nature of single- and double-strand chiral Si nano-ribbons perfectly aligned on Ag(110) surfaces whose structure has remained elusive for over a decade. Our study reveals an unprecedented one-dimensional Si atomic arrangement solely comprising almost perfect alternating pentagons residing in the missing row troughs of the reconstructed surface. We additionally characterize the precursor structure of the nano-ribbons, which consists of a Si cluster (nano-dot) occupying a silver di-vacancy in a quasi-hexagonal configuration. The system thus materializes a paradigmatic shift from a silicene-like packing to a pentagonal one. PMID:27708263

  11. Nitrogen-Doping Induced Self-Assembly of Graphene Nanoribbon-Based Two-Dimensional and Three-Dimensional Metamaterials.

    Science.gov (United States)

    Vo, Timothy H; Perera, U Gayani E; Shekhirev, Mikhail; Mehdi Pour, Mohammad; Kunkel, Donna A; Lu, Haidong; Gruverman, Alexei; Sutter, Eli; Cotlet, Mircea; Nykypanchuk, Dmytro; Zahl, Percy; Enders, Axel; Sinitskii, Alexander; Sutter, Peter

    2015-09-09

    Narrow graphene nanoribbons (GNRs) constructed by atomically precise bottom-up synthesis from molecular precursors have attracted significant interest as promising materials for nanoelectronics. But there has been little awareness of the potential of GNRs to serve as nanoscale building blocks of novel materials. Here we show that the substitutional doping with nitrogen atoms can trigger the hierarchical self-assembly of GNRs into ordered metamaterials. We use GNRs doped with eight N atoms per unit cell and their undoped analogues, synthesized using both surface-assisted and solution approaches, to study this self-assembly on a support and in an unrestricted three-dimensional (3D) solution environment. On a surface, N-doping mediates the formation of hydrogen-bonded GNR sheets. In solution, sheets of side-by-side coordinated GNRs can in turn assemble via van der Waals and π-stacking interactions into 3D stacks, a process that ultimately produces macroscopic crystalline structures. The optoelectronic properties of these semiconducting GNR crystals are determined entirely by those of the individual nanoscale constituents, which are tunable by varying their width, edge orientation, termination, and so forth. The atomically precise bottom-up synthesis of bulk quantities of basic nanoribbon units and their subsequent self-assembly into crystalline structures suggests that the rapidly developing toolset of organic and polymer chemistry can be harnessed to realize families of novel carbon-based materials with engineered properties.

  12. Optical properties and magnetic flux-induced electronic band tuning of a T-graphene sheet and nanoribbon.

    Science.gov (United States)

    Bandyopadhyay, Arka; Nandy, Atanu; Chakrabarti, Arunava; Jana, Debnarayan

    2017-08-16

    Tetragonal graphene (T-graphene) is a theoretically proposed dynamically stable, metallic allotrope of graphene. In this theoretical investigation, a tight binding (TB) model is used to unravel the metal to semiconductor transition of this 2D sheet under the influence of an external magnetic flux. In addition, the environment under which the sheet exposes an appreciable direct band gap of 1.41 ± 0.01 eV is examined. Similarly, the electronic band structure of the narrowest armchair T-graphene nanoribbon (NATGNR) also gets modified with different combinations of magnetic fluxes through the elementary rings. The band tuning parameters are critically identified for both systems. It is observed that the induced band gaps vary remarkably with the tuning parameters. We have also introduced an exact analytical approach to address the band structure of the NATGNR in the absence of any magnetic flux. Finally, the optical properties of the sheet and NATGNR are also critically analysed for both parallel and perpendicular polarizations with the help of density functional theory (DFT). Our study predicts that this material and its nanoribbons can be used in optoelectronic devices.

  13. Anisotropic in-plane thermal conductivity of black phosphorus nanoribbons at temperatures higher than 100 K.

    Science.gov (United States)

    Lee, Sangwook; Yang, Fan; Suh, Joonki; Yang, Sijie; Lee, Yeonbae; Li, Guo; Sung Choe, Hwan; Suslu, Aslihan; Chen, Yabin; Ko, Changhyun; Park, Joonsuk; Liu, Kai; Li, Jingbo; Hippalgaonkar, Kedar; Urban, Jeffrey J; Tongay, Sefaattin; Wu, Junqiao

    2015-10-16

    Black phosphorus attracts enormous attention as a promising layered material for electronic, optoelectronic and thermoelectric applications. Here we report large anisotropy in in-plane thermal conductivity of single-crystal black phosphorus nanoribbons along the zigzag and armchair lattice directions at variable temperatures. Thermal conductivity measurements were carried out under the condition of steady-state longitudinal heat flow using suspended-pad micro-devices. We discovered increasing thermal conductivity anisotropy, up to a factor of two, with temperatures above 100 K. A size effect in thermal conductivity was also observed in which thinner nanoribbons show lower thermal conductivity. Analysed with the relaxation time approximation model using phonon dispersions obtained based on density function perturbation theory, the high anisotropy is attributed mainly to direction-dependent phonon dispersion and partially to phonon-phonon scattering. Our results revealing the intrinsic, orientation-dependent thermal conductivity of black phosphorus are useful for designing devices, as well as understanding fundamental physical properties of layered materials.

  14. Theoretical study of the role of metallic contacts in probing transport features of pure and defected graphene nanoribbons.

    Science.gov (United States)

    La Magna, Antonino; Deretzis, Ioannis

    2011-03-18

    Understanding the roles of disorder and metal/graphene interface on the electronic and transport properties of graphene-based systems is crucial for a consistent analysis of the data deriving from experimental measurements. The present work is devoted to the detailed study of graphene nanoribbon systems by means of self-consistent quantum transport calculations. The computational formalism is based on a coupled Schrödinger/Poisson approach that respects both chemistry and electrostatics, applied to pure/defected graphene nanoribbons (ideally or end-contacted by various fcc metals). We theoretically characterize the formation of metal-graphene junctions as well as the effects of backscattering due to the presence of vacancies and impurities. Our results evidence that disorder can infer significant alterations on the conduction process, giving rise to mobility gaps in the conductance distribution. Moreover, we show the importance of metal-graphene coupling that gives rise to doping-related phenomena and a degradation of conductance quantization characteristics.

  15. Achieving Superior Two-Way Actuation by the Stress-Coupling of Nanoribbons and Nanocrystalline Shape Memory Alloy

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Shijie; Liu, Yinong; Ren, Yang; Jiang, Daqiang; Yang, Feng; Cong, Daoyong; Wang, Yandong; Cui, Lishan

    2016-06-08

    Inspired by the driving principle of traditional bias-type two-way actuators, we developed a novel two-way actuation nanocomposite wire in which a massive number of Nb nanoribbons with ultra-large elastic strains are loaded inside a shape memory alloy (SMA) matrix to form a continuous array of nano bias actuation pairs for two-way actuation. The composite exhibits a two-way actuation strain of 3.2% during a thermal cycle and an actuation stress of 934 MPa upon heating, which is about twice higher than that (~500 MPa) found in reported two-way SMAs. Upon cooling, the composite shows an actuation stress of 134 MPa and a mechanical work output of 1.08*106 J/ m3, which are about three and five times higher than that of reported two-way SMAs, respectively. It is revealed that the massive number of Nb nanoribbons in compressive state provides the high actuation stress and high work output upon cooling and the SMA matrix with high yield strength offers the high actuation stress upon heating. Compared to traditional bias-type two-way actuators, the two-way actuation composite with small volume and simple construct is in favour of the miniaturization and simplification of actuators.

  16. Silicene Nano-Ribbons: Strong Resistance Towards Oxidation due to sp2 Hybridization of the Si Valence Orbitals

    Science.gov (United States)

    Le Lay, Guy; de Padova, Paola; Quaresima, Claudio; Olivieri, Bruno; Perfetti, Paolo

    2011-03-01

    We have synthesized for the first time silicene, that is, a new silicon allotrope analogous to graphene recently theoretically predicted, in the form of a massively parallel array of quantized zigzag nano-ribbons with a common ``magic'' width of 1.6 nm. They display characteristic linear band dispersions similar to the Dirac cones of graphene, in correspondence with their hexagonal arrangement seen in STM imaging. Here we show, through the angle-dependence of REEL spectra taken at the Si L2 , 3 edge, the typical signatures of 2p --> π * and 2p --> σ * transitions associated with sp 2 hybridization of the Si valence orbitals. We further show through high-resolution synchrotron radiation Si 2p core-level spectroscopy measurements that the afore mentioned silicene grating is very resistant toward oxidation. Typically, the oxygen uptake starts at about 104 higher doses than on the clean Si(111)7x7 surface. Indeed, this striking behavior is directly related to the sp 2 bonding, an additional confirmation of the silicene (i.e., graphene-like) nature of the nano-ribbons.

  17. A 50/50 electronic beam splitter in graphene nanoribbons as a building block for electron optics

    Science.gov (United States)

    Lima, Leandro R. F.; Hernández, Alexis R.; Pinheiro, Felipe A.; Lewenkopf, Caio

    2016-12-01

    Based on the investigation of the multi-terminal conductance of a system composed of two graphene nanoribbons, in which one is on top of the other and rotated by {{60}\\circ} , we propose a setup for a 50/50 electronic beam splitter that neither requires large magnetic fields nor ultra low temperatures. Our findings are based on an atomistic tight-binding description of the system and on the Green function method to compute the Landauer conductance. We demonstrate that this system acts as a perfect 50/50 electronic beam splitter, in which its operation can be switched on and off by varying the doping (Fermi energy). We show that this device is robust against thermal fluctuations and long range disorder, as zigzag valley chiral states of the nanoribbons are protected against backscattering. We suggest that the proposed device can be applied as the fundamental element of the Hong-Ou-Mandel interferometer, as well as a building block of many devices in electron optics.

  18. Top-down Fabrication and Enhanced Active Area Electronic Characteristics of Amorphous Oxide Nanoribbons for Flexible Electronics.

    Science.gov (United States)

    Jang, Hyun-June; Joong Lee, Ki; Jo, Kwang-Won; Katz, Howard E; Cho, Won-Ju; Shin, Yong-Beom

    2017-07-18

    Inorganic amorphous oxide semiconductor (AOS) materials such as amorphous InGaZnO (a-IGZO) possess mechanical flexibility and outstanding electrical properties, and have generated great interest for use in flexible and transparent electronic devices. In the past, however, AOS devices required higher activation energies, and hence higher processing temperatures, than organic ones to neutralize defects. It is well known that one-dimensional nanowires tend to have better carrier mobility and mechanical strength along with fewer defects than the corresponding two-dimensional films, but until now it has been difficult, costly, and impractical to fabricate such nanowires in proper alignments by either "bottom-up" growth techniques or by "top-down" e-beam lithography. Here we show a top-down, cost-effective, and scalable approach for the fabrication of parallel, laterally oriented AOS nanoribbons based on lift-off and nano-imprinting. High mobility (132 cm(2)/Vs), electrical stability, and transparency are obtained in a-IGZO nanoribbons, compared to the planar films of the same a-IGZO semiconductor.

  19. Performance analysis of boron nitride embedded armchair graphene nanoribbon metal-oxide-semiconductor field effect transistor with Stone Wales defects

    Science.gov (United States)

    Chanana, Anuja; Sengupta, Amretashis; Mahapatra, Santanu

    2014-01-01

    We study the performance of a hybrid Graphene-Boron Nitride armchair nanoribbon (a-GNR-BN) n-MOSFET at its ballistic transport limit. We consider three geometric configurations 3p, 3p + 1, and 3p + 2 of a-GNR-BN with BN atoms embedded on either side (2, 4, and 6 BN) on the GNR. Material properties like band gap, effective mass, and density of states of these H-passivated structures are evaluated using the Density Functional Theory. Using these material parameters, self-consistent Poisson-Schrodinger simulations are carried out under the Non Equilibrium Green's Function formalism to calculate the ballistic n-MOSFET device characteristics. For a hybrid nanoribbon of width ˜5 nm, the simulated ON current is found to be in the range of 265 μA-280 μA with an ON/OFF ratio 7.1 × 106-7.4 × 106 for a VDD = 0.68 V corresponding to 10 nm technology node. We further study the impact of randomly distributed Stone Wales (SW) defects in these hybrid structures and only 2.5% degradation of ON current is observed for SW defect density of 3.18%.

  20. Performance analysis of boron nitride embedded armchair graphene nanoribbon metal–oxide–semiconductor field effect transistor with Stone Wales defects

    Energy Technology Data Exchange (ETDEWEB)

    Chanana, Anuja; Sengupta, Amretashis; Mahapatra, Santanu [Nano Scale Device Research Laboratory, Department of Electronic Systems Engineering, Indian Institute of Science, Bangalore 560 012 (India)

    2014-01-21

    We study the performance of a hybrid Graphene-Boron Nitride armchair nanoribbon (a-GNR-BN) n-MOSFET at its ballistic transport limit. We consider three geometric configurations 3p, 3p + 1, and 3p + 2 of a-GNR-BN with BN atoms embedded on either side (2, 4, and 6 BN) on the GNR. Material properties like band gap, effective mass, and density of states of these H-passivated structures are evaluated using the Density Functional Theory. Using these material parameters, self-consistent Poisson-Schrodinger simulations are carried out under the Non Equilibrium Green's Function formalism to calculate the ballistic n-MOSFET device characteristics. For a hybrid nanoribbon of width ∼5 nm, the simulated ON current is found to be in the range of 265 μA–280 μA with an ON/OFF ratio 7.1 × 10{sup 6}–7.4 × 10{sup 6} for a V{sub DD} = 0.68 V corresponding to 10 nm technology node. We further study the impact of randomly distributed Stone Wales (SW) defects in these hybrid structures and only 2.5% degradation of ON current is observed for SW defect density of 3.18%.

  1. Analyses of Short Channel Effects of Single-Gate and Double-Gate Graphene Nanoribbon Field Effect Transistors

    Directory of Open Access Journals (Sweden)

    Hojjatollah Sarvari

    2016-01-01

    Full Text Available Short channel effects of single-gate and double-gate graphene nanoribbon field effect transistors (GNRFETs are studied based on the atomistic pz orbital model for the Hamiltonian of graphene nanoribbon using the nonequilibrium Green’s function formalism. A tight-binding Hamiltonian with an atomistic pz orbital basis set is used to describe the atomistic details in the channel of the GNRFETs. We have investigated the vital short channel effect parameters such as Ion and Ioff, the threshold voltage, the subthreshold swing, and the drain induced barrier lowering versus the channel length and oxide thickness of the GNRFETs in detail. The gate capacitance and the transconductance of both devices are also computed in order to calculate the intrinsic cut-off frequency and switching delay of GNRFETs. Furthermore, the effects of doping of the channel on the threshold voltage and the frequency response of the double-gate GNRFET are discussed. We have shown that the single-gate GNRFET suffers more from short channel effects if compared with those of the double-gate structure; however, both devices have nearly the same cut-off frequency in the range of terahertz. This work provides a collection of data comparing different features of short channel effects of the single gate with those of the double gate GNRFETs. The results give a very good insight into the devices and are very useful for their digital applications.

  2. Theoretical study of the role of metallic contacts in probing transport features of pure and defected graphene nanoribbons

    Directory of Open Access Journals (Sweden)

    La Magna Antonino

    2011-01-01

    Full Text Available Abstract Understanding the roles of disorder and metal/graphene interface on the electronic and transport properties of graphene-based systems is crucial for a consistent analysis of the data deriving from experimental measurements. The present work is devoted to the detailed study of graphene nanoribbon systems by means of self-consistent quantum transport calculations. The computational formalism is based on a coupled Schrödinger/Poisson approach that respects both chemistry and electrostatics, applied to pure/defected graphene nanoribbons (ideally or end-contacted by various fcc metals. We theoretically characterize the formation of metal-graphene junctions as well as the effects of backscattering due to the presence of vacancies and impurities. Our results evidence that disorder can infer significant alterations on the conduction process, giving rise to mobility gaps in the conductance distribution. Moreover, we show the importance of metal-graphene coupling that gives rise to doping-related phenomena and a degradation of conductance quantization characteristics.

  3. Spin-polarized transport in hydrogen-passivated graphene and silicene nanoribbons with magnetic transition-metal substituents.

    Science.gov (United States)

    García-Fuente, A; Gallego, L J; Vega, A

    2016-08-10

    We present a systematic theoretical study of the electronic transport in hydrogen passivated zigzag graphene and silicene nanoribbons with between zero and four neighboring H atoms on one edge replaced by magnetic transition metals (Fe, Co, and Ni). The calculations were performed using equilibrium transport and density-functional theory with the generalized gradient approximation to exchange and correlation. We considered the magnetic moments of the two edges aligned both ferromagnetically (Ferro-F form) and antiferromagnetically (Ferro-A form). The Ferro-A graphene-based ribbons were all semiconducting and would support moderate spin-polarized currents of either sign by applying positive or negative gate voltages. The Ferro-F graphene-based ribbons were all metallic; the most interesting for possible spintronic applications being that with a single Ni atom, in which strong spin-filtering at low bias resulted from a deep trough in the transmission of one spin component around the Fermi level. By contrast, in the Si-based analog this trough was split, partially eliminating the polarization of the current. This splitting was found to be related to the buckled structure of the Si-based nanoribbon, which has its origin in its preference for sp(3)-like hybridization.

  4. Armchair-edged nanoribbon as a bottleneck to electronic total transmission through a topologically nontrivial graphene nanojunction.

    Science.gov (United States)

    Jiang, Liwei; Liu, Zhe; Zhao, Xudong; Zheng, Yisong

    2016-03-01

    It is currently a promising approach to experimentally realize the topological insulator phase transition of graphene by introducing the extrinsic spin-orbit coupling (SOC). Then, electronic total transmission through various topological nontrivial graphene nanojunctions (GNJs) is obtainable, if the electronic transport is supported by the helical edge states. Though the bulk graphene is a gapless semiconductor, the inter-valley scattering could introduce a topological trivial gap in semiconducting armchair-edged graphene nanoribbon (GNR). The SOC should be strong enough to reopen a topological nontrivial gap before close such a trivial gap. Therefore, our theoretical study indicates that a semiconducting armchair-edged graphene nanoribbon (GNR) can not develop the helical edge states when the SOC strength is lower than a threshold, though the bulk phase is topological nontrivial. This implies a competition between the SOC and the inter-valley scattering. However, for a metallic armchair-edged GNR, a small SOC can always open a nontrivial gap. Nevertheless, the helical edge state is much less localized than that in a zigzag-edged GNR of the same width. As a result, and by numerically calculating the electronic transmission spectrum of step- and L-shaped GNJs, we conclude that when an armchair-edged GNR is a part of a GNJ, it is the weak point to realize the electronic total transmission even though the bulk phase of graphene is topologically insulating.

  5. Unveiling the pentagonal nature of perfectly aligned single-and double-strand Si nano-ribbons on Ag(110)

    Science.gov (United States)

    Cerdá, Jorge I.; Sławińska, Jagoda; Le Lay, Guy; Marele, Antonela C.; Gómez-Rodríguez, José M.; Dávila, María E.

    2016-10-01

    Carbon and silicon pentagonal low-dimensional structures attract a great interest as they may lead to new exotic phenomena such as topologically protected phases or increased spin-orbit effects. However, no pure pentagonal phase has yet been realized for any of them. Here we unveil through extensive density functional theory calculations and scanning tunnelling microscope simulations, confronted to key experimental facts, the hidden pentagonal nature of single- and double-strand chiral Si nano-ribbons perfectly aligned on Ag(110) surfaces whose structure has remained elusive for over a decade. Our study reveals an unprecedented one-dimensional Si atomic arrangement solely comprising almost perfect alternating pentagons residing in the missing row troughs of the reconstructed surface. We additionally characterize the precursor structure of the nano-ribbons, which consists of a Si cluster (nano-dot) occupying a silver di-vacancy in a quasi-hexagonal configuration. The system thus materializes a paradigmatic shift from a silicene-like packing to a pentagonal one.

  6. A novel graphene nanoribbon FET with an extra peak electric field (EFP-GNRFET) for enhancing the electrical performances

    Energy Technology Data Exchange (ETDEWEB)

    Akbari Eshkalak, Maedeh [Young Researchers and Elite Club, Lahijan Branch, Islamic Azad University, Lahijan (Iran, Islamic Republic of); Anvarifard, Mohammad K., E-mail: m.anvarifard@guilan.ac.ir [Department of Engineering Sciences, Faculty of Technology and Engineering, East of Guilan, University of Guilan, Rudsar-Vajargah (Iran, Islamic Republic of)

    2017-04-25

    This work has provided an efficient technique to improve the electrical performance for the Graphene Nanoribbon Field Effect Transistors (GNRFETs) successfully. The physical gate length is divided into two gates named as the original gate and the other one as the virtual gate. We have applied a voltage source between these gates to control the channel of the GNRFETs. This technique has created an extra peak electric field in the middle of the channel resulting in the redistribution of surface potential profile. The proposed structure named as EFP-GNRFET has been compared with a simple GNRFET and has shown many improvements in terms of the critical parameters such as short channel effects, leakage current, subthreshold swing, ON-state to OFF-state current ratio, transconductance, output conductance and voltage gain. The structures under the study in this paper benefits from the Non-Equilibrium Green Function (NEGF) approach for solving Schrödinger equation coupled with the two-dimensional (2D) Poisson equation in a self-consistent manner. - Highlights: • Proposal of a novel graphene nanoribbon FET. • Creation of an extra peak in electric field. • Modification of the channel potential with the help of virtual gate. • Considerable improvement on electrical performances.

  7. Achieving Superior Two-Way Actuation by the Stress-Coupling of Nanoribbons and Nanocrystalline Shape Memory Alloy.

    Science.gov (United States)

    Hao, Shijie; Liu, Yinong; Ren, Yang; Jiang, Daqiang; Yang, Feng; Cong, Daoyong; Wang, Yandong; Cui, Lishan

    2016-06-29

    Inspired by the driving principle of traditional bias-type two-way actuators, we developed a novel two-way actuation nanocomposite wire in which a massive number of Nb nanoribbons with ultralarge elastic strains are loaded inside a shape memory alloy (SMA) matrix to form a continuous array of nanobias actuation pairs for two-way actuation. The composite exhibits a two-way actuation strain of 3.2% during a thermal cycle and an actuation stress of 934 MPa upon heating, which is about twice as high as that (∼500 MPa) found in reported two-way SMAs. Upon cooling, the composite shows an actuation stress of 134 MPa and a mechanical work output of 1.08 × 10(6) J/m(3), which are about three and five times higher than those of reported two-way SMAs, respectively. It was revealed that the massive number of Nb nanoribbons in the compressive state provides the high actuation stress and high work output upon cooling, and the SMA matrix with high yield strength offers the high actuation stress upon heating. Compared to traditional bias-type two-way actuators, the two-way actuation composite with a small volume and simple construct works well with the miniaturization and simplification of actuators.

  8. Anisotropic in-plane thermal conductivity of black phosphorus nanoribbons at temperatures higher than 100 K

    Science.gov (United States)

    Lee, Sangwook; Yang, Fan; Suh, Joonki; Yang, Sijie; Lee, Yeonbae; Li, Guo; Sung Choe, Hwan; Suslu, Aslihan; Chen, Yabin; Ko, Changhyun; Park, Joonsuk; Liu, Kai; Li, Jingbo; Hippalgaonkar, Kedar; Urban, Jeffrey J.; Tongay, Sefaattin; Wu, Junqiao

    2015-01-01

    Black phosphorus attracts enormous attention as a promising layered material for electronic, optoelectronic and thermoelectric applications. Here we report large anisotropy in in-plane thermal conductivity of single-crystal black phosphorus nanoribbons along the zigzag and armchair lattice directions at variable temperatures. Thermal conductivity measurements were carried out under the condition of steady-state longitudinal heat flow using suspended-pad micro-devices. We discovered increasing thermal conductivity anisotropy, up to a factor of two, with temperatures above 100 K. A size effect in thermal conductivity was also observed in which thinner nanoribbons show lower thermal conductivity. Analysed with the relaxation time approximation model using phonon dispersions obtained based on density function perturbation theory, the high anisotropy is attributed mainly to direction-dependent phonon dispersion and partially to phonon–phonon scattering. Our results revealing the intrinsic, orientation-dependent thermal conductivity of black phosphorus are useful for designing devices, as well as understanding fundamental physical properties of layered materials. PMID:26472285

  9. Fabrication of One-Dimensional Zigzag [6,6]-PhenylC61-Butyric Acid Methyl Ester Nanoribbons from Two-Dimensional Nanosheets (Open Access: Author’s Final)

    Science.gov (United States)

    2015-09-18

    material in organic solar cells . KEYWORDS: PCBM . nanosheets . nanoribbons . nanorods . liquidliquid interfacial precipitation . electron microscopy...and the physical proper- ties of the PCBM nanoribbons, it is plausible that they shouldbe ideal as acceptormaterial in organic solar cells . MATERIALS...Hummelen, J. C.; Scherf, U.; Klapwijk, T. M. Solution-Processed Ambipolar Organic Field-Effect Transistors and Inverters . Nat. Mater. 2003, 2, 678–682. 5

  10. Theoretical Investigation of the Interfaces and Mechanisms of Induced Spin Polarization of 1D Narrow Zigzag Graphene- and h-BN Nanoribbons on a SrO-Terminated LSMO(001) Surface.

    Science.gov (United States)

    Avramov, Paul; Kuzubov, Alexander A; Kuklin, Artem V; Lee, Hyosun; Kovaleva, Evgenia A; Sakai, Seiji; Entani, Shiro; Naramoto, Hiroshi; Sorokin, Pavel B

    2017-01-26

    The structure of the interfaces and the mechanisms of induced spin polarization of 1D infinite and finite narrow graphene- and h-BN zigzag nanoribbons placed on a SrO-terminated La1-xSrxMnO3 (LSMO) (001) surface were studied using density functional theory (DFT) electronic structure calculations. It was found that the π-conjugated nanofragments are bonded to the LSMO(001) surface by weak disperse interactions. The types of coordination of the fragments, the strength of bonding, and the rate of spin polarization depend upon the nature of the fragments. Infinite and finite graphene narrow zigzag nanoribbons are characterized by the lift of the spin degeneracy and strong spin polarization caused by interface-induced structural asymmetry and oxygen-mediated indirect exchange interactions with Mn ions of LSMO support. Spin polarization changes the semiconducting nature of infinite graphene nanoribbons to half-metallic state with visible spin-up density of states at the Fermi level. The h-BN nanoribbon binding energy is weaker than graphene nanoribbon ones with noticeably shorter interlayer distance. The asymmetry effect and indirect exchange interactions cause spin polarization of h-BN nanoribbon as well with formation of embedded states inside the band gap. The results show a possibility to use one-atom thick nanofragments to design LSMO-based heterostructures for spintronic nanodevices with h-BN as an inert spacer to develop different potential barriers.

  11. Engineering the electronic structure of zigzag graphene nanoribbons with periodic line defect

    Energy Technology Data Exchange (ETDEWEB)

    Chakravarty, Chandrima; Mandal, Bikash; Sarkar, Pranab, E-mail: pranab.sarkar@visva-bharati.ac.in

    2017-01-30

    By using first principle calculations we have studied the magnetic, electronic and transport properties of zigzag-graphene nanoribbon (zGNR) with a topological line defect (LD) composed of pentagons and heptagons (5-7). We show that one can engineer the magnetic and electronic properties of the edge passivated zGNR with 5-7 LD through the variation of either the width of the zGNR or the position of the LD. Thus, one can have ferromagnetic behaviour in zGNR by introducing 5-7 LD close to one edge of the ribbon. One can tune the zGNR with 5-7 LD from semi-metallic to semi-metallic semiconductor either by increasing the width of the ribbon or by changing the position of the LD. We have also studied the effect of the doping on the degeneracy of the spin states of 4-4-LD-zGNR. The calculation of transport properties of N-doped 4-4-LD-zGNR reveals that it has high spin filtering efficiencies. The tuning of the spin polarization through the formation of 5-7 LD in zGNR holds a promise for its application in spintronic devices. - Highlights: • The magnetic and electronic properties of zGNR with 5-7 LD can be engineered through the variation of the width of zGNR and the position of LD. • Ferromagnetic behaviour in zGNR can be found by introducing 5-7 LD close to one edge of the ribbon. • Semi-metallic to semi-metallic semiconductor transition occurs by increasing the width of the ribbon or by changing the position of the LD. • There is significant effect of the doping on the degeneracy of the spin states of 4-4-LD-zGNR. • The transport properties calculation of N-doped 4-4-LD-zGNR reveals that it has high spin filtering efficiencies.

  12. Contact metal-dependent electrical transport in carbon nanotubes and fabrication of graphene nanoribbons

    Science.gov (United States)

    Perello, David

    increasing relationship of I sat and sigmasd with metal-contact work function that is explained by a theoretical model derived from thermionic field emission. Statistical analysis and spread of the data suggest that the conduction variability in same-CNT devices results from differences in local surface potential of the metal contact. Based on the theoretical model and methodology, an improved CNT-based gas sensing device layout is suggested; a method to experimentally determine gas-induced work function changes in metals is also proposed. Third, a performance analysis on CNT Schottky diodes using source-drain current anisotropy is explored. An analytical model is derived based on thermionic field emission and used to correlate experimental data from Pd-Hf, Ti-Hf, Cr-Hf, Ti-Cr, and Pd-Au mixed metal devices fabricated on one single 6 mm-long CNT. Results suggest that the difference in work functions of the two contact-metals, and not a dominant Schottky contact, determines diode performance. Results are further applied and demonstrated in a reversible polarity diode. Next, we develop experimental processes to grow high quality monolayer graphene on Cu foil. Cu foil is pre-annealed and hand polished to increase Cu crystalline domain size and reduce surface roughness. This is done to reduce nucleation sites for graphene during CVD growth. After growth on Cu foil, the graphene is transferred to SiO2 using a floating PMMA method described in section 3.2.2. Finally, the quality of the graphene is analyzed via Raman spectroscopy, optical imagery, and sheet resistance measurements. After demonstrating the quality of the graphene film, we investigate the effect of UV irradiation of graphene, CNT, and graphene/CNT hybrids in an oxygen environment. Samples were irradiated by 254/185 nm UV light in an oxygen environment for up to two hours. Results suggest a unique method to generate graphene nanoribbons using aligned carbon nanotubes (CNT) as a graphene etch mask. Ambient and

  13. Sacrificial templating synthesis of hematite nanochains from [Fe18S25](TETAH)14 nanoribbons: their magnetic, electrochemical, and photocatalytic properties.

    Science.gov (United States)

    Zhou, Yu-Xue; Yao, Hong-Bin; Yao, Wei-Tang; Zhu, Zhu; Yu, Shu-Hong

    2012-04-16

    Unique hematite nanochains self-assembled from α-Fe(2)O(3) nanoparticles can be synthesized by thermal decomposition of [Fe(18)S(25)](TETAH)(14) as an appropriate nanoribbon precursor (TETAH = protonated triethylenetetramine). Magnetic studies have revealed greatly enhanced coercivity of the 1D hematite nanochains compared with that of dispersed α-Fe(2)O(3) nanoparticles at low temperature, which may be attributed to their increased shape anisotropy and magnetocrystalline anisotropy. The photocatalytic properties of the hematite nanochains have been studied, as well as their electrochemical properties as cathode materials of lithium-ion batteries. The results have shown that both properties are dependent on the BET specific surface areas of the 1D hematite nanochains.

  14. Lithium Salt of NH2-substituted Graphene Nanoribbon with Twofold Donor-acceptor Framework: Large Nonlinear Optical Property

    Institute of Scientific and Technical Information of China (English)

    ZHOU Zhong-jun; LI Zhi-ru; HUANG Xu-ri; SUN Chia-chung

    2011-01-01

    Based on graphene, a new class of second-order nonlinear optical(NLO) material, the lithium salt of NH2-substituted graphene nanoribbon with the twofold donor(D)/acceptor(A) mode, was reported. Eight stable 2Li-2NH2-GNR lithium salts, especially cis lithium salts, display considerably large ,β0 values. The combination of NH2-substituting and cis Li-doping makes β0 greatly increased from 0(GNR) to 1.2×105-2.9×105 a.u.(cis-2Li2NH2-GNRs). Our largest β0 value(2.9× l05 a.u.) for cis-2Li-1,3-2NH2-AGNR is comparable to the record value of 1.7× l05 a.u. for a long donor-acceptor polyene.

  15. Ab initio energetics, kinetics, and quantum transport characteristics of graphene nanoribbons as nanosensors for detecting nitrogen dioxide

    Science.gov (United States)

    Paulla, Kirti K.; Hassan, Ahmed J.; Knick, Cory R.; Farajian, Amir A.

    2014-03-01

    Molecules adsorption on graphene nanoribbons (GNRs) can be used to engineer and make use of their properties for applications such as energy storage and sensors. We investigate adsorption characteristics by considering nitrogen dioxide as a sample molecule for assessing nanosensor functionality of GNRs. Using ab initio modeling, energetics of various adsorption possibilities are determined and their rate constants are calculated and compared. Nonbonding and weak sp3 adsorptions at the hydrogen-terminated edges are shown to be more feasible than center adsorptions. This shows increased reactivity compared to graphene. Calculated quantum transport responses upon molecules adsorption indicate possibility of sensing extremely low nitrogen dioxide concentrations. Possible approaches for improving gas nanosensor functionality of GNRs are discussed. Reference: RSC Advances, 2013, DOI: 10.1039/c3ra46372a. This research was supported by the National Science Foundation Grant ECCS-0925939.

  16. Graphene nanoribbons wrapping double nanoshells of SnO2@TiO2 for high lithium storage

    Science.gov (United States)

    Li, Xinlu; Zhang, Xinlin; Wang, Ronghua; Su, Zelong; Sha, Junwei; Liu, Pengfu

    2016-12-01

    A three-dimensional (3D) interconnected graphene nanoribbons (GNRs) framework wrapping double nanoshells of SnO2@TiO2 was synthesized by a simple but effective method. The nanoshell of TiO2 anchored on the surface of SnO2 nanoshell with hollow core to restrict large volume expansion, then GNRs wrapped and interlaced double nanoshells of SnO2@TiO2 to construct a continuous 3D conducting network. The double protection strategy of active electrode materials can make full use of the function of the three components. The enhanced electrochemical performance can be attributed to the structural stability, excellent electronic conductivity and high electrochemical reaction activity.

  17. First-principles study on the magnetic and electronic properties of Al or P doped armchair silicene nanoribbons

    Science.gov (United States)

    Zhang, Xiaojiao; Zhang, Dan; Xie, Fang; Zheng, Xialian; Wang, Haiyan; Long, Mengqiu

    2017-07-01

    Using the first-principles calculations, we investigate the geometric structure, electronic and magnetic properties of armchair silicene nanoribbons (ASiNRs) doped with aluminum (Al) or phosphorus (P) atoms. Total energy analysis shows that both Al and P atoms are preferentially doping at the edge site of ASiNRs. And the magnetism can be found in both Al and P doped systems. For Al doped ASiNRs, we find that the magnetic moment and band gap are dependent on the ribbon width. While for P doped ASiNRs, the magnetic moment always keeps 1μB and is independent of the ribbon width, meanwhile the band gap oscillates with a period of three with the ribbon width increasing. Our results present a new avenue for band engineering of SiNRs and benefit for the designing of silicone-based nano-spin-devices in nanoelectronics.

  18. Epitaxial growth of unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures on 4H Au nanoribbons

    KAUST Repository

    Fan, Zhanxi

    2016-09-12

    Metal nanomaterials normally adopt the same crystal structure as their bulk counterparts. Herein, for the first time, the unusual 4H hexagonal Ir, Rh, Os, Ru and Cu nanostructures have been synthesized on 4H Au nanoribbons (NRBs) via solution-phase epitaxial growth under ambient conditions. Interestingly, the 4H Au NRBs undergo partial phase transformation from 4H to face-centered cubic (fcc) structures after the metal coating. As a result, a series of polytypic 4H/fcc bimetallic Au@M (M = Ir, Rh, Os, Ru and Cu) core-shell NRBs has been obtained. We believe that the rational crystal structure-controlled synthesis of metal nanomaterials will bring new opportunities for exploring their phase-dependent physicochemical properties and promising applications.

  19. Generating Tunable Magnetism in AlN Nanoribbons Using Anion/Cation Vacancies:a First-Principles Prediction

    Science.gov (United States)

    Chegeni, Mahdieh; Beiranvand, Razieh; Valedbagi, Shahoo

    2017-04-01

    Using first-principles approach, we theoretically study the effect of anion/cation vacancies on structural and electro-magnetic properties of zigzag AlN nanoribbons (ZAlNNRs). Calculations were performed using a full spin-polarized method within the density functional theory (DFT). Our findings shed light on how the edge states combined with vacancy engineering can affect electro-magnetic properties of ZAlNNRs. We found that depending on the nature and number of vacancies, ZAlNNRs can design as half-metal or semiconductor. Our results reveal a significant amount of spin magnetic moment for ZAlNNR with Al vacancies (VAl). These results may open new applications of AlN nano-materials in spintronics.

  20. Electronic and Optical Properties of Few Layer Black Phosphorus and Black Phosphorus Nanoribbons from First Principles Calculations

    Science.gov (United States)

    Tran, Vy

    . We use a symmetry analysis of the wavefunctions to determine the optical selection rules present in black phosphorus and use the rules to explain the observed anisotropic absorption spectra. Finally, we employ a Wannier function decomposition of the valence bands to illuminate the origin of the anisotropic band dispersion in black phosphorus. In the fourth chapter, we discuss the electronic and optical properties of phosphorene nanoribbons. Using first principles calculations, we find that due to the anisotropic band dispersion present in monolayer phosphorene, nanoribbons cut along the armchair and zigzag directions differ drastically in their properties. We show that the band gap of armchair nanoribbons obeys the usual quantum confinement law of mass particles, while the band gap of zigzag nanoribbons obey a law consistent with Dirac fermions. We show that this is a manifestation of the unique relativistic dispersion in phosphorene. Finally, we discuss the effect of interlayer interactions in few-layer and multilayer black phosphorus. We determine that tunneling through the van der Walls interlayer barrier plays a key role in determining the band gap behavior with respect to the number of layers. We use this to create a model that accurately describes the band gap evolution with the number of layers and the band gap under the application of a gate electric field. Our results show that the strength of the interlayer interaction is in a unique range compared with other layered materials. The interlayer interaction leads to a very large sensitivity of the band gap to a gate electric field. This ultra-high tunability could be very useful for future devices.