WorldWideScience

Sample records for graphene nanoribbons agnrs

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

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

    2017-06-21

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

  2. Atomic and electronic structures of divacancy in graphene nanoribbons

    Zhao Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei Jianwei [School of Mathematics and Physics, Chongqing University of Technology, Chongqing 400054 (China)

    2012-01-15

    First principles calculations have been performed to investigate the electronic structures and transport properties of defective graphene nanoribbons (GNRs) in the presence of pentagon-octagon-pentagon (5-8-5) defects. Electronic band structure results reveal that 5-8-5 defects in the defective zigzag graphene nanoribbon (ZGNR) is unfavorable for electronic transport. However, such defects in the defective armchair graphene nanoribbon (AGNR) give rise to smaller band gap than that in the pristine AGNR, and eventually results in semiconductor to metal-like transition. The distinct roles of 5-8-5 defects in two kinds of edged-GNR are attributed to the different coupling between {pi}{sup Low-Asterisk} and {pi} subbands influenced by the defects. Our findings indicate the possibility of a new route to improve the electronic transport properties of graphene nanoribbons via tailoring the atomic structures by ion irradiation.

  3. Electronic transport for armchair graphene nanoribbons with a potential barrier

    Zhou Benliang; Zhou Benhu; Liao Wenhu; Zhou Guanghui

    2010-01-01

    We theoretically investigate the electronic transport properties through a rectangular potential barrier embedded in armchair-edge graphene nanoribbons (AGNRs) of various widths. Using the Landauer formula and Dirac equation with the continuity conditions for all segments of wave functions at the interfaces between regions inside and outside the barrier, we calculate analytically the conductance and Fano factor for the both metallic and semiconducting AGNRs, respectively. It is shown that, by some numerical examples, at Dirac point the both types of AGNRs own a minimum conductance associated with the maximum Fano factor. The results are discussed and compared with the previous relevant works.

  4. Electronic transport for armchair graphene nanoribbons with a potential barrier

    Ben-Hu, Zhou; Ben-Liang, Zhou; Guang-Hui, Zhou; Zi-Gang, Duan

    2010-01-01

    This paper studies the electronic transport property through a square potential barrier in armchair-edge graphene nanoribbon (AGNR). Using the Dirac equation with the continuity condition for wave functions at the interfaces between regions with and without a barrier, we calculate the mode-dependent transmission probability for both semiconducting and metallic AGNRs, respectively. It is shown that, by some numerical examples, the transmission probability is generally an oscillating function of the height and range of the barrier for both types of AGNRs. The main difference between the two types of systems is that the magnitude of oscillation for the semiconducting AGNR is larger than that for the metallic one. This fact implies that the electronic transport property for AGNRs depends sensitively on their widths and edge details due to the Dirac nature of fermions in the system

  5. Strain effect on graphene nanoribbon carrier statistic in the presence of non-parabolic band structure

    Izuani Che Rosid, N A; Ahmadi, M T; Ismail, Razali

    2016-01-01

    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. (paper)

  6. Electronic transport in armchair graphene nanoribbon under double magnetic barrier modulation

    Wang, Haiyan; Wu, Chao; Xie, Fang; Zhang, Xiaojiao; Zhou, Guanghui

    2018-03-01

    We present a theoretical investigation of the transport properties and the magnetoresistance effect in armchair graphene nanoribbons (AGNRs) under modulation by two magnetic barriers. The energy levels are found to be degenerate for a metallic AGNR but are not degenerate for a semiconducting AGNR. However, the conductance characteristics show quantized plateaus in both the metallic and semiconducting cases. When the magnetization directions of the barriers change from parallel to antiparallel, the conductance plateau in the metallic AGNR shows a degenerate feature due to matching between the transport modes in different regions. As the barrier height increases, the conductance shows more oscillatory behavior with sharp peaks and troughs. Specifically, the initial position of nonzero conductance for the metallic AGNR system moves towards a higher energy regime, which indicates that an energy gap has been opened. In addition, the magnetoresistance ratio also shows plateau structures in certain specific energy regions. These results may be useful in the design of electron devices based on AGNR nanostructures.

  7. Negative differential resistance behavior in phosphorus-doped armchair graphene nanoribbon junctions

    Zhou, Yuhong; Zhang, Daoli; Zhang, Jianbing; Miao, Xiangshui; Ye, Cong

    2014-01-01

    In this present work, we investigate the electronic transport properties of phosphorus-doped armchair graphene nanoribbon (AGNR) junctions by employing nonequilibrium Green's functions in combination with the density-function theory. Two phosphorus (P) atoms are considered to substitute the central carbon atom with the different width of AGNRs. The results indicate that the electronic transport behaviors are strongly dependent on the width of the P-doped graphene nanoribbons. The current-voltage characteristics of the doped AGNR junctions reveal an interesting negative differential resistance (NDR) and exhibit three distinct family (3 n, 3 n + 1, 3 n + 2) behaviors. These results display that P doping is a very good way to achieve NDR of the graphene nanoribbon devices

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

    Diniz, Ginetom S., E-mail: ginetom@gmail.com; Guassi, Marcos R. [Institute of Physics, University of Brasília, 70919-970, Brasília-DF (Brazil); Qu, Fanyao [Institute of Physics, University of Brasília, 70919-970, Brasília-DF (Brazil); Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States)

    2014-09-21

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

  9. Strain dependence of the heat transport properties of graphene nanoribbons

    Emmeline Yeo, Pei Shan; Loh, Kian Ping; Gan, Chee Kwan

    2012-01-01

    Using a combination of accurate density-functional theory and a nonequilibrium Green’s function method, we calculate the ballistic thermal conductance characteristics of tensile-strained armchair (AGNR) and zigzag (ZGNR) edge graphene nanoribbons, with widths between 3 and 50 Å. The optimized lateral lattice constants for AGNRs of different widths display a three-family behavior when the ribbons are grouped according to N modulo 3, where N represents the number of carbon atoms across the width of the ribbon. Two lowest-frequency out-of-plane acoustic modes play a decisive role in increasing the thermal conductance of AGNR-N at low temperatures. At high temperatures the effect of tensile strain is to reduce the thermal conductance of AGNR-N and ZGNR-N. These results could be explained by the changes in force constants in the in-plane and out-of-plane directions with the application of strain. This fundamental atomistic understanding of the heat transport in graphene nanoribbons paves a way to effect changes in their thermal properties via strain at various temperatures. (paper)

  10. Acoustoelectric photoresponse of graphene nanoribbons

    Poole, T.; Nash, G. R.

    2018-04-01

    The acoustoelectric current in graphene nanoribbons, with widths ranging between 350 nm and 600 nm, has been investigated as a function of illumination. For all nanoribbon widths, the acoustoelectric current was observed to decrease on illumination, in contrast to the increase in acoustoelectric current measured in unpatterned graphene sheet devices. This is thought to be due to the higher initial conductivities of the nanoribbons compared to unpatterned devices.

  11. Atomistic simulations of divacancy defects in armchair graphene nanoribbons: Stability, electronic structure, and electron transport properties

    Zhao, Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng, Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Li, Biao; Xu, Dahai [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China)

    2014-01-17

    Using the first principles calculations associated with nonequilibrium Green's function, we have studied the electronic structures and quantum transport properties of defective armchair graphene nanoribbon (AGNR) in the presence of divacancy defects. The triple pentagon–triple heptagon (555–777) defect in the defective AGNR is energetically more favorable than the pentagon–octagon–pentagon (5–8–5) defect. Our calculated results reveal that both 5–8–5-like defect and 555–777-like defect in AGNR could improve the electron transport. It is anticipated that defective AGNRs can exhibit large range variations in transport behaviors, which are strongly dependent on the distributions of the divacancy defect.

  12. Semiconducting states and transport in metallic armchair-edged graphene nanoribbons

    Chen Xiongwen; Wang Haiyan; Wan Haiqing; Zhou Guanghui; Song Kehui

    2011-01-01

    Based on the nonequilibrium Green's function method within the tight-binding approximation scheme, through a scanning tunneling microscopy (STM) model, we study the low-energy electronic states and transport properties of carbon chains in armchair-edged graphene nanoribbons (AGNRs). We show that semiconducting AGNRs possess only semiconducting chains, while metallic ones possess not only metallic chains but also unconventional semiconducting chains located at the 3jth (j≠0) column from the edge (the first chain) due to the vanishing of the metallic component in the electron wavefunction. The two types of states for carbon chains in a metallic AGNR system are demonstrated by different density of states and STM tunneling currents. Moreover, a similar phenomenon is predicted in the edge region of very wide AGNRs. However, there is remarkable difference in the tunneling current between narrow and wide ribbons.

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

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

    2016-01-01

    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 10"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.

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

    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.

  15. Graphene nanoribbons for electronic devices

    Geng, Zhansong; Granzner, Ralf; Kittler, Mario; Schwierz, Frank [FG Festkoerperelektronik, Institut fuer Mikro- und Nanoelektronik und Institut fuer Mikro- und Nanotechnologien MacroNano registered, Technische Universitaet Ilmenau (Germany); Haehnlein, Bernd; Auge, Manuel; Pezoldt, Joerg [FG Nanotechnologie, Institut fuer Mikro- und Nanoelektronik und Institut fuer Mikro- und Nanotechnologien MacroNano registered, Technische Universitaet Ilmenau (Germany); Lebedev, Alexander A. [National Research University of Information Technologies, Mechanics and Optics, St. Petersburg (Russian Federation); Division Solid State Electronics, Ioffe Institute, Sankt-Peterburg (Russian Federation); Davydov, Valery Y. [Division Solid State Electronics, Ioffe Institute, Sankt-Peterburg (Russian Federation)

    2017-11-15

    Graphene nanoribbons show unique properties and have attracted a lot of attention in the recent past. Intensive theoretical and experimental studies on such nanostructures at both the fundamental and application-oriented levels have been performed. The present paper discusses the suitability of graphene nanoribbons devices for nanoelectronics and focuses on three specific device types - graphene nanoribbon MOSFETs, side-gate transistors, and three terminal junctions. It is shown that, on the one hand, experimental devices of each type of the three nanoribbon-based structures have been reported, that promising performance of these devices has been demonstrated and/or predicted, and that in part they possess functionalities not attainable with conventional semiconductor devices. On the other hand, it is emphasized that - in spite of the remarkable progress achieved during the past 10 years - graphene nanoribbon devices still face a lot of problems and that their prospects for future applications remain unclear. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Effect of triangular vacancy defect on thermal conductivity and thermal rectification in graphene nanoribbons

    Yang, Ping, E-mail: yangpingdm@ujs.edu.cn [Laboratory of Advanced Manufacturing and Reliability for MEMS/NEMS/OEDS, Jiangsu University, Zhenjiang 212013 (China); Li, Xialong; Zhao, Yanfan [Laboratory of Advanced Manufacturing and Reliability for MEMS/NEMS/OEDS, Jiangsu University, Zhenjiang 212013 (China); Yang, Haiying [School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Wang, Shuting, E-mail: wangst@mail.hust.edu.cn [School of Mechanical Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)

    2013-11-01

    We investigate the thermal transport properties of armchair graphene nanoribbons (AGNRs) possessing various sizes of triangular vacancy defect within a temperature range of 200–600 K by using classical molecular dynamics simulation. The results show that the thermal conductivities of the graphene nanoribbons decrease with increasing sizes of triangular vacancy defects in both directions across the whole temperature range tested, and the presence of the defect can decrease the thermal conductivity by more than 40% as the number of removed cluster atoms is increased to 25 (1.56% for vacancy concentration) owing to the effect of phonon–defect scattering. In the meantime, we find the thermal conductivity of defective graphene nanoribbons is insensitive to the temperature change at higher vacancy concentrations. Furthermore, the dependence of temperatures and various sizes of triangular vacancy defect for the thermal rectification ration are also detected. This work implies a possible route to achieve thermal rectifier for 2D materials by defect engineering.

  17. Field-Effect Transistors Based on Networks of Highly Aligned, Chemically Synthesized N = 7 Armchair Graphene Nanoribbons.

    Passi, Vikram; Gahoi, Amit; Senkovskiy, Boris V; Haberer, Danny; Fischer, Felix R; Grüneis, Alexander; Lemme, Max C

    2018-03-28

    We report on the experimental demonstration and electrical characterization of N = 7 armchair graphene nanoribbon (7-AGNR) field effect transistors. The back-gated transistors are fabricated from atomically precise and highly aligned 7-AGNRs, synthesized with a bottom-up approach. The large area transfer process holds the promise of scalable device fabrication with atomically precise nanoribbons. The channels of the FETs are approximately 30 times longer than the average nanoribbon length of 30 nm to 40 nm. The density of the GNRs is high, so that transport can be assumed well-above the percolation threshold. The long channel transistors exhibit a maximum I ON / I OFF current ratio of 87.5.

  18. I-V characteristics of graphene nanoribbon/h-BN heterojunctions and resonant tunneling.

    Wakai, Taiga; Sakamoto, Shoichi; Tomiya, Mitsuyoshi

    2018-07-04

    We present the first principle calculations of the electrical properties of graphene sheet/h-BN heterojunction (GS/h-BN) and 11-armchair graphene nanoribbon/h-BN heterojunction (11-AGNR/h-BN), which are carried out using the density functional theory (DFT) method and the non-equilibrium Green's function (NEGF) technique. Since 11-AGNR belongs to the conductive (3n-1)-family of AGNR, both are metallic nanomaterials with two transverse arrays of h-BN, which is a wide-gap semi-conductor. The two h-BN arrays act as double barriers. The transmission functions (TF) and I-[Formula: see text] characteristics of GS/h-BN and 11-AGNR/h-BN are calculated by DFT and NEGF, and they show that quantum double barrier tunneling occurs. The TF becomes very spiky in both materials, and it leads to step-wise I-[Formula: see text] characteristics rather than negative resistance, which is the typical behavior of double barriers in semiconductors. The results of our first principle calculations are also compared with 1D Dirac equation model for the double barrier system. The model explains most of the peaks of the transmission functions nearby the Fermi energy quite well. They are due to quantum tunneling.

  19. Bends and splitters in graphene nanoribbon waveguides

    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...

  20. Seed-mediated growth of patterned graphene nanoribbon arrays

    Arnold, Michael Scott; Way, Austin James; Jacobberger, Robert Michael

    2017-09-12

    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 seed-mediated, bottom-up, chemical vapor deposition (CVD) technique in which the (001) facet of a semiconductor substrate and the orientation of the seed particles on the substrate are used to orient the graphene nanoribbon crystals preferentially along a single [110] direction of the substrate.

  1. Plasmon resonance in multilayer graphene nanoribbons

    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...

  2. Unified Drain Current Model of Armchair Graphene Nanoribbons with Uniaxial Strain and Quantum Effect

    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.

  3. First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device

    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.

  4. First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device

    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.

  5. Model of a tunneling current in a p-n junction based on armchair graphene nanoribbons - an Airy function approach and a transfer matrix method

    Suhendi, Endi; Syariati, Rifki; Noor, Fatimah A.; Khairurrijal; Kurniasih, Neny

    2014-01-01

    We modeled a tunneling current in a p-n junction based on armchair graphene nanoribbons (AGNRs) by using an Airy function approach (AFA) and a transfer matrix method (TMM). We used β-type AGNRs, in which its band gap energy and electron effective mass depends on its width as given by the extended Huckel theory. It was shown that the tunneling currents evaluated by employing the AFA are the same as those obtained under the TMM. Moreover, the calculated tunneling current was proportional to the voltage bias and inversely with temperature

  6. Fano Factor in Strained Graphene Nanoribbon Nanodevices

    Walid Soliman; Mina D.Asham; Adel H.Phillips

    2017-01-01

    We investigate the Fano factor in a strained armchair and zigzag graphene nanoribbon nanodevice under the effect of ac field in a wide range of frequencies at different temperatures (10 K T0 K).This nanodevice is modeled as follows:a graphene nanoribbon is connected to two metallic leads.These two metallic leads operate as a source and a drain.The conducting substance is the gate electrode in this three-terminal nanodevice.Another metallic gate is used to govern the electrostatics and the switching of the graphene nanoribbon channel The substances at the graphene nanoribbon/metal contact are controlled by the back gate.The photon-assisted tunneling probability is deduced by solving the Dirac eigenvalue differential equation in which the Fano factor is expressed in terms of this tunneling probability.The results show that for the investigated nanodevice,the Fano factor decreases as the frequency of the induced ac field increases,while it increases as the temperature increases.In general,the Fano factors for both strained armchair and zigzag graphene nanoribbons are different.This is due to the effect of the uniaxial strain.It is shown that the band structure parameters of graphene nanoribbons at the energy gap,the C-C bond length,the hopping integral,the Fermi energy and the width are modulated by uniaxial strain.This research gives us a promise of the present nanodevice being used for digital nanoelectronics and sensors.

  7. Graphene nanoribbons production from flat carbon nanotubes

    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. Graphene nanoribbons production from flat carbon nanotubes

    Melo, W. S.; Guerini, S.; Diniz, E. M.

    2015-01-01

    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

  9. Lithium Mediated Benzene Adsorption on Graphene and Graphene Nanoribbons

    Krepel, Dana; Hod, Oded

    2013-01-01

    The anchoring of benzene molecules on lithium adsorption sites at the surface of graphene and nanoribbons thereof are investigated. The effects of adsorbate densities, specific adsorption locations, and spin states on the structural stability and electronic properties of the underlying graphene derivatives are revealed. At sufficiently high densities, bare lithium adsorption turns armchair graphene nanoribbons metallic and their zigzag counterparts half-metallic due to charge transfer from th...

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

    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.

  11. Carbon nanotube and graphene nanoribbon interconnects

    Das, Debaprasad

    2014-01-01

    "The book, Caron Nanotube and Graphene Nanoribbon Interconnects, authored by Drs. Debapraad Das and Hafizur Rahaman serves as a good source of material on CNT and GNR interconnects for readers who wish to get into this area and also for practicing engineers who would like to be updated in advances of this field."-Prof. Ashok Srivastava, Louisiana State University, Baton Rouge, USA"Mathematical analysis included in each and every chapter is the main strength of the materials. ... The book is very precise and useful for those who are working in this area. ... highly focused, very compact, and easy to apply. ... This book depicts a detailed analysis and modelling of carbon nanotube and graphene nanoribbon interconnects. The book also covers the electrical circuit modelling of carbon nanotubes and graphene nanoribbons."-Prof. Chandan Kumar Sarkar, Jadavpur University, Kolkata, India.

  12. Resonant longitudinal Zitterbewegung in zigzag graphene nanoribbons

    Ghosh, S.; Schwingenschlö gl, Udo; Manchon, Aurelien

    2015-01-01

    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.

  13. Resonant longitudinal Zitterbewegung in zigzag graphene nanoribbons

    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.

  14. Spin transport in oxygen adsorbed graphene nanoribbon

    Kumar, Vipin

    2018-04-01

    The spin transport properties of pristine graphene nanoribbons (GNRs) have been most widely studied using theoretical and experimental tools. The possibilities of oxidation of fabricated graphene based nano electronic devices may change the device characteristics, which motivates to further explore the properties of graphene oxide nanoribbons (GONRs). Therefore, we present a systematic computational study on the spin polarized transport in surface oxidized GNR in antiferromagnetic (AFM) spin configuration using density functional theory combined with non-equilibrium Green's function (NEGF) method. It is found that the conductance in oxidized GNRs is significantly suppressed in the valance band and the conduction band. A further reduction in the conductance profile is seen in presence of two oxygen atoms on the ribbon plane. This change in the conductance may be attributed to change in the surface topology of the ribbon basal plane due to presence of the oxygen adatoms, where the charge transfer take place between the ribbon basal plane and the oxygen atoms.

  15. Selective scattering in a zigzag graphene nanoribbon

    Nakabayashi, Jun; Kurihara, Susumu

    2009-01-01

    Electric transport of a zigzag graphene nanoribbon through a step-like potential or a potential barrier is studied by using the recursive Green's function method. The results for a step-like potential show that scattering processes in a zigzag graphene nanoribbon obey a following selection rule: when the number of zigzag chains N is even, electrons in the band m are only scattered into the bands m+2n, where n is an integer. According to this selection rule, a step-like potential blocks the current when the potential height exceeds the incident energy as long as only the low-energy region is treated. Then, replacing a step-like potential with a potential barrier, we also show that it can play the role of a b and-selective filter .

  16. Quantum conductance of zigzag graphene oxide nanoribbons

    Kan, Zhe; Nelson, Christopher; Khatun, Mahfuza

    2014-01-01

    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

  17. Tunable pulse-shaping with gated graphene nanoribbons

    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....

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

    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.

  19. Influence of quasi-particle density over polaron mobility in armchair graphene nanoribbons.

    Silva, Gesiel Gomes; da Cunha, Wiliam Ferreira; de Sousa Junior, Rafael Timóteo; Almeida Fonseca, Antonio Luciano; Ribeiro Júnior, Luiz Antônio; E Silva, Geraldo Magela

    2018-06-20

    An important aspect concerning the performance of armchair graphene nanoribbons (AGNRs) as materials for conceiving electronic devices is related to the mobility of charge carriers in these systems. When several polarons are considered in the system, a quasi-particle wave function can be affected by that of its neighbor provided the two are close enough. As the overlap may affect the transport of the carrier, the question concerning how the density of polarons affect its mobility arises. In this work, we investigate such dependence for semiconducting AGNRs in the scope of nonadiabatic molecular dynamics. Our results unambiguously show an impact of the density on both the stability and average velocity of the quasi-particles. We have found a phase transition between regimes where increasing density stops inhibiting and starts promoting mobility; densities higher than 7 polarons per 45 Å present increasing mean velocity with increasing density. We have also established three different regions relating electric field and average velocity. For the lowest electric field regime, surpassing the aforementioned threshold results in overcoming the 0.3 Å fs-1 limit, thus representing a transition between subsonic and supersonic regimes. For the highest of the electric fields, density effects alone are responsible for a stunning difference of 1.5 Å fs-1 in the mean carrier velocity.

  20. Graphene nanoribbon as an elastic damper

    Evazzade, Iman; Lobzenko, Ivan P.; Saadatmand, Danial; Korznikova, Elena A.; Zhou, Kun; Liu, Bo; Dmitriev, Sergey V.

    2018-05-01

    Heterostructures composed of dissimilar two-dimensional nanomaterials can have nontrivial physical and mechanical properties which are potentially useful in many applications. Interestingly, in some cases, it is possible to create heterostructures composed of weakly and strongly stretched domains with the same chemical composition, as has been demonstrated for some polymer chains, DNA, and intermetallic nanowires supporting this effect of two-phase stretching. These materials, at relatively strong tension forces, split into domains with smaller and larger tensile strains. Within this region, average strain increases at constant tensile force due to the growth of the domain with the larger strain, at the expense of the domain with smaller strain. Here, the two-phase stretching phenomenon is described for graphene nanoribbons with the help of molecular dynamics simulations. This unprecedented feature of graphene that is revealed in our study is related to the peculiarities of nucleation and the motion of the domain walls separating the domains of different elastic strain. It turns out that the loading–unloading curves exhibit a hysteresis-like behavior due to the energy dissipation during the domain wall nucleation and motion. Here, we put forward the idea of implementing graphene nanoribbons as elastic dampers, efficiently converting mechanical strain energy into heat during cyclic loading–unloading through elastic extension where domains with larger and smaller strains coexist. Furthermore, in the regime of two-phase stretching, graphene nanoribbon is a heterostructure for which the fraction of domains with larger and smaller strain, and consequently its physical and mechanical properties, can be tuned in a controllable manner by applying elastic strain and/or heat.

  1. Plasmon resonance in single- and double-layer CVD graphene nanoribbons

    Wang, Di; Emani, Naresh K.; Chung, Ting Fung

    2015-01-01

    Dynamic tunability of the plasmonic resonance in graphene nanoribbons is desirable in the near-infrared. We demonstrated a constant blue shift of plasmonic resonances in double-layer graphene nanoribbons with respect to single-layer graphene nanoribbons. © OSA 2015.......Dynamic tunability of the plasmonic resonance in graphene nanoribbons is desirable in the near-infrared. We demonstrated a constant blue shift of plasmonic resonances in double-layer graphene nanoribbons with respect to single-layer graphene nanoribbons. © OSA 2015....

  2. Direct visualization of atomically precise nitrogen-doped graphene nanoribbons

    Zhang, Yi; Zhang, Yanfang; Li, Geng; Lu, Jianchen; Du, Shixuan; Gao, Hong-Jun; Lin, Xiao; Berger, Reinhard; Feng, Xinliang; Müllen, Klaus

    2014-01-01

    We have fabricated atomically precise nitrogen-doped chevron-type graphene nanoribbons by using the on-surface synthesis technique combined with the nitrogen substitution of the precursors. Scanning tunneling microscopy and spectroscopy indicate that the well-defined nanoribbons tend to align with the neighbors side-by-side with a band gap of 1.02 eV, which is in good agreement with the density functional theory calculation result. The influence of the high precursor coverage on the quality of the nanoribbons is also studied. We find that graphene nanoribbons with sufficient aspect ratios can only be fabricated at sub-monolayer precursor coverage. This work provides a way to construct atomically precise nitrogen-doped graphene nanoribbons.

  3. Engineering the work function of armchair graphene nanoribbons using strain and functional species: a first principles study

    Peng Xihong; Tang Fu; Copple, Andrew

    2012-01-01

    First principles density functional theory calculations were performed to study the effects of strain, edge passivation, and surface functional species on the structural and electronic properties of armchair graphene nanoribbons (AGNRs), with a particular focus on the work function. The work function was found to increase with uniaxial tensile strain and decrease with compression. The variation of the work function under strain is primarily due to the shift of the Fermi energy with strain. In addition, the relationship between the work function variation and the core level shift with strain is discussed. Distinct trends of the core level shift under tensile and compressive strain were discovered. For AGNRs with the edge carbon atoms passivated by oxygen, the work function is higher than for nanoribbons with the edge passivated by hydrogen under a moderate strain. The difference between the work functions in these two edge passivations is enlarged (reduced) under a sufficient tensile (compressive) strain. This has been correlated to a direct-indirect bandgap transition for tensile strains of about 4% and to a structural transformation for large compressive strains at about - 12%. Furthermore, the effect of the surface species decoration, such as H, F, or OH with different covering density, was investigated. It was found that the work function varies with the type and coverage of surface functional species. Decoration with F and OH increases the work function while H decreases it. The surface functional species were decorated on either one side or both sides of AGNRs. The difference in the work functions between one-sided and two-sided decorations was found to be relatively small, which may suggest an introduced surface dipole plays a minor role. (paper)

  4. Anomalous friction of graphene nanoribbons on waved graphenes

    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. Structural and electronic properties of armchair graphene nanoribbons under uniaxial strain

    Qu, Li-Hua; Zhang, Jian-Min; Xu, Ke-Wei; Ji, Vincent

    2014-02-01

    We theoretically investigate the structures, relative stabilities and electronic properties of the armchair graphene nanoribbons (AGNRs) under uniaxial strain via first-principles calculations. The results show that, although each bond length decreases (increases) with increasing compression (tension) strain especially for the axial bonds a1, a4 and a7, the ribbon geometrical width d increases (decreases) with increasing compression (tension) strain due to the rotation of the zigzag bonds a2, a3, a5 and a6. For each nanoribbon, as expected, the lowest average energy corresponds to the unstrained state and the larger contract (elongate) deformation corresponds to the higher average energy. At a certain strain, the average energy increases with decreasing the ribbon width n. The average energy increases quadratically with the absolute value of the uniaxial strain, showing an elastic behavior. The dependence of the band gap on the strain is sensitive to the ribbon width n which can be classified into three distinct families n=3I, 3I+1 and 3I+2, where I is an integer. The ribbon width leads to oscillatory band gaps due to quantum confinement effect.

  6. Mechanical properties of graphene nanoribbons under uniaxial tensile strain

    Yoneyama, Kazufumi; Yamanaka, Ayaka; Okada, Susumu

    2018-03-01

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

  7. Comparison on thermal transport properties of graphene and phosphorene nanoribbons

    Peng, Xiao-Fang; Chen, Ke-Qiu

    2015-01-01

    We investigate ballistic thermal transport at low temperatures in graphene and phosphorene nanoribbons (PNRS) modulated with a double-cavity quantum structure. A comparative analysis for thermal transport in these two kinds of nanomaterials is made. The results show that the thermal conductance in PNRS is greater than that in graphene nanoribbons (GNRS). The ratio kG/kP (kG is the thermal conductivity in GNRS and kP is the thermal conductivity in PNRS) decreases with lower temperature or for narrower nanoribbons, and increases with higher temperature or for wider nanoribbons. The greater thermal conductance and thermal conductivity in PNRS originate from the lower cutoff frequencies of the acoustic modes. PMID:26577958

  8. Electronic states of graphene nanoribbons and analytical solutions

    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.

  9. Tunable resonances due to vacancies in graphene nanoribbons

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

    2010-10-01

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

  10. Graphene nanoribbons epitaxy on boron nitride

    Lu, Xiaobo; Wang, Shuopei; Wu, Shuang; Chen, Peng; Zhang, Jing; Zhao, Jing; Meng, Jianling; Xie, Guibai; Wang, Duoming; Wang, Guole; Zhang, Ting Ting; Yang, Rong; Shi, Dongxia [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Yang, Wei [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Laboratoire Pierre Aigrain, ENS-CNRS UMR 8551, Universités Pierre et Marie Curie and Paris-Diderot, 24 rue Lhomond, 75231 Paris Cedex 05 (France); Watanabe, Kenji; Taniguchi, Takashi [National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044 (Japan); Zhang, Guangyu, E-mail: gyzhang@aphy.iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100190 (China)

    2016-03-14

    In this letter, we report a pilot study on epitaxy of monolayer graphene nanoribbons (GNRs) on hexagonal boron nitride (h-BN). We found that GNRs grow preferentially from the atomic steps of h-BN, forming in-plane heterostructures. GNRs with well-defined widths ranging from ∼15 nm to ∼150 nm can be obtained reliably. As-grown GNRs on h-BN have high quality with a carrier mobility of ∼20 000 cm{sup 2} V{sup −1} s{sup −1} for ∼100-nm-wide GNRs at a temperature of 1.7 K. Besides, a moiré pattern induced quasi-one-dimensional superlattice with a periodicity of ∼15 nm for GNR/h-BN was also observed, indicating zero crystallographic twisting angle between GNRs and h-BN substrate. The superlattice induced band structure modification is confirmed by our transport results. These epitaxial GNRs/h-BN with clean surfaces/interfaces and tailored widths provide an ideal platform for high-performance GNR devices.

  11. RKKY interaction in spin polarized armchair graphene nanoribbon

    Rezania, Hamed, E-mail: rezania.hamed@gmail.com; Azizi, Farshad

    2016-11-01

    We present the Ruderman–Kittle–Kasuya–Yosida (RKKY) interaction in the presence of magnetic long range ordered armchair graphene nanoribbon. RKKY interaction as a function of distance between localized moments has been analyzed. It has been shown that a magnetic ordering along the z-axis mediates an anisotropic interaction which corresponds to a XXZ model interaction between two magnetic moments. In order to calculate the exchange interaction along arbitrary direction between two magnetic moments, we should obtain the static spin susceptibilities of armchair graphene nanoribbon. The spin susceptibility components are calculated using Green's function approach for tight binding model Hamiltonian. The effects of spin polarization on the dependence of exchange interaction on distance between moments are investigated via calculating correlation function of spin density operators. Our results show that the chemical potential impacts the spatial behavior of RKKY interaction. - Highlights: • Theoretical calculation of RKKY interaction of armchair graphene nanoribbon. • The investigation of the effect of spin polarization on RKKY interaction. • The investigation of electronic concentration on RKKY interaction of armchair graphene nanoribbon.

  12. Quantum capacitance of the armchair-edge graphene nanoribbon

    Home; Journals; Pramana – Journal of Physics; Volume 81; Issue 2. Quantum capacitance of the ... Abstract. 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 ...

  13. Controlled synthesis of graphene nanoribbons for field effect transistors

    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}.

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

    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...

  15. Tuning the deposition of molecular graphene nanoribbons by surface functionalization

    Konnerth, R.; Cervetti, C.; Narita, A.; Feng, X.; Müllen, K.; Hoyer, A.; Burghard, M.; Kern, K.; Dressel, M.; Bogani, L.

    2015-07-01

    We show that individual, isolated graphene nanoribbons, created with a molecular synthetic approach, can be assembled on functionalised wafer surfaces treated with silanes. The use of surface groups with different hydrophobicities allows tuning the density of the ribbons and assessing the products of the polymerisation process.

  16. Plasmons in spatially separated double-layer graphene nanoribbons

    Bagheri, Mehran; Bahrami, Mousa

    2014-01-01

    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. Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

    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 fro...

  18. Electron transport in edge-disordered graphene nanoribbons

    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...

  19. Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

    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...

  20. Quantum Dots Embedded in Graphene Nanoribbons by Chemical Substitution

    Carbonell-Sanroma, Eduard; Brandimarte, Pedro; Balog, Richard

    2017-01-01

    Bottom-up chemical reactions of selected molecular precursors on a gold surface can produce high quality graphene nanoribbons (GNRs). Here, we report on the formation of quantum dots embedded in an armchair GNR by substitutional inclusion of pairs of boron atoms into the GNR backbone. The boron...

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

    Zhu, Wenpeng; Wang, Hongtao; Yang, Wei

    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

  2. Hierarchical On-Surface Synthesis of Deterministic Graphene Nanoribbon Heterojunctions

    Bronner, Christopher; Durr, Rebecca A.; Rizzo, Daniel J.; Lee, Yea-Lee; Marangoni, Tomas; Kalayjian, Alin Miksi; Rodriguez, Henry; Zhao, William; Louie, Steven G.; Fischer, Felix R.; Crommie, Michael F.

    2017-01-01

    Bottom-up graphene nanoribbon (GNR) heterojunctions are nanoscale strips of graphene whose electronic structure abruptly changes across a covalently bonded interface. Their rational design offers opportunities for profound technological advancements enabled by their extraordinary structural and electronic properties. Thus far the most critical aspect of their synthesis, the control over sequence and position of heterojunctions along the length of a ribbon, has been plagued by randomness in mo...

  3. Strain-tuning of edge magnetism in zigzag graphene nanoribbons.

    Yang, Guang; Li, Baoyue; Zhang, Wei; Ye, Miao; Ma, Tianxing

    2017-09-13

    Using the determinant quantum Monte-Carlo method, we elucidate the strain tuning of edge magnetism in zigzag graphene nanoribbons. Our intensive numerical results show that a relatively weak Coulomb interaction may induce a ferromagnetic-like behaviour with a proper strain, and the edge magnetism can be enhanced greatly as the strain along the zigzag edge increases, which provides another way to control graphene magnetism even at room temperature.

  4. Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

    Capaz, Rodrigo; Yazyev, Oleg; Louie, Steven

    2011-03-01

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

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

    Wang, Yang; Chen, Xiaolong; Ye, Weiguang; Wu, Zefei; Han, Yu; Han, Tianyi; He, Yuheng; Cai, Yuan; Wang, Ning

    2014-01-01

    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 + beam etching process

  6. Influence of edge roughness on graphene nanoribbon resonant tunnelling diodes

    Liang Gengchiau; Khalid, Sharjeel Bin; Lam, Kai-Tak

    2010-01-01

    The edge roughness effects of graphene nanoribbons on their application in resonant tunnelling diodes with different geometrical shapes (S, H and W) were investigated. Sixty samples for each 5%, 10% and 15% edge roughness conditions of these differently shaped graphene nanoribbon resonant tunnelling diodes were randomly generated and studied. Firstly, it was observed that edge roughness in the barrier regions decreases the effective barrier height and thickness, which increases the broadening of the quantized states in the quantum well due to the enhanced penetration of the wave-function tail from the electrodes. Secondly, edge roughness increases the effective width of the quantum well and causes the lowering of the quantized states. Furthermore, the shape effects on carrier transport are modified by edge roughness due to different interfacial scattering. Finally, with the effects mentioned above, edge roughness has a considerable impact on the device performance in terms of varying the peak-current positions and degrading the peak-to-valley current ratio.

  7. Graphene nanoribbon superlattices fabricated via He ion lithography

    Archanjo, Braulio S.; Fragneaud, Benjamin; Gustavo Cançado, Luiz; Winston, Donald; Miao, Feng; Alberto Achete, Carlos; Medeiros-Ribeiro, Gilberto

    2014-01-01

    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 + -beam lithography can texture graphene with less damage

  8. Graphene nanoribbon superlattices fabricated via He ion lithography

    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.

  9. Theory of Electro-Optical Properties of Graphene Nanoribbons

    Gundra, Kondayya; Shukla, Alok

    2010-01-01

    We present calculations of the optical absorption and electro-absorption spectra of graphene nanoribbons (GNRs) using a $\\pi-$electron approach, incorporating long-range Coulomb interactions within the Pariser-Parr-Pople (PPP) model Hamiltonian. The approach is carefully bench marked by computing quantities such as the band structure, electric-field driven half metallicity, and linear optical absorption spectra of GNRs of various types, and the results are in good agreement with those obtaine...

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

    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 ...

  11. The complex band structure for armchair graphene nanoribbons

    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 nanoribbons, and is also classified into three classes

  12. Carbon Nanotubes and Graphene Nanoribbons: Potentials for Nanoscale Electrical Interconnects

    Swastik Kar

    2013-08-01

    Full Text Available Carbon allotropes have generated much interest among different scientific communities due to their peculiar properties and potential applications in a variety of fields. Carbon nanotubes and more recently graphene have shown very interesting electrical properties along with the possibility of being grown and/or deposited at a desired location. In this Review, we will focus our attention on carbon-based nanostructures (in particular, carbon nanotubes and graphene nanoribbons which could play an important role in the technological quest to replace copper/low-k for interconnect applications. We will provide the reader with a number of possible architectures, including single-wall as well as multi-wall carbon nanotubes, arranged in horizontal and vertical arrays, regarded as individual objects as well as bundles. Modification of their functional properties in order to fulfill interconnect applications requirements are also presented. Then, in the second part of the Review, recently discovered graphene and in particular graphene and few-graphene layers nanoribbons are introduced. Different architectures involving nanostructured carbon are presented and discussed in light of interconnect application in terms of length, chirality, edge configuration and more.

  13. Current-induced runaway vibrations in dehydrogenated graphene nanoribbons

    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.

  14. Large negative differential resistance in graphene nanoribbon superlattices

    Tseng, P.; Chen, C. H.; Hsu, S. A.; Hsueh, W. J.

    2018-05-01

    A graphene nanoribbon superlattice with a large negative differential resistance (NDR) is proposed. Our results show that the peak-to-valley ratio (PVR) of the graphene superlattices can reach 21 at room temperature with bias voltages between 90-220 mV, which is quite large compared with the one of traditional graphene-based devices. It is found that the NDR is strongly influenced by the thicknesses of the potential barrier. Therefore, the NDR effect can be optimized by designing a proper barrier thickness. The large NDR effect can be attributed to the splitting of the gap in transmission spectrum (segment of Wannier-Stark ladder) with larger thicknesses of barrier when the applied voltage increases.

  15. Strain-activated edge reconstruction of graphene nanoribbons

    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.

  16. Selective interface transparency in graphene nanoribbon based molecular junctions.

    Dou, K P; Kaun, C C; Zhang, R Q

    2018-03-08

    A clear understanding of electrode-molecule interfaces is a prerequisite for the rational engineering of future generations of nanodevices that will rely on single-molecule coupling between components. With a model system, we reveal a peculiar dependence on interfaces in all graphene nanoribbon-based carbon molecular junctions. The effect can be classified into two types depending on the intrinsic feature of the embedded core graphene nanoflake (GNF). For metallic GNFs with |N A - N B | = 1, good/poor contact transparency occurs when the core device aligns with the center/edge of the electrode. The situation is reversed when a semiconducting GNF is the device, where N A = N B . These results may shed light on the design of real connecting components in graphene-based nanocircuits.

  17. Strain-activated edge reconstruction of graphene nanoribbons

    Cheng, Yingchun; Han, Yu; Schwingenschlö gl, Udo; Wang, H. T.; Zhang, Xixiang; Zhu, Y. H.; Zhu, Zhiyong

    2012-01-01

    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.

  18. Confined States and Tunnelling in Gated Graphene Nanoribbons

    Guilleminot, E.,; Meza-Montes, L.

    Graphene Quantum Dots (GQDs) are promising candidates for the development of quantum information processors. We propose a scheme to determine electronic states of GQDs as defined by voltage gates applied to armchair graphene nanoribbons. Using transfer matrix method based on the set of solutions proposed by Burkard et al ., we study confined states of double wells and the transmission of electrons through double barrier systems. Comparison with previous results for systems on the graphene sheet shows good agreement. Confined states of a double well turn out to be very sensitive to deformation of the potential profile, showing strong localization of the electron for asymmetric systems, which also depends on the considered state. Spikes of high transmission appeared for periodic values of the incident angle of the electron travelling through a double barrier and disappear as the systems approaches to a single barrier as one barrier vanishes. We remark effects not shown in usual semiconductor heterostructures. Partially supported by VIEP-BUAP, Mexico,.

  19. Resonance Transport of Graphene Nanoribbon T-Shaped Junctions

    Xiao-Lan, Kong; Yong-Jian, Xiong

    2010-01-01

    We investigate the transport properties of T-shaped junctions composed of armchair graphene nanoribbons of different widths. Three types of junction geometries are considered. The junction conductance strongly depends on the atomic features of the junction geometry. When the shoulders of the junction have zigzag type edges, sharp conductance resonances usually appear in the low energy region around the Dirac point, and a conductance gap emerges. When the shoulders of the junction have armchair type edges, the conductance resonance behavior is weakened significantly, and the metal-metal-metal junction structures show semimetallic behaviors. The contact resistance also changes notably due to the various interface geometries of the junction

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

    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.

  1. Magnetotransport Properties of Graphene Nanoribbons with Zigzag Edges

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

    2018-05-01

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

  2. Edge-riched graphene nanoribbon for high capacity electrode materials

    Ping, Yunjie; Zhang, Yupeng; Gong, Youning; Cao, Bing; Fu, Qiang; Pan, Chunxu

    2017-01-01

    Highlights: •The graphene nanoribbon has been successfully synthesized by longitudinal unzipping of carbon nanotubes with oxidants KMnO 4 . •Compared with graphene oxide and carbon nanotubes, graphene nanoribbon shows the largest capacitance up to ∼202F/g at a scan rate of 5 mV/s. •The importance of the location of functional groups and the importance of the edge structure. •The pseudo-capacitance material should have high electron transfer and rapid ion diffusion. -- Abstract: Carbon materials have attracted great attention for their diversified applications in supercapacitors, and different structures of carbon have been reported to exhibit dissimilar electrochemical properties. In the past, activated carbons, carbon nanotubes (CNTs), carbon nanofibers and graphene have been shown to have excellent electrochemical performances, but it still remains a problem on how to improve the capacitance of carbon-based materials effectively from the viewpoint of their giant commercial potential. Noticing that connecting chemical groups to carbon can provide large pseudo-capacitance, we hereby demonstrated that the position of the chemical groups also plays an important role in the pseudo-capacitance. In our work, we synthesized graphene nanoribbon (GNR), graphene oxide (GO) and functional MWCNTs and showed that GNR has larger capacitance (calculated to be 202 F/g at a scan rate of 5 mV/s) and energy density compared to CNTs and GO when using as electrode materials. Furthermore, the supercapacitor device based on as-synthesized GNR exhibits excellent cycle stability and rate capability which evident is potential in high performance supercapacitor. Revealing the source of the capacitance, we found that though GNR has less oxygen-containing groups, it has larger pseudo-capacitance than GO and CNTs due to the remarkable edge-riched structure with high activity in electrochemical reactions. This finding highlights the importance of edge structure in carbon-based pseudo

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

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

    2015-12-09

    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.

  4. Energetics of edge oxidization of graphene nanoribbons

    Yasuma, Airi; Yamanaka, Ayaka; Okada, Susumu

    2018-06-01

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

  5. Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension

    Lu, Qiang; Gao, Wei; Huang, Rui

    2011-01-01

    Atomistic simulations are performed to study the nonlinear mechanical behavior of graphene nanoribbons under quasistatic uniaxial tension, emphasizing the effects of edge structures (armchair and zigzag, without and with hydrogen passivation) on elastic modulus and fracture strength. The numerical results are analyzed within a theoretical model of thermodynamics, which enables determination of the bulk strain energy density, the edge energy density and the hydrogen adsorption energy density as nonlinear functions of the applied strain based on static molecular mechanics simulations. These functions can be used to describe mechanical behavior of graphene nanoribbons from the initial linear elasticity to fracture. It is found that the initial Young's modulus of a graphene nanoribbon depends on the ribbon width and the edge chirality. Furthermore, it is found that the nominal strain to fracture is considerably lower for graphene nanoribbons with armchair edges than for ribbons with zigzag edges. Molecular dynamics simulations reveal two distinct fracture nucleation mechanisms: homogeneous nucleation for the zigzag-edged graphene nanoribbons and edge-controlled heterogeneous nucleation for the armchair-edged ribbons. The modeling and simulations in this study highlight the atomistic mechanisms for the nonlinear mechanical behavior of graphene nanoribbons with the edge effects, which is potentially important for developing integrated graphene-based devices

  6. All-zigzag graphene nanoribbons for planar interconnect application

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

    2017-07-01

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

  7. Tuning of graphene nanoribbon Landau levels by a nanotube

    Li, T S; Chang, S C; Lin, M F

    2009-01-01

    We investigate theoretically the effects of a nanotube on the graphene nanoribbon Landau level spectrum utilizing the tight-binding model. The addition of a nanotube changes the original dispersionless Landau subbands into distorted parabolic ones, creates additional band-edge states, and modifies the subband spacings. Moreover, the dispersion relations rely sensitively on the nanotube location. The nanotube-ribbon couplings disrupt the Landau wavefunctions and lift their spatial symmetry, which will change the selection rule of optical transitions. The numbers, frequencies and heights of the density of states (DOS) peaks are found to be strongly dependent on the magnetic flux density and the nanotube location. The evolution of the DOS peak with the magnetic flux density is explored. The graphene nanoribbon Landau levels are shown to be modified in an unexpected fashion by the nanotube-ribbon interactions. These predictions can be validated by measuring the spectra of scanning tunneling experiments or magneto-optical experiments, and they are most observable by placing the nanotube at the electron wavefunction localization sites.

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

    Liu, Haiyue; Niu, Yanxiong; Yin, Yiheng; Liu, Shuai

    2016-01-01

    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_xGa_xAs in room temperature.

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

    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.

  10. Structural, electronic, and magnetic properties of pristine and oxygen-adsorbed graphene nanoribbons

    Miwa, R.H.; Veiga, R.G.A. [Instituto de Fisica, Universidade Federal de Uberlandia, Caixa Postal 593, CEP 38400-902, Uberlandia, MG (Brazil); Srivastava, G.P., E-mail: gps@excc.ex.ac.uk [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom)

    2010-07-15

    The structural, electronic and magnetic properties of pristine and oxygen-adsorbed (3,0) zigzag and (6,1) armchair graphene nanoribbons have been investigated theoretically, by employing the ab initio pseudopotential method within the density functional scheme. The zigzag nanoribbon is more stable with antiferromagnetically coupled edges, and is semiconducting. The armchair nanoribbon does not show any preference for magnetic ordering and is semiconducting. The oxygen molecule in its triplet state is adsorbed most stably at the edge of the zigzag nanoribbon. The Stoner metallic behaviour of the ferromagnetic nanoribbons and the Slater insulating (ground state) behaviour of the antiferromagnetic nanoribbons remain intact upon oxygen adsorption. However, the local magnetic moment of the edge carbon atom of the ferromagnetic zigzag ribbon is drastically reduced, due to the formation of a spin-paired C-O bond.

  11. Electronic structure and transport properties of hydrogenated graphene and graphene nanoribbons

    Choe, D H; Bang, Junhyeok; Chang, K J, E-mail: kchang@kaist.ac.kr [Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701 (Korea, Republic of)

    2010-12-15

    The band gap opening is one of the important issues in applications of graphene and graphene nanoribbons (GNRs) to nanoscale electronic devices. As hydrogen strongly interacts with graphene and creates short-range disorder, the electronic structure is significantly modified by hydrogenation. Based on first-principles and tight-binding calculations, we investigate the electronic and transport properties of hydrogenated graphene and GNRs. In disordered graphene with low doses of H adsorbates, the low-energy states near the neutrality point are localized, and the degree of localization extends to high-energy states with increasing adsorbate density. To characterize the localization of eigenstates, we examine the inverse participation ratio and find that the localization is greatly enhanced for the defect levels, which are accumulated around the neutrality point. Our calculations support the previous result that even with a low dose of H adsorbates, graphene undergoes a metal-insulator transition. In GNRs, relaxations of the edge C atoms play a role in determining the edge structure and the hydrocarbon conformation at low and high H concentrations, respectively. In disordered nanoribbons, we find that the energy states near the neutrality point are localized and conductances through low-energy channels decay exponentially with sample size, similar to disordered graphene. For a given channel energy, the localization length tends to decrease as the adsorbate density increases. Moreover, the energy range of localization exceeds the intrinsic band gap.

  12. Self-Organized Graphene Nanoribbons on SiC(0001) Studied with Scanning Tunneling Microscopy

    Torrance, David; Zhang, Baiqian; Hoang, Tien; First, Phillip

    2012-02-01

    Graphene nanoribbons grown directly on nanofacets of SiC(0001) offer an attractive union of top-down and bottom-up fabrication techniques. Nanoribbons have been shown to form on the facets of templated silicon carbide substrates,ootnotetextSprinkle et al., Nat. Nanotech. 5, 727 (2010). but also appear spontaneously along step-bunches on vicinal SiC(0001) miscut slightly towards . These self-organized graphene nanoribbons were characterized with low-energy electron diffraction (LEED) and Auger electron spectroscopy (AES) in ultra-high vacuum. Our measurements indicate that the graphene forms a continuous ``buffer layer'' across the SiC(0001) terraces during nanoribbon formation, with the zigzag edge of the buffer layer aligned parallel to the step-bunched nanofacets. Scanning tunneling microscopy/spectroscopy (STM/STS) was used to characterize the topography and electrical characteristics of the graphene nanoribbons. These measurements indicate that the graphene nanoribbons are highly-crystalline with predominantly zigzag edges.

  13. Modelling of Graphene Nanoribbon Fermi Energy

    Johari, Z.; Ahmadi, M.T.; Chek, D.C.Y.; Amin, N.A.; Ismail, R.

    2010-01-01

    Graphene nano ribbon (GNR) is a promising alternative to carbon nano tube (CNT) to overcome the chirality challenge as a nano scale device channel. Due to the one-dimensional behavior of plane GNR, the carrier statistic study is attractive. Research works have been done on carrier statistic study of GNR especially in the parabolic part of the band structure using Boltzmann approximation (nondegenerate regime). Based on the quantum confinement effect, we have improved the fundamental study in degenerate regime for both the parabolic and non parabolic parts of GNR band energy. Our results demonstrate that the band energy of GNR near to the minimum band energy is parabolic. In this part of the band structure, the Fermi-Dirac integrals are sufficient for the carrier concentration study. The Fermi energy showed the temperature-dependent behavior similar to any other one-dimensional device in nondegenerate regime. However in the degenerate regime, the normalized Fermi energy with respect to the band edge is a function of carrier concentration. The numerical solution of Fermi-Dirac integrals for non parabolic region, which is away from the minimum energy band structure of GNR, is also presented.

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

    Nakabayashi, Jun; Yamamoto, Daisuke; Kurihara, Susumu

    2009-02-13

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

  15. Collective modes of massive Dirac fermions in armchair graphene nanoribbons

    Andersen, David R; Raza, Hassan

    2013-01-01

    We report the plasmon dispersion characteristics of intrinsic and extrinsic armchair graphene nanoribbons of atomic width N = 5 using a p z -orbital tight binding model with third-nearest-neighbor (3nn) coupling. The hopping parameters are obtained by fitting the 3nn dispersions to those of an extended Hückel theory. The resultant massive Dirac fermion system has a band gap E g ≈ 64 meV. The extrinsic plasmon dispersion relation is found to asymptotically approach a universal dispersion curve as the chemical potential μ increases, whereas the intrinsic plasmon dispersion relation is found to have both energy and momentum thresholds. We also report an analytical model for the extrinsic plasmon group velocity in the q → 0 limit.

  16. Relaxation of electron–hole spins in strained graphene nanoribbons

    Prabhakar, Sanjay; Melnik, Roderick

    2015-01-01

    We investigate the influence of magnetic field originating from the electromechanical effect on the spin-flip behaviors caused by electromagnetic field radiation in the strained graphene nanoribbons (GNRs). We show that the spin splitting energy difference (≈10 meV) due to pseudospin is much larger than the spin-orbit coupling effect (Balakrishnan et al 2013 Nat. Phys. 9 284) that might provide an evidence of broken symmetry of degeneracy. The induced spin splitting energy due to ripple waves can be further enhanced with increasing values of applied tensile edge stress for potential applications in straintronic devices. In particular, we show that the enhancement in the magnitude of the ripple waves due to externally applied tensile edge stress extends the tuning of spin-flip behaviors to larger widths of GNRs. (paper)

  17. Spin-dependent transport through interacting graphene armchair nanoribbons

    Koller, Sonja; Mayrhofer, Leonhard; Grifoni, Milena

    2010-01-01

    We investigate spin effects in transport across fully interacting, finite-size graphene armchair nanoribbons (ACNs) contacted to collinearly spin-polarized leads. In such systems, the presence of short-range Coulomb interaction between bulk states and states localized at the ribbon ends leads to novel spin-dependent phenomena. Specifically, the total spin of the low-energy many-body states is conserved during tunneling but that of the bulk and end states is not. As a consequence, in the single-electron regime, dominated by Coulomb blockade phenomena, we find pronounced negative differential conductance features for ACNs contacted to parallel polarized leads. These features are, however, absent in an anti-parallel contact configuration, which in turn leads, within a certain gate and bias voltage region, to a negative tunneling magneto-resistance. Moreover, we analyze the changes in the transport characteristics under the influence of an external magnetic field.

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

    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.

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

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

    2014-03-26

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

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

    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. © 2011 American Chemical Society

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

    Rasappa, Sozaraj; Caridad, Jose; Schulte, Lars

    2015-01-01

    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...... by the hard oxidized PDMS mask formed in situ during oxygen plasma etching....

  2. Densely Aligned Graphene Nanoribbon Arrays and Bandgap Engineering

    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

  3. Tunable phonon-induced transparency in bilayer graphene nanoribbons.

    Yan, Hugen; Low, Tony; Guinea, Francisco; Xia, Fengnian; Avouris, Phaedon

    2014-08-13

    In the phenomenon of plasmon-induced transparency, which is a classical analogue of electromagnetically induced transparency (EIT) in atomic gases, the coherent interference between two plasmon modes results in an optical transparency window in a broad absorption spectrum. With the requirement of contrasting lifetimes, typically one of the plasmon modes involved is a dark mode that has limited coupling to the electromagnetic radiation and possesses relatively longer lifetime. Plasmon-induced transparency not only leads to light transmission at otherwise opaque frequency regions but also results in the slowing of light group velocity and enhanced optical nonlinearity. In this article, we report an analogous behavior, denoted as phonon-induced transparency (PIT), in AB-stacked bilayer graphene nanoribbons. Here, light absorption due to the plasmon excitation is suppressed in a narrow window due to the coupling with the infrared active Γ-point optical phonon, whose function here is similar to that of the dark plasmon mode in the plasmon-induced transparency. We further show that PIT in bilayer graphene is actively tunable by electrostatic gating and estimate a maximum slow light factor of around 500 at the phonon frequency of 1580 cm(-1), based on the measured spectra. Our demonstration opens an avenue for the exploration of few-photon nonlinear optics and slow light in this novel two-dimensional material.

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

    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. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  5. A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbons

    Sevincli, Haldun; Sevik, Cem; Cagin, Tahir

    2013-01-01

    We propose a hybrid nano-structuring scheme for tailoring thermal and thermoelectric transport properties of graphene nanoribbons. Geometrical structuring and isotope cluster engineering are the elements that constitute the proposed scheme. Using first-principles based force constants and Hamilto......We propose a hybrid nano-structuring scheme for tailoring thermal and thermoelectric transport properties of graphene nanoribbons. Geometrical structuring and isotope cluster engineering are the elements that constitute the proposed scheme. Using first-principles based force constants...... and Hamiltonians, we show that the thermal conductance of graphene nanoribbons can be reduced by 98.8% at room temperature and the thermoelectric figure of merit, ZT, can be as high as 3.25 at T = 800 K. The proposed scheme relies on a recently developed bottom-up fabrication method, which is proven to be feasible...

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

    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.

  7. Short-channel field-effect transistors with 9-atom and 13-atom wide graphene nanoribbons.

    Llinas, Juan Pablo; Fairbrother, Andrew; Borin Barin, Gabriela; Shi, Wu; Lee, Kyunghoon; Wu, Shuang; Yong Choi, Byung; Braganza, Rohit; Lear, Jordan; Kau, Nicholas; Choi, Wonwoo; Chen, Chen; Pedramrazi, Zahra; Dumslaff, Tim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus; Fischer, Felix; Zettl, Alex; Ruffieux, Pascal; Yablonovitch, Eli; Crommie, Michael; Fasel, Roman; Bokor, Jeffrey

    2017-09-21

    Bottom-up synthesized graphene nanoribbons and graphene nanoribbon heterostructures have promising electronic properties for high-performance field-effect transistors and ultra-low power devices such as tunneling field-effect transistors. However, the short length and wide band gap of these graphene nanoribbons have prevented the fabrication of devices with the desired performance and switching behavior. Here, by fabricating short channel (L ch  ~ 20 nm) devices with a thin, high-κ gate dielectric and a 9-atom wide (0.95 nm) armchair graphene nanoribbon as the channel material, we demonstrate field-effect transistors with high on-current (I on  > 1 μA at V d  = -1 V) and high I on /I off  ~ 10 5 at room temperature. We find that the performance of these devices is limited by tunneling through the Schottky barrier at the contacts and we observe an increase in the transparency of the barrier by increasing the gate field near the contacts. Our results thus demonstrate successful fabrication of high-performance short-channel field-effect transistors with bottom-up synthesized armchair graphene nanoribbons.Graphene nanoribbons show promise for high-performance field-effect transistors, however they often suffer from short lengths and wide band gaps. Here, the authors use a bottom-up synthesis approach to fabricate 9- and 13-atom wide ribbons, enabling short-channel transistors with 10 5 on-off current ratio.

  8. The effect of electron-electron interaction induced dephasing on electronic transport in graphene nanoribbons

    Kahnoj, Sina Soleimani; Touski, Shoeib Babaee [School of Electrical and Computer Engineering, University of Tehran, P.O. Box 14395-515, Tehran (Iran, Islamic Republic of); Pourfath, Mahdi, E-mail: pourfath@ut.ac.ir, E-mail: pourfath@iue.tuwien.ac.at [School of Electrical and Computer Engineering, University of Tehran, P.O. Box 14395-515, Tehran (Iran, Islamic Republic of); Institute for Microelectronics, TU Wien, Gusshausstrasse 27–29/E360, 1040 Vienna (Austria)

    2014-09-08

    The effect of dephasing induced by electron-electron interaction on electronic transport in graphene nanoribbons is theoretically investigated. In the presence of disorder in graphene nanoribbons, wavefunction of electrons can set up standing waves along the channel and the conductance exponentially decreases with the ribbon's length. Employing the non-equilibrium Green's function formalism along with an accurate model for describing the dephasing induced by electron-electron interaction, we show that this kind of interaction prevents localization and transport of electrons remains in the diffusive regime where the conductance is inversely proportional to the ribbon's length.

  9. Atomistic switch of giant magnetoresistance and spin thermopower in graphene-like nanoribbons

    Zhai, Ming-Xing; Wang, Xue-Feng

    2016-01-01

    We demonstrate that the giant magnetoresistance can be switched off (on) in even- (odd-) width zigzag graphene-like nanoribbons by an atomistic gate potential or edge disorder inside the domain wall in the antiparallel (ap) magnetic configuration. A strong magneto-thermopower effect is also predicted that the spin thermopower can be greatly enhanced in the ap configuration while the charge thermopower remains low. The results extracted from the tight-binding model agree well with those obtained by first-principles simulations for edge doped graphene nanoribbons. Analytical expressions in the simplest case are obtained to facilitate qualitative analyses in general contexts. PMID:27857156

  10. Rectifying performance in zigzag graphene nanoribbon heterojunctions with different edge hydrogenations

    Cao, Can; Chen, Ling-Na; Long, Meng-Qiu; Xu, Hui

    2013-01-01

    Using nonequilibrium Green's functions in combination with the density functional theory, we investigated the electronic transport behaviors of zigzag graphene nanoribbon (ZGNR) heterojunctions with different edge hydrogenations. The results show that electronic transport properties of ZGNR heterojunctions can be modulated by hydrogenations, and prominent rectification effects can be observed. We propose that the edge dihydrogenation leads to a blocking of electronic transfer, as well as the changes of the distribution of the frontier orbital at negative/positive bias might be responsible for the rectification effects. These results may be helpful for designing practical devices based on graphene nanoribbons.

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

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

    2017-09-01

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

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

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

    2009-07-01

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

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

    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.

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

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

    2017-12-01

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

  15. Graphene oxide nanoribbons and their applications in supercapacitors

    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.

  16. Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor

    Nguyen, Giang D.; Tsai, Hsin-Zon; Omrani, Arash A.; Marangoni, Tomas; Wu, Meng; Rizzo, Daniel J.; Rodgers, Griffin F.; Cloke, Ryan R.; Durr, Rebecca A.; Sakai, Yuki; Liou, Franklin; Aikawa, Andrew S.; Chelikowsky, James R.; Louie, Steven G.; Fischer, Felix R.; Crommie, Michael F.

    2017-11-01

    The rational bottom-up synthesis of atomically defined graphene nanoribbon (GNR) heterojunctions represents an enabling technology for the design of nanoscale electronic devices. Synthetic strategies used thus far have relied on the random copolymerization of two electronically distinct molecular precursors to yield GNR heterojunctions. Here we report the fabrication and electronic characterization of atomically precise GNR heterojunctions prepared through late-stage functionalization of chevron GNRs obtained from a single precursor. Post-growth excitation of fully cyclized GNRs induces cleavage of sacrificial carbonyl groups, resulting in atomically well-defined heterojunctions within a single GNR. The GNR heterojunction structure was characterized using bond-resolved scanning tunnelling microscopy, which enables chemical bond imaging at T = 4.5 K. Scanning tunnelling spectroscopy reveals that band alignment across the heterojunction interface yields a type II heterojunction, in agreement with first-principles calculations. GNR heterojunction band realignment proceeds over a distance less than 1 nm, leading to extremely large effective fields.

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

    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.

  18. Simulation of 50-nm Gate Graphene Nanoribbon Transistors

    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.

  19. Tunable plasmons in regular planar arrays of graphene nanoribbons with armchair and zigzag-shaped edges

    Cristian Vacacela Gomez

    2017-01-01

    Full Text Available Recent experimental evidence for and the theoretical confirmation of tunable edge plasmons and surface plasmons in graphene nanoribbons have opened up new opportunities to scrutinize the main geometric and conformation factors, which can be used to modulate these collective modes in the infrared-to-terahertz frequency band. Here, we show how the extrinsic plasmon structure of regular planar arrays of graphene nanoribbons, with perfectly symmetric edges, is influenced by the width, chirality and unit-cell length of each ribbon, as well as the in-plane vacuum distance between two contiguous ribbons. Our predictions, based on time-dependent density functional theory, in the random phase approximation, are expected to be of immediate help for measurements of plasmonic features in nanoscale architectures of nanoribbon devices.

  20. On the role of disorder on graphene and graphene nanoribbon-based vertical tunneling transistors

    Ghobadi, Nayereh; Pourfath, Mahdi

    2014-01-01

    In this work, the characteristics of vertical tunneling field-effect transistors based on graphene (VTGFET) and graphene nanoribbon heterostructure (VTGNRFET) in the presence of disorder are theoretically investigated. An statistical analysis based on an atomistic tight-binding model for the electronic bandstructure along with the non-equilibrium Green's function formalism are employed. We study the dependence of the averaged density of states, transmission probability, on- and off-state conductances, on/off conductance ratio, and transfer characteristics on the substrate induced potential fluctuations and vacancies. In addition, the variabilities of the device characteristics due to the presence of disorder are evaluated. It can be inferred from the results that while introducing vacancies cause a relatively modest suppression of the transmission probability, potential fluctuations lead to the significant increase of transmission probability and conductance of the device. Moreover, the results show that the transport properties of VTGFET are more robust against disorder compared to VTGNRFET

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

    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...

  2. Electronic transport in helium-ion-beam etched encapsulated graphene nanoribbons

    Nanda, G.; Hlawacek, Gregor; Goswami, S.; Watanabe, Kenji; Taniguchi, Takashi; Alkemade, P.F.A.

    2017-01-01

    We report the etching of and electronic transport in nanoribbons of graphene sandwiched between atomically flat hexagonal boron nitride (h-BN). The etching of ribbons of varying width was achieved with a focused beam of 30 keV He+ ions. Using in-situ electrical measurements, we

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

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

    2018-03-01

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

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

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

    2017-03-20

    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 C 60 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.

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

    Zhang, Yong-Xing; Jia, Yong

    2015-01-01

    Highlights: • Commercial Fe 2 O 3 and Al 2 O 3 powders were chosen to prepare Fe 2 O 3 /Al 2 O 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 2 O 3 /Al 2 O 3 catalyst was prepared by simply calcining the mixture of commercial Fe 2 O 3 and Al 2 O 3 powders at 1000 °C. The obtained Fe 2 O 3 /Al 2 O 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.

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

    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.

  7. Iodine versus Bromine Functionalization for Bottom-Up Graphene Nanoribbon Growth

    Bronner, Christopher; Marangoni, Tomas; Rizzo, Daniel J.

    2017-01-01

    Deterministic bottom-up approaches for synthesizing atomically well-defined graphene nanoribbons (GNRs) largely rely on the surface-catalyzed activation of selected labile bonds in a molecular precursor followed by step-growth polymerization and cyclodehydrogenation. While the majority of success...

  8. Graphene Nanoribbons @ Vanadium Oxide Nanostrips for Supercapacitive Energy Storage

    Sahu, Vikrant; Goel, Shubhra; Kumar Tomar, Anuj; Singh, Gurmeet; Sharma, Raj Kishore

    2017-01-01

    Highlights: • ∼15 wt% GNR in VOS@GNRnanocompositeplaysacrucialroleinminimizationtheiR-drop. (*). • VOS@GNR shows high capacitance 335.8 F g −1 at 1 A g −1 . • High cycling stability with ∼98.5% capacitance retention & high workable current density. • V 2 O 5 over GNR, improved conductivity and ionic accessibility leading to low iR-drop. - Abstract: Nanocomposite GNR@VOS composed of V 2 O 5 nanostrips (VOS) embedded over graphene nanoribbons (GNR) is synthesized by facile hydrothermal route and examined as supercapacitor electrode. GNR as support in mere ∼15 wt% plays an important role in patterning the nanocomposite growth as a template. Selective formation of VOS leads to ordered growth and at the same time channelizes the microstructural (shape/size, porosity) as well electrochemical characteristics of the nanocomposite. GNR@VOS so formed is highly accessible electrode matrix in which the underlying GNR acts as conducting support to efficiently minimize the internal resistance (iR-drop) of the electrode. The study suggests that the conductive properties of VOS can be enhanced by integration with GNR displaying increased solid-state conductivity by two orders (bare VOS: 4.2 × 10 −4 S m −1 and GNR@VOS: 1.4 × 10 −2 S m −1 ). These attributes result in high energy density for GNR@VOS as 42.09 Wh kg −1 at power density 475 W kg −1 . The enhanced performance of GNR@VOS supercapacitor cell from low (1 A g −1 ) to high current density (20 A g −1 ) is attributed to the balanced ionic and electronic conduction.

  9. Spin thermopower and thermoconductance in a ferromagnetic graphene nanoribbon

    Cheng Shuguang

    2012-01-01

    The spin thermoelectric properties of a zigzag edged ferromagnetic (FM) graphene nanoribbon are studied theoretically by using the non-equilibrium Green’s function method combined with the Landauer-Büttiker formula. By applying a temperature gradient along the ribbon, under closed boundary conditions, there is a spin voltage ΔV s inside the terminal as the response to the temperature difference ΔT between two terminals. Meanwhile, the heat current ΔQ is accompanied from the ‘hot’ terminal to the ‘cold’ terminal. The spin thermopower S = ΔV s /ΔT and thermoconductance κ = ΔQ/ΔT are obtained. When there is no magnetic field, S versus E R curves show peaks and valleys as a result of band selective transmission and Klein tunneling with E R being the on-site energy of the right terminal. The results are in agreement with the semi-classical Mott relation. When |E R | R | > M, the quantized value of κ=π 2 k B 2 T/3 h appears. In the quantum Hall regime, because Klein tunneling is suppressed, S peaks are eliminated and the quantized value of κ is much clearer. We also investigate how the thermoelectric properties are affected by temperature, FM exchange split energy and Anderson disorder. The results indicate that S and κ are sensitive to disorder. S is suppressed for even small disorder strengths. For small disorder strengths, κ is enhanced and for moderate disorder strengths, κ shows quantized values.

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

    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...... tunneling spectroscopy (IETS) of long pristine and defective armchair and zigzag nanoribbons under a range of charge carrier conditions. For the armchair ribbons we find two robust IETS signals around 169 and 196 mV corresponding to the D and G modes of Raman spectroscopy as well as additional fingerprints...

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

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

    2017-06-01

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

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

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

    2017-01-01

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

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

    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

    2016-01-01

    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. - 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.

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

    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.

  15. From diffusive to ballistic transport in etched graphene constrictions and nanoribbons

    Somanchi, Sowmya; Peiro, Julian; Staggenborg, Maximilian; Beschoten, Bernd [JARA-FIT and 2nd Institute of Physics, RWTH Aachen University (Germany); Terres, Bernat; Stampfer, Christoph [JARA-FIT and 2nd Institute of Physics, RWTH Aachen University (Germany); Peter Gruenberg Institute (PGI-9), Forschungszentrum Juelich (Germany); Watanabe, Kenji; Taniguchi, Takashi [National Institute for Materials Science, Tsukuba (Japan)

    2017-11-15

    Graphene nanoribbons and constrictions are envisaged as fundamental components of future carbon-based nanoelectronic and spintronic devices. At nanoscale, electronic effects in these devices depend heavily on the dimensions of the active channel and the nature of edges. Hence, controlling both these parameters is crucial to understand the physics in such systems. This review is about the recent progress in the fabrication of graphene nanoribbons and constrictions in terms of low temperature quantum transport. In particular, recent advancements using encapsulated graphene allowing for quantized conductance and future experiments towards exploring spin effects in these devices are presented. The influence of charge carrier inhomogeneity and the important length scales which play a crucial role for transport in high quality samples are also discussed. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Graphene nanoribbon field-effect transistors on wafer-scale epitaxial graphene on SiC substrates

    Wan Sik Hwang

    2015-01-01

    Full Text Available 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.

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

    Julián David Correa

    2017-03-01

    Full Text Available 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 C 60 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.

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

    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.

  19. Topographic and spectroscopic characterization of electronic edge states in CVD grown graphene nanoribbons.

    Pan, Minghu; Girão, E Costa; Jia, Xiaoting; Bhaviripudi, Sreekar; Li, Qing; Kong, Jing; Meunier, V; Dresselhaus, Mildred S

    2012-04-11

    We used scanning tunneling microscopy and spectroscopy (STM/S) techniques to analyze the relationships between the edge shapes and the electronic structures in as-grown chemical vapor deposition (CVD) graphene nanoribbons (GNRs). A rich variety of single-layered graphene nanoribbons exhibiting a width of several to 100 nm and up to 1 μm long were studied. High-resolution STM images highlight highly crystalline nanoribbon structures with well-defined and clean edges. Theoretical calculations indicate clear spin-split edge states induced by electron-electron Coulomb repulsion. The edge defects can significantly modify these edge states, and different edge structures for both sides of a single ribbon produce asymmetric electronic edge states, which reflect the more realistic features of CVD grown GNRs. Three structural models are proposed and analyzed to explain the observations. By comparing the models with an atomic resolution image at the edge, a pristine (2,1) structure was ruled out in favor of a reconstructed edge structure composed of 5-7 member rings, showing a better match with experimental results, and thereby suggesting the possibility of a defective morphology at the edge of CVD grown nanoribbons. © 2012 American Chemical Society

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

    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.

  1. Structural, electronic and magnetic properties of chevron-type graphene, BN and BC{sub 2}N nanoribbons

    Guerra, T.; Azevedo, S. [Departamento de Física/CCEN, Universidade Federal da Paraíba, Caixa Postal 5008, 58051-900 João Pessoa, PB (Brazil); Kaschny, J.R. [Instituto Federal da Bahia-Campus Vitória da Conquista, Caixa Postal 3150, 45075-265 Vitória da Conquista, BA (Brazil)

    2017-04-15

    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 BC{sub 2}N 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. - Highlights: • Small discrepancies between distinct bond lengths can influence the formation energy of the BC{sub 2}N nanoribbons. • The electronic behavior of the BC{sub 2}N chevron-type nanoribbons depends on the atomic arrangement and structural symmetries. • There is a strong correlation between the electronic and magnetic properties for the BC{sub 2}N structures.

  2. CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

    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.

  3. Spin current pumped by a rotating magnetic field in zigzag graphene nanoribbons

    Wang, J; Chan, K S

    2010-01-01

    We study electron spin resonance in zigzag graphene nanoribbons by applying a rotating magnetic field on the system without any bias. By using the nonequilibrium Green's function technique, the spin-resolved pumped current is explicitly derived in a rotating reference frame. The pumped spin current density increases with the system size and the intensity of the transverse rotating magnetic field. For graphene nanoribbons with an even number of zigzag chains, there is a nonzero pumped charge current in addition to the pumped spin current owing to the broken spatial inversion symmetry of the system, but its magnitude is much smaller than the spin current. The short-ranged static disorder from either impurities or defects in the ribbon can depress the spin current greatly due to the localization effect, whereas the long-ranged disorder from charge impurities can avoid inter-valley scattering so that the spin current can survive in the strong disorder for the single-energy mode.

  4. Magnetization and spin-polarized conductance of asymmetrically hydrogenated graphene nanoribbons: significance of sigma bands

    Honda, Syuta; Inuzuka, Kouhei; Inoshita, Takeshi; Ota, Norio; Sano, Nobuyuki

    2014-01-01

    The magnetization and spin transport of asymmetric zigzag-edge graphene nanoribbons, terminated by hydrogen on one edge while unterminated on the other edge, were investigated by a combination of first-principles calculations and a tight-binding approach. At the unterminated edge, a spin-polarized σ edge state of minority spin appears near the Fermi level and contributes to spin transport. This state enters the band gap for ribbon widths of less than 15 chains, dominating the spin-polarized current. This indicates the importance of the σ edge states in the design of spintronic devices using graphene nanoribbons. We also examined the case where the ‘unterminated’ edge is partially terminated by hydrogen. (paper)

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

    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.

  6. Effect of disorder with long-range correlation on transport in graphene nanoribbon

    Zhang, G P; Gao, M; Shangguan, M H; Zhang, Y Y; Liu, N; Qin, Z J

    2012-01-01

    Transport in disordered armchair graphene nanoribbons (AGR) with long-range correlation between quantum wire contacts is investigated by a transfer matrix combined with Landauer’s formula. The metal-insulator transition is induced by disorder in neutral AGR. Therein, the conductance is one conductance quantum for the metallic phase and exponentially decays otherwise, when the length of AGR approaches infinity and far longer than its width. Similar to the case of long-range disorder, the conductance of neutral AGR first increases and then decreases while the conductance of doped AGR monotonically decreases, as the disorder strength increases. In the presence of strong disorder, the conductivity depends monotonically and non-monotonically on the aspect ratio for heavily doped and slightly doped AGR, respectively. For edge disordered graphene nanoribbon, the conductance increases with the disorder strength of long-range correlated disordered while no delocalization exists, since the edge disorder induces localization. (paper)

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

    Culchac, F J; Capaz, Rodrigo B

    2016-01-01

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

  8. Theoretical investigation of performance of armchair graphene nanoribbon field effect transistors

    Hur, Ji-Hyun; Kim, Deok-Kee

    2018-05-01

    In this paper, we theoretically investigate the highest possible expected performance for graphene nanoribbon field effect transistors (GNRFETs) for a wide range of operation voltages and device structure parameters, such as the width of the graphene nanoribbon and gate length. We formulated a self-consistent, non-equilibrium Green’s function method in conjunction with the Poisson equation and modeled the operation of nanometer sized GNRFETs, of which GNR channels have finite bandgaps so that the GNRFET can operate as a switch. We propose a metric for competing with the current silicon CMOS high performance or low power devices and explain that this can vary greatly depending on the GNRFET structure parameters.

  9. Rectification induced in N2AA-doped armchair graphene nanoribbon device

    Chen, Tong; Wang, Ling-Ling; Luo, Kai-Wu; Xu, Liang; Li, Xiao-Fei

    2014-01-01

    By using non-equilibrium Green function formalism in combination with density functional theory, we investigated the electronic transport properties of armchair graphene nanoribbon devices in which one lead is undoped and the other is N 2 AA -doped with two quasi-adjacent substitutional nitrogen atoms incorporating pairs of neighboring carbon atoms in the same sublattice A. Two kinds of N 2 AA -doped style are considered, for N dopants substitute the center or the edge carbon atoms. Our results show that the rectification behavior with a large rectifying ratio can be found in these devices and the rectifying characteristics can be modulated by changing the width of graphene nanoribbons or the position of the N 2 AA dopant. The mechanisms are revealed to explain the rectifying behaviors.

  10. Potential spin-polarized transport in gold-doped armchair graphene nanoribbons

    Srivastava, Pankaj, E-mail: pankajs@iiitm.ac.in [Nanomaterials Research Group, ABV-Indian Institute of Information Technology and Management (IIITM), Gwalior 474015, MP (India); Dhar, Subhra [Nanomaterials Research Group, ABV-Indian Institute of Information Technology and Management (IIITM), Gwalior 474015, MP (India); Jaiswal, Neeraj K. [Discipline of Physics, PDPM-Indian Institute of Information Technology, Design and Manufacturing (IIITDM), Jabalpur 482005 (India)

    2015-04-17

    Based on NEGF-DFT computations, systematic investigation of electronic, magnetic and transport properties of AGNRs are done by employing Au through different doping mechanisms. Remarkable Au–AGNR bonding is observed in case of substitution due to the presence of impurity at the edges. Both substitution and adsorption of Au on AGNR surface induce significant changes in the electronic spin transport of the sp{sup 2} hybridized carbon sheets. AGNRs are semiconducting with lower total energy for the FM configuration, and the I–V characteristics reveal semiconductor to metal transition of Au-doped AGNR. The spin injection is voltage controlled in all the investigated Au-doped AGNRs. - Highlights: • Edge Au-substitution promotes semiconductor–metal transition in AGNR. • NDR due to bias-dependent transmission in Au-substituted AGNRs. • Voltage controlled spin injection in all investigated Au-doped AGNRs. • Strong spin polarization occurs at 0.5 V in Au-hole adsorbed AGNRs.

  11. Spin echo dynamics under an applied drift field in graphene nanoribbon superlattices

    Prabhakar, Sanjay, E-mail: sprabhakar@wlu.ca [M 2NeT Laboratory, Wilfrid Laurier University, 75 University Avenue West, Waterloo, Ontario N2L 3C5 (Canada); Melnik, Roderick [M 2NeT Laboratory, Wilfrid Laurier University, 75 University Avenue West, Waterloo, Ontario N2L 3C5 (Canada); Gregorio Millan Institute, Universidad Carlos III de Madrid, 28911 Leganes (Spain); Bonilla, Luis L. [Gregorio Millan Institute, Universidad Carlos III de Madrid, 28911 Leganes (Spain); Raynolds, James E. [Drinker Biddle and Reath LLP, Washington, DC 20005 (United States)

    2013-12-02

    We investigate the evolution of spin dynamics in graphene nanoribbon superlattices (GNSLs) with armchair and zigzag edges in the presence of a drift field. We determine the exact evolution operator and show that it exhibits spin echo phenomena due to rapid oscillations of the quantum states along the ribbon. The evolution of the spin polarization is accompanied by strong beating patterns. We also provide detailed analysis of the band structure of GNSLs with armchair and zigzag edges.

  12. Spin echo dynamics under an applied drift field in graphene nanoribbon superlattices

    Prabhakar, Sanjay; Melnik, Roderick; Bonilla, Luis L.; Raynolds, James E.

    2013-01-01

    We investigate the evolution of spin dynamics in graphene nanoribbon superlattices (GNSLs) with armchair and zigzag edges in the presence of a drift field. We determine the exact evolution operator and show that it exhibits spin echo phenomena due to rapid oscillations of the quantum states along the ribbon. The evolution of the spin polarization is accompanied by strong beating patterns. We also provide detailed analysis of the band structure of GNSLs with armchair and zigzag edges

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

    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.

  14. Molecular dynamics simulation of square graphene-nanoflake oscillator on graphene nanoribbon.

    Kang, Jeong Won; Lee, Kang Whan

    2014-12-01

    Graphene nanoflakes (GNFs) have been of interest for a building block in order to develop electromechanical devices on a nanometer scale. Here, we present the oscillation motions of a square GNF oscillator on graphene nanoribbon (GNR) in the retracting-motions by performing classical molecular dynamics simulations. The simulation results showed that the GNF oscillators can be considered as a building block for nanoelectromechanical systems such as carbon-nanotube (CNT) oscillators. The oscillation dynamics of the GNF oscillator were similar to those of the CNT oscillators. When the square GNF had an initial velocity as impulse dynamics, its oscillation motions on the GNR were achieved from its self-retracting van der Waals force. For low initial velocity, its translational motions were dominant in its motions rather than its rotational motions. The kinetic energy damping ratio rapidly decreased as initial velocity increased and the kinetic energy for the translational motion of the GNF oscillator rapidly transferred into that for its rotational motion. The oscillation frequency of the GNF oscillator was dependent on its initial velocity.

  15. Current & Heat Transport in Graphene Nanoribbons: Role of Non-Equilibrium Phonons

    Pennington, Gary; Finkenstadt, Daniel

    2010-03-01

    The conducting channel of a graphitic nanoscale device is expected to experience a larger degree of thermal isolation when compared to traditional inversion channels of electronic devices. This leads to enhanced non-equilibrium phonon populations which are likely to adversely affect the mobility of graphene-based nanoribbons due to enhanced phonon scattering. Recent reports indicating the importance of carrier scattering with substrate surface polar optical phonons in carbon nanotubes^1 and graphene^2,3 show that this mechanism may allow enhanced heat removal from the nanoribbon channel. To investigate the effects of hot phonon populations on current and heat conduction, we solve the graphene nanoribbon multiband Boltzmann transport equation. Monte Carlo transport techniques are used since phonon populations may be tracked and updated temporally.^4 The electronic structure is solved using the NRL Tight-Binding method,^5 where carriers are scattered by confined acoustic, optical, edge and substrate polar optical phonons. [1] S. V. Rotkin et al., Nano Lett. 9, 1850 (2009). [2] J. H. Chen, C. Jang, S. Xiao, M. Ishigami and M. S. Fuhrer, Nature Nanotech. 3, 206 (2008). [3] V. Perebeinos and P. Avouris, arXiv:0910.4665v1 [cond-mat.mes-hall] (2009). [4] P. Lugli et al., Appl. Phys. Lett. 50, 1251 (1987). [5] D. Finkenstadt, G. Pennington & M.J. Mehl, Phys. Rev. B 76, 121405(R) (2007).

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

    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.

  17. Electronic properties of phosphorene and graphene nanoribbons with edge vacancies in magnetic field

    Smotlacha, J.; Pincak, R.

    2018-03-01

    The graphene and phosphorene nanostructures have a big potential application in a large area of today's research in physics. However, their methods of synthesis still don't allow the production of perfect materials with an intact molecular structure. In this paper, the occurrence of atomic vacancies was considered in the edge structure of the zigzag phosphorene and graphene nanoribbons. For different concentrations of these edge vacancies, their influence on the metallic properties was investigated. The calculations were performed for different sizes of the unit cell. Furthermore, for a smaller size, the influence of a uniform magnetic field was added.

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

    Cheng, Yingchun; Schwingenschlö gl, Udo; Zhu, Zhiyong

    2012-01-01

    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.

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

    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.

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

    Koop, Cornelie; Wessel, Stefan

    2017-10-01

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

  1. 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.

    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.

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

    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.

  3. In situ immobilized, magnetite nanoplatelets over holey graphene nanoribbons for high performance solid state supercapacitor

    Lalwani, Shubra; Sahu, Vikrant; Marichi, Ram Bhagat; Singh, Gurmeet; Sharma, Raj Kishore

    2017-01-01

    Highlights: • Hexagonal platelet morphology of magnetite offers efficient material utilization. • Enhanced electronic conductivity of Fe 3 O 4 /GNR nanocomposites via GNR-GNR network. • Exploring the best optimized 30 wt. (%) Fe 3 O 4 on GNR as solid state supercapacitor. - ABSTRACT: Among major phases of iron oxide, magnetite (Fe 3 O 4 ) is potential candidate for pseudocapacitors. Yet, the clustering of magnetite nanoparticles confines them from being exploited as charge storage material. Herein, magnetite hexagonal nanoplatelets are synthesized on holey graphene nanoribbons (GNRs) by hydrothermal route and tested for charge storage performance in solid-state supercapacitor incorporating gel electrolyte (PVA-H 2 SO 4 ). GNR besides providing large surface for adsorption of magnetite platelets also improved the charge collection ability of nanocomposite through interconnected nanoribbon network. Mass loading over GNR is optimized to a maximum of 30 wt. (%) by ensuring mono dispersion of magnetite nanoplatelets and high conductivity (14.0 S m −1 ) of nanocomposite. Above 50 wt. (%) magnetite loading, structural identity of nanoribbon is tempered and as a consequence increased network resistivity depletion in charge storage capacity is observed. Mass loading of magnetite over nanoribbon showed an inverse relationship with ion diffusion and electronic conduction. Balanced ionic and electronic conduction in 30 wt. (%) magnetite loaded nanoribbon results in a supercapacitor cell delivering 1241.5 W kg −1 while maintaining 26.9 Wh kg −1 energy density. About 95% capacitance retention over 3000 charge discharge cycles at 2.3 A g −1 demonstrate magnetite as a high performance supercapacitor electrode.

  4. Adsorption of CO2 on Fe-doped graphene nano-ribbons: Investigation of transport properties

    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.

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

    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.

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

    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.

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

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

    2017-12-01

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

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

    Souma, Satofumi; Ogawa, Matsuto

    2014-01-01

    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

  9. Lifted graphene nanoribbons on gold: from smooth sliding to multiple stick-slip regimes

    Gigli, Lorenzo; Manini, Nicola; Tosatti, Erio; Guerra, Roberto; Vanossi, Andrea

    2018-01-01

    Graphene nanoribbons (GNRs) physisorbed on a Au(111) surface can be picked up, lifted at one end, and made slide by means of the tip of an atomic-force microscope. The dynamical transition from smooth sliding to multiple stick-slip regimes, the pushing/pulling force asymmetry, the presence of pinning, and its origin are real frictional processes in a nutshell, in need of a theoretical description. To this purpose, we conduct classical simulations of frictional manipulations for GNRs up to 30 ...

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

    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.

  11. Realistic-contact-induced enhancement of rectifying in carbon-nanotube/graphene-nanoribbon junctions

    Zhang, Xiang-Hua; Li, Xiao-Fei; Wang, Ling-Ling; Xu, Liang; Luo, Kai-Wu

    2014-01-01

    Carbon-nanotube/graphene-nanoribbon junctions were recently fabricated by the controllable etching of single-walled carbon-nanotubes [Wei et al., Nat. Commun. 4, 1374 (2013)] and their electronic transport properties were studied here. First principles results reveal that the transmission function of the junctions show a heavy dependence on the shape of contacts, but rectifying is an inherent property which is insensitive to the details of contacts. Interestingly, the rectifying ratio is largely enhanced in the junction with a realistic contact and the enhancement is insensitive to the details of contact structures. The stability of rectifying suggests a significant feasibility to manufacture realistic all-carbon rectifiers in nanoelectronics

  12. Phonon scattering and thermal conductance properties in two coupled graphene nanoribbons modulated with bridge atoms

    Tan, Shi-Hua; Tang, Li-Ming; Chen, Ke-Qiu

    2014-01-01

    The phonon scattering and thermal conductance properties have been studied in two coupled graphene nanoribbons connected by different bridge atoms by using density functional theory in combination with non-equilibrium Green's function approach. The results show that a wide range of thermal conductance tuning can be realized by changing the chemical bond strength and atom mass of the bridge atoms. It is found that the chemical bond strength (bridge atom mass) plays the main role in phonon scattering at low (high) temperature. A simple equation is presented to describe the relationship among the thermal conductance, bridge atom, and temperature.

  13. Nanocomposite of polyaniline nanorods grown on graphene nanoribbons for highly capacitive pseudocapacitors.

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

    2013-07-24

    A facile and cost-effective approach to the fabrication of a nanocomposite material of polyaniline (PANI) and graphene nanoribbons (GNRs) has been developed. The morphology of the composite was characterized by scanning electron microscopy, transmission electron microscopy, X-ray photoelectron microscopy, and X-ray diffraction analysis. The resulting composite has a high specific capacitance of 340 F/g and stable cycling performance with 90% capacitance retention over 4200 cycles. The high performance of the composite results from the synergistic combination of electrically conductive GNRs and highly capacitive PANI. The method developed here is practical for large-scale development of pseudocapacitor electrodes for energy storage.

  14. The role of defects and doping in 2D graphene sheets and 1D nanoribbons.

    Terrones, Humberto; Lv, Ruitao; Terrones, Mauricio; Dresselhaus, Mildred S

    2012-06-01

    Defects are usually seen as imperfections in materials that could significantly degrade their performance. However, at the nanoscale, defects could be extremely useful since they could be exploited to generate novel, innovative and useful materials and devices. Graphene and graphene nanoribbons are no exception. This review therefore tries to categorize defects, emphasize their importance, introduce the common routes to study and identify them and to propose new ways to construct novel devices based on 'defective' graphene-like materials. In particular, we will discuss defects in graphene-like systems including (a) structural (sp(2)-like) defects, (b) topological (sp(2)-like) defects, (c) doping or functionalization (sp(2)- and sp(3)-like) defects and (d) vacancies/edge type defects (non-sp(2)-like). It will be demonstrated that defects play a key role in graphene physicochemical properties and could even be critical to generate biocompatible materials. There are numerous challenges in this emerging field, and we intend to provide a stimulating account which could trigger new science and technological developments based on defective graphene-like materials that could be introduced into other atomic layered materials, such as BN, MoS(2) and WS(2), not discussed in this review.

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

    Bilić, A; Sanvito, S

    2013-07-10

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

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

    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.

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

    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.

  18. Quasi-free-standing bilayer graphene nanoribbons probed by electronic transport

    Miccoli, Ilio; Aprojanz, Johannes; Baringhaus, Jens; Lichtenstein, Timo; Galves, Lauren A.; Lopes, Joao Marcelo J.; Tegenkamp, Christoph

    2017-01-01

    Direct growth of graphene nanostructures by using concepts of self-assembly and intercalation without further lithography and transfer processes is beneficial for their integration into device applications. In this letter, we report on bilayer graphene nanoribbons, typically 100 nm in width, grown along step edges of SiC(0001) substrates. The ribbons are electrically decoupled from the substrate by an oxygen treatment. By means of a 4-tip STM system, the microscopic structure and transport properties were comprehensively studied. The ribbons reveal a robust hole concentration of around 1 × 1013 cm-2 and mobilities up to 700 cm2/Vs at room temperature. The comparably high mobilities are a consequence of interlayer hopping of the charge carriers. The transport is not limited by the step roughness; thus, this scalable process can be easily extended to arbitrarily shaped structures.

  19. Understanding and tuning the quantum-confinement effect and edge magnetism in zigzag graphene nanoribbon.

    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.

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

    Karamitaheri, Hossein [Department of Electrical Engineering, University of Kashan, Kashan 87317-53153 (Iran, Islamic Republic of); Neophytou, Neophytos, E-mail: N.Neophytou@warwick.ac.uk [School of Engineering, University of Warwick, Coventry CV4 7AL (United Kingdom)

    2016-08-08

    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 W{sup β}. Although in the case of electronic transport, this dependency is very well studied, resulting in W{sup 6} for nanowires and quantum wells and W{sup 4} 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 < 1 for semi-ballistic phonon transport, values β ≫ 1 for sub-diffusive or localized phonons, and β = 1 only in the case where the transport is diffusive. The overall W{sup β} 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.

  1. Raman spectroscopy of lithographically defined graphene nanoribbons - influence of size and defects

    Kampmann, Felix; Scheuschner, Nils [Institut fuer Festkoerperphysik, Technical University Berlin (Germany); Terres, Bernat; Stampfer, Christoph [JARA-FIT and 2nd Institute of Physics, RWTH Aachen University (Germany); Peter Gruenberg Institute (PGI), Forschungszentrum Juelich (Germany); Joerger, Danny [JARA-FIT and 2nd Institute of Physics, RWTH Aachen University (Germany); Maultzsch, Janina [Institut fuer Festkoerperphysik, Technical University Berlin (Germany); Lehrstuhl fuer Experimentalphysik, Department Physik, Friedrich-Alexander-Universitaet Erlangen-Nuernberg, Erlangen (Germany)

    2017-11-15

    Graphene nanostructures are an important building block to make use of the properties of graphene for applications in integrated devices. It is important to study edge roughness and defects in such nanostructures for further device improvement as they become important when downscaling structures. Recent Raman studies focused mainly on the D mode to characterize the defects in graphene and graphene nanoribbons (GNR) whereas not much attention has been paid to the D' mode that is smaller in Raman intensity. In this work we show by comparison with AFM measurements of the GNR width that both defect-induced Raman modes have different scattering length scales. Furthermore the size and quality of lithographically defined GNRs can be estimated by a close analysis of the defect-induced Raman modes and the width of the well-studied 2D mode of graphene. The findings are explained by the different vibration pattern for both Raman modes and the differences in the matrix elements determining the Raman intensity, i.e. the electron-phonon coupling and the phonon density of states. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Raman spectroscopy of lithographically defined graphene nanoribbons - influence of size and defects

    Kampmann, Felix; Scheuschner, Nils; Terres, Bernat; Stampfer, Christoph; Joerger, Danny; Maultzsch, Janina

    2017-01-01

    Graphene nanostructures are an important building block to make use of the properties of graphene for applications in integrated devices. It is important to study edge roughness and defects in such nanostructures for further device improvement as they become important when downscaling structures. Recent Raman studies focused mainly on the D mode to characterize the defects in graphene and graphene nanoribbons (GNR) whereas not much attention has been paid to the D' mode that is smaller in Raman intensity. In this work we show by comparison with AFM measurements of the GNR width that both defect-induced Raman modes have different scattering length scales. Furthermore the size and quality of lithographically defined GNRs can be estimated by a close analysis of the defect-induced Raman modes and the width of the well-studied 2D mode of graphene. The findings are explained by the different vibration pattern for both Raman modes and the differences in the matrix elements determining the Raman intensity, i.e. the electron-phonon coupling and the phonon density of states. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Chemical Makeup and Hydrophilic Behavior of Graphene Oxide Nanoribbons after Low-Temperature Fluorination.

    Romero Aburto, Rebeca; Alemany, Lawrence B; Weldeghiorghis, Thomas K; Ozden, Sehmus; Peng, Zhiwei; Lherbier, Aurélien; Botello Méndez, Andrés Rafael; Tiwary, Chandra Sekhar; Taha-Tijerina, Jaime; Yan, Zheng; Tabata, Mika; Charlier, Jean-Christophe; Tour, James M; Ajayan, Pulickel M

    2015-07-28

    Here we investigated the fluorination of graphene oxide nanoribbons (GONRs) using H2 and F2 gases at low temperature, below 200 °C, with the purpose of elucidating their structure and predicting a fluorination mechanism. The importance of this study is the understanding of how fluorine functional groups are incorporated in complex structures, such as GONRs, as a function of temperature. The insight provided herein can potentially help engineer application-oriented materials for several research and industrial sectors. Direct (13)C pulse magic angle spinning (MAS) nuclear magnetic resonance (NMR) confirmed the presence of epoxy, hydroxyl, ester and ketone carbonyl, tertiary alkyl fluorides, as well as graphitic sp(2)-hybridized carbon. Moreover, (19)F-(13)C cross-polarization MAS NMR with (1)H and (19)F decoupling confirmed the presence of secondary alkyl fluoride (CF2) groups in the fluorinated graphene oxide nanoribbon (FGONR) structures fluorinated above 50 °C. First-principles density functional theory calculations gained insight into the atomic arrangement of the most dominant chemical groups. The fluorinated GONRs present atomic fluorine percentages in the range of 6-35. Interestingly, the FGONRs synthesized up to 100 °C, with 6-19% of atomic fluorine, exhibit colloidal similar stability in aqueous environments when compared to GONRs. This colloidal stability is important because it is not common for materials with up to 19% fluorine to have a high degree of hydrophilicity.

  4. Molecular dynamics simulation on double-elastic deformation of zigzag graphene nanoribbons at low temperature

    Sun, Y.J.; Huang, Y.H.; Ma, F.; Ma, D.Y.; Hu, T.W.; Xu, K.W.

    2014-01-01

    Highlights: • Molecular dynamics simulation was performed to study the deformation behaviors of Zigzag Graphene Nano-Ribbons (ZGNRs). • The “phase transformation” from hexagonal to quasi-rectangular and the subsequent second elastic deformation were observed. • Related thermal effects model was built to predict fracture strain of ZGNRs, and was consistent with simulation results. -- Abstract: Molecular dynamics simulation was performed to study the deformation behaviors of Zigzag Graphene Nano-Ribbons (ZGNRs) 150 Å × 150 Å in size, and double-elastic deformation was observed at temperatures lower than 90 K. Essentially, at such a low temperature, the lattice vibration was significantly weakened and thus the lifetime of C-C bonds was prolonged considerably. Moreover, it was difficult for broken bonds to accumulate and resulted in the destructive fracture of ZGNRs at low temperature. As a result, the “phase transformation” from hexagonal to quasi-rectangular and subsequently the second elastic deformation took place. However, at higher temperatures, says, 300 K, brittle fracture was observed and the fracture strength decreased with temperature, which was consistent with previously reported results. Additionally at higher strain rate, the atoms could not respond to the external loading in time, the fracture strain and fracture strength were enhanced

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

    Liu, Xiaoshi; Wu, Yong [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Shanghai Key Lab of Modern Optical System, Shanghai 200093 (China); Li, Zhongyao, E-mail: lizyusst@gmail.com [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Shanghai Key Lab of Modern Optical System, Shanghai 200093 (China); Gao, Yong [School of Science, Shanghai Second Polytechnic University, Shanghai 201209 (China)

    2017-04-01

    Highlights: • The gap of isolated ribbon is inversely proportional to the width of ribbon. • The gap of doped ribbon cannot be modeled by effective width approximation. • The fitted energy gap can match the experimental observations. • The doping results in a spin-polarized metallic-like band structure. - Abstract: 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.

  6. Inducing half-metallicity with enhanced stability in zigzag graphene nanoribbons via fluorine passivation

    Jaiswal, Neeraj K., E-mail: neerajkjaiswal@gmail.com [Discipline of Physics, Indian Institute of Information Technology Design & Manufacturing, Jabalpur 482005 (India); Tyagi, Neha [Department of Applied Physics, Delhi Technological University, Delhi 110042 (India); Kumar, Amit [Discipline of Physics, Indian Institute of Information Technology Design & Manufacturing, Jabalpur 482005 (India); Srivastava, Pankaj [Nanomaterials Research Group, ABV-Indian Institute of Information Technology & Management, Gwalior 474015 (India)

    2017-02-28

    Highlights: • F passivated zigzag graphene nanoribbon (F-ZGNR) are more favorable than pristine ones. • External electric field induces half metallicity in F-ZGNR. • The observed half metallicity is independent of ribbon widths. • Enhanced stability makes F-ZGNR preferable over pristine ribbon. - Abstract: 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.

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

    Kiraly, Brian; Mannix, Andrew J. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439 (United States); Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208 (United States); Jacobberger, Robert M.; Arnold, Michael S. [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Fisher, Brandon L.; Guisinger, Nathan P., E-mail: nguisinger@anl.gov, E-mail: m-hersam@northwestern.edu [Center for Nanoscale Materials, Argonne National Laboratory, 9700 South Cass Avenue, Building 440, Argonne, Illinois 60439 (United States); Hersam, Mark C., E-mail: nguisinger@anl.gov, E-mail: m-hersam@northwestern.edu [Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208 (United States); Department of Chemistry, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208 (United States)

    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 GNR 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, the growth of GNRs on Ge(001) is extended to ultra-high vacuum conditions, resulting in the realization of GNRs with widths narrower than 5 nm. Armchair graphene nanoribbons oriented along Ge 〈110〉 surface directions are achieved with excellent width control and relatively large bandgaps. The bandgap magnitude and electronic uniformity of these sub-5 nm GNRs are well-suited for emerging nanoelectronic applications.

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

    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.

  9. Thermal spin filtering effect and giant magnetoresistance of half-metallic graphene nanoribbon co-doped with non-metallic Nitrogen and Boron

    Huang, Hai; Zheng, Anmin; Gao, Guoying; Yao, Kailun

    2018-03-01

    Ab initio calculations based on density functional theory and non-equilibrium Green's function are performed to investigate the thermal spin transport properties of single-hydrogen-saturated zigzag graphene nanoribbon co-doped with non-metallic Nitrogen and Boron in parallel and anti-parallel spin configurations. The results show that the doped graphene nanoribbon is a full half-metal. The two-probe system based on the doped graphene nanoribbon exhibits various excellent spin transport properties, including the spin-filtering effect, the spin Seebeck effect, the single-spin negative differential thermal resistance effect and the sign-reversible giant magnetoresistance feature. Excellently, the spin-filtering efficiency can reach nearly 100% in the parallel configuration and the magnetoresistance ratio can be up to -1.5 × 1010% by modulating the electrode temperature and temperature gradient. Our findings indicate that the metal-free doped graphene nanoribbon would be a promising candidate for spin caloritronic applications.

  10. Facile longitudinal unzipping of carbon nanotubes to graphene nanoribbons and their effects on LiMn2O4 cathodes in rechargeable lithium-ion batteries

    Ilango, P. Robert; Prasanna, K.; Subburaj, T.; Jo, Yong Nam; Lee, Chang Woo

    2015-01-01

    Highlights: • The graphene nanoribbons are successfully synthesized by chemical unzipping method. • The LiMn 2 O 4 is surface modified with graphene nanoribbons via ultrasonic-assisted wet-coating. • The electrochemical effects of graphene nanoribbons on LiMn 2 O 4 are studied. • The modified LiMn 2 O 4 shows the good electronic conductivity and improved capacity. - Abstract: A LiMn 2 O 4 cathode has been surface-modified with carbon nanotubes and graphene nanoribbons via an ultrasonic-assisted wet-coating method. The structural stability of the surface-modified LiMn 2 O 4 and the amorphous nature of the coated carbon materials are confirmed using X-ray diffraction (XRD). Field emission scanning electron microscopy (FE-SEM) reveals the strong and uniform distribution of graphene nanoribbons over the LiMn 2 O 4 in comparison to the carbon nanotubes-coated LiMn 2 O 4 . Furthermore, field emission transmission electron microscopy (FE-TEM) confirms the strong adhesion of a smooth, sheet-like graphene nanoribbons layer over the LiMn 2 O 4 surface, whereas the carbon nanotubes are observed to have weak and/or irregular contact with LiMn 2 O 4 . Electrochemical studies have been carried out by electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and a galvanostatic cycler. The graphene nanoribbons-modified LiMn 2 O 4 cathode shows better electrochemical properties in terms of a suppressed charge transfer resistance, high current density, negative shift in polarization, longer calendar life, and high rate capabilities. In addition, the graphene nanoribbons-modified LiMn 2 O 4 delivered 90% of the retention capacity after 50 cycles at a rate of 1 C with the potential limits of 3.0–4.5 V vs. Li/Li + .

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

    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.

  12. Effect of uniaxial strain on the tunnel magnetoresistance of T-shaped graphene nanoribbon based spin-valve

    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.

  13. Simulations of Propane and Butane Gas Sensor Based on Pristine Armchair Graphene Nanoribbon

    Rashid, Haroon; Koel, Ants; Rang, Toomas

    2018-05-01

    Over the last decade graphene and its derivatives have gained a remarkable place in research field. As silicon technology is approaching to its geometrical limits so there is a need of alternate that can replace it. Graphene has emerged as a potential candidate for future nano-electronics applications due to its exceptional and extraordinary chemical, optical, electrical and mechanical properties. Graphene based sensors have gained significance for a wide range of sensing applications like detection of biomolecules, chemicals and gas molecules. It can be easily used to make electrical contacts and manipulate them according to the requirements as compared to the other nanomaterials. The intention of the work presented in this article is to contribute in this field by simulating a novel and cheap graphene nanoribbon sensor for the household gas leakage detection. QuantumWise Atomistix (ATK) software is used for the simulations of propane and butane gas sensor. Projected device density of the states (PDDOS) and the transmission spectrum of the device in the proximity of gas molecules are calculated and discussed. The change in the electric current through the device in the presence of the gas molecules is used as a gas detection mechanism for the simulated sensor.

  14. Defect-based graphene nanoribbon photodetectors: A numerical study

    Zarei, M. H.; Sharifi, M. J., E-mail: m-j-sharifi@sbu.ac.ir [Department of Electrical Engineering, Shahid Beheshti University, Tehran 1983963113 (Iran, Islamic Republic of)

    2016-06-07

    Recently, some photodetectors based on graphene have been proposed. In all of these works, current generation was carried out by separation of photo-excited carriers using an electric field, either internal or external. In this work, a new method of producing current which is based on different transmission coefficients for electrons and holes when they travel toward any of the two contacts is proposed. To this end, a single Stone–Wales defect close to one of the two contacts was used to break the channel symmetry. In order to confirm the idea, the non-equilibrium Green's function formalism in real space in conjunction with the tight binding method was used in simulations. In addition, to clarify the results, we present a classical model in which different diffusion constants are assumed for the left going and the right going carriers. Additional simulations for different positions of the defect, different lengths of the ribbon, and different bias voltages were performed, and the results are included in this study.

  15. Time Domain Analysis of Graphene Nanoribbon Interconnects Based on Transmission Line ‎Model

    S. Haji Nasiri

    2012-03-01

    Full Text Available Time domain analysis of multilayer graphene nanoribbon (MLGNR interconnects, based on ‎transmission line modeling (TLM using a six-order linear parametric expression, has been ‎presented for the first time. We have studied the effects of interconnect geometry along with ‎its contact resistance on its step response and Nyquist stability. It is shown that by increasing ‎interconnects dimensions their propagation delays are increased and accordingly the system ‎becomes relatively more stable. In addition, we have compared time responses and Nyquist ‎stabilities of MLGNR and SWCNT bundle interconnects, with the same external dimensions. ‎The results show that under the same conditions, the propagation delays for MLGNR ‎interconnects are smaller than those of SWCNT bundle interconnects are. Hence, SWCNT ‎bundle interconnects are relatively more stable than their MLGNR rivals.‎

  16. Tailoring atomic structure to control the electronic transport in zigzag graphene nanoribbon

    Zeng, Hui; Zhao, Jun; Wei, Jianwei; Zeng, Xianliang; Xu, Yang

    2012-01-01

    We have performed ab initio density functional theory calculation to study the electronic transport properties of the tailored zigzag-edged graphene nanoribbon (ZGNR) with particular electronic transport channels. Our results demonstrated that tailoring the atomic structure had significantly influenced the electronic transport of the defective nanostructures, and could lead to the metal-semiconducting transition when sufficient atoms are tailored. The asymmetric I–V characteristics as a result of symmetry breaking have been exhibited, which indicates the route to utilize GNR as a basic component for novel nanoelectronics. -- Highlights: ► M–S transition induced by tailoring nanostructure. ► Asymmetric I–V curve due to symmetry breaking. ► Controllable electron transport by designing nanofiguration.

  17. Role of nitrogen distribution in asymmetric stone-wales defects on electronic transport of graphene nanoribbons

    Zeng, Hui; Zhao, Jun; Xu, Dahai [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China)

    2012-01-15

    The authors performed first principles calculation to investigate the influences of nitrogen dopant distribution in the asymmetric Stone-Wales (SW) defect on the electronic transport of zigzag-edged graphene nanoribbon (ZGNR). The stability of doped configurations are evaluated in terms of total energies. It is found that the dopant placed near the edge of the ribbon is the most energetically favorable site. Our results reveal that the doped nanostructures can be substantially modulated as a result of modifications on electronic bands induced by substitutional dopant. Moreover, the individual dopant gives rise to one or two complete electron backscattering centers associated with impurity states in the doped configurations, and the location is determined by the dopant site. Schematics of the atomic structure after asymmetric Stone-Wales defects introduced and different nitrogen substitutional sites. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Tailoring atomic structure to control the electronic transport in zigzag graphene nanoribbon

    Zeng, Hui [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zhao, Jun, E-mail: zhaojun@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Zeng, Xianliang [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Xu, Yang [Department of Information Science and Electronic Engineering, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

    2012-10-01

    We have performed ab initio density functional theory calculation to study the electronic transport properties of the tailored zigzag-edged graphene nanoribbon (ZGNR) with particular electronic transport channels. Our results demonstrated that tailoring the atomic structure had significantly influenced the electronic transport of the defective nanostructures, and could lead to the metal-semiconducting transition when sufficient atoms are tailored. The asymmetric I–V characteristics as a result of symmetry breaking have been exhibited, which indicates the route to utilize GNR as a basic component for novel nanoelectronics. -- Highlights: ► M–S transition induced by tailoring nanostructure. ► Asymmetric I–V curve due to symmetry breaking. ► Controllable electron transport by designing nanofiguration.

  19. A computational study of a novel graphene nanoribbon field effect transistor

    Ghoreishi, Seyed Saleh; Yousefi, Reza

    2017-04-01

    In this paper, using gate structure engineering and modification of channel dopant profile, we propose a new double gate graphene nanoribbon field effect transistor (DG-GNRFET) mainly to suppress the band-to-band tunneling (BTBT) of carriers. In the new device, the intrinsic part of the channel is replaced by an intrinsic-lightly doped-intrinsic (I -N--I) configuration in a way that only the intrinsic parts are covered by the gate contact. Transport characteristics of the device are investigated theoretically using the nonequilibrium Green’s function (NEGF) formalism. Numerical simulations show that off-current, ambipolar behavior, on/off-current ratio and the switching characteristics such as intrinsic delay and power-delay product are improved. In addition, the new device demonstrates better sub-threshold swing and less drain-induced barrier lowering (DIBL).

  20. Conductance oscillation in graphene-nanoribbon-based electronic Fabry-Perot resonators

    Zhang Yong; Han Mei; Shen Linjiang

    2010-01-01

    By using the tight-binding approximation and the Green's function method, the quantum conductance of the Fabry-Perot-like electronic resonators composed of zigzag and metallic armchair edge graphene nanoribbons (GNRs) was studied numerically. Obtained results show that due to Fabry-Perot-like electronic interference, the conductance of the GNR resonators oscillates periodically with the Fermi energy. The effects of disorders and coupling between the electrodes and the GNR on conductance oscillations were explored. It is found that the conductance oscillations appear at the strong coupling and become resonant peaks as the coupling is very weak. It is also found that the strong disorders in the GNR can smear the conductance oscillation periods. In other words, the weak coupling and the strong disorders all can blur the conductance oscillations, making them unclearly distinguished.

  1. Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains

    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.

  2. Conductance growth in metallic bilayer graphene nanoribbons with disorder and contact scattering

    Xu, N; Ding, J W

    2008-01-01

    By using a decomposition elimination method for Green's function matrix, we explore the effects of both disorder and contact scattering on electronic transport in metallic bilayer graphene nanoribbons (BGNRs) and related structures, in the limit of phase-coherent transport. Due to the inter-layer interaction, a conductance gap is observed at Fermi energy in primary metallic zigzag BGNRs. It is found that the fashion of the conductance variations with disorder depends strongly on the type of disorder and contact scattering. In the edge disordered BGNR, the conductance decreases monotonically with the disorder increasing and finally tends to disappear, while a nonmonotonic behavior is obtained in the single-layer disordered BGNR, first decreasing then increasing. In the presence of contact scattering, especially, an abnormal growth of the conductance appears at much lower disorder in both edge and single-layer disordered BGNRs, which may be due to the destruction of coherence by the introduction of disorder.

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

    Li, Kuanhong; Zhang, Xiang-Hua

    2018-05-01

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

  4. Optical properties of graphene nanoribbons encapsulated in single-walled carbon nanotubes.

    Chernov, Alexander I; Fedotov, Pavel V; Talyzin, Alexandr V; Suarez Lopez, Inma; Anoshkin, Ilya V; Nasibulin, Albert G; Kauppinen, Esko I; Obraztsova, Elena D

    2013-07-23

    We report the photoluminescence (PL) from graphene nanoribbons (GNRs) encapsulated in single-walled carbon nanotubes (SWCNTs). New PL spectral features originating from GNRs have been detected in the visible spectral range. PL peaks from GNRs have resonant character, and their positions depend on the ribbon geometrical structure in accordance with the theoretical predictions. GNRs were synthesized using confined polymerization and fusion of coronene molecules. GNR@SWCNTs material demonstrates a bright photoluminescence both in infrared (IR) and visible regions. The photoluminescence excitation mapping in the near-IR spectral range has revealed the geometry-dependent shifts of the SWCNT peaks (up to 11 meV in excitation and emission) after the process of polymerization of coronene molecules inside the nanotubes. This behavior has been attributed to the strain of SWCNTs induced by insertion of the coronene molecules.

  5. Controlling Short-Range Interactions by Tuning Surface Chemistry in HDPE/Graphene Nanoribbon Nanocomposites.

    Sadeghi, Soheil; Zehtab Yazdi, Alireza; Sundararaj, Uttandaraman

    2015-09-03

    Unique dispersion states of nanoparticles in polymeric matrices have the potential to create composites with enhanced mechanical, thermal, and electrical properties. The present work aims to determine the state of dispersion from the melt-state rheological behavior of nanocomposites based on carbon nanotube and graphene nanoribbon (GNR) nanomaterials. GNRs were synthesized from nitrogen-doped carbon nanotubes via a chemical route using potassium permanganate and some second acids. High-density polyethylene (HDPE)/GNR nanocomposite samples were then prepared through a solution mixing procedure. Different nanocomposite dispersion states were achieved using different GNR synthesis methods providing different surface chemistry, interparticle interactions, and internal compartments. Prolonged relaxation of flow induced molecular orientation was observed due to the presence of both carbon nanotubes and GNRs. Based on the results of this work, due to relatively weak interactions between the polymer and the nanofillers, it is expected that short-range interactions between nanofillers play the key role in the final dispersion state.

  6. Composites of Graphene Nanoribbon Stacks and Epoxy for Joule Heating and Deicing of Surfaces.

    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.

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

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

    2018-05-01

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

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

    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.

  9. Magnetoexcitons and Faraday rotation in single-walled carbon nanotubes and graphene nanoribbons

    Have, Jonas; Pedersen, Thomas G.

    2018-03-01

    The magneto-optical response of single-walled carbon nanotubes (CNTs) and graphene nanoribbons (GNRs) is studied theoretically, including excitonic effects. Both diagonal and nondiagonal response functions are obtained and employed to compute Faraday rotation spectra. For single-walled CNTs in a parallel field, the results show field-dependent splitting of the exciton absorption peaks caused by brightening a dark exciton state. Similarly, for GNRs in a perpendicular magnetic field, we observe a field-dependent shift of the exciton peaks and the emergence of an absorption peak above the energy gap. Results show that excitonic effects play a significant role in the optical response of both materials, particularly for the off-diagonal tensor elements.

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

    Chakrabarty, Soubhik; Wasey, A H M Abdul; Thapa, Ranjit; Das, Gour Prasad

    2018-06-04

    To realize the graphene based spintronic device the prime challenge is to control the electronic structure of edges. In this work we find the origin of spin filtering property in edge boron doped zigzag graphene nanoribbon (ZGNRs) and provide a guide to prepare the graphene based next generation spin filter based device. Here we unveil the role of orbital (p-electron) to tune the electronic, magnetic and transport properties of the edge B doped ZGNRs. When all the edge carbon atoms at one of the edges of ZGNRs are replaced by B (100% edge B-doping), the system undergoes semiconductor to metal transition. The role of passivation of the edge with single/double atomic hydrogen on the electronic properties and its relation with the p electron is correlated in-depth. 50% edge B-doped ZGNRs (50% of the edge C atoms at one of the edges are replaced by B) also shows half-metallicity when the doped edge is left unpassivated. The half-metallic systems show 100% spin-filtering efficiency for a wide range of bias voltages. Zero bias transmission function of the other configurations shows asymmetric behavior for the up and down spin channels, thereby indicating their possible application potential in nano-spintronics. © 2018 IOP Publishing Ltd.

  11. Electronic structure and transport of a carbon chain between graphene nanoribbon leads

    Zhang, G P; Fang, X W; Yao, Y X; Wang, C Z; Ho, K M; Ding, Z J

    2011-01-01

    The electronic structure and transport property of a carbon chain between two graphene nanoribbon leads are studied using an ab initio tight-binding (TB) model and Landauer's formalism combined with a non-equilibrium Green's function. The TB Hamiltonian and overlap matrices are extracted from first-principles density functional calculations through the quasi-atomic minimal basis orbital scheme. The accuracy of the TB model is demonstrated by comparing the electronic structure from the TB model with that from first-principles density functional theory. The results of electronic transport on a carbon atomic chain connected to armchair and zigzag graphene ribbon leads, such as different transport characters near the Fermi level and at most one quantized conductance, reveal the effect of the electronic structure of the leads and the scattering from the atomic chain. In addition, bond length alternation and an interesting transmission resonance are observed in the atomic chain connected to zigzag graphene ribbon leads. Our approach provides a promising route to quantitative investigation of both the electronic structure and transport property of large systems.

  12. Li4Ti5O12/graphene nanoribbons composite as anodes for lithium ion batteries.

    Medina, P A; Zheng, H; Fahlman, B D; Annamalai, P; Swartbooi, A; le Roux, L; Mathe, M K

    2015-01-01

    In this paper, we report the synthesis of a Li4Ti5O12/Graphene Nanoribbons (LTO/GNRs) composite using a solid-coating method. Electron microscope images of the LTO/GNRs composite have shown that LTO particles were wrapped around graphene nanoribbons. The introduction of GNRs was observed to have significantly improved the rate performance of LTO/GNTs. The specific capacities determined of the obtained composite at rates of 0.2, 0.5, 1, 2, and 5 C are 206.5, 200.9, 188, 178.1 and 142.3 mAh·g(-1), respectively. This is significantly higher than those of pure LTO (169.1, 160, 150, 106 and 71.1 mAh·g(-1), respectively) especially at high rate (2 and 5 C). The LTO/GNRs also shows better cycling stability at high rates. Enhanced conductivity of LTO/GNRs contributed from the GNR frameworks accelerated the kinetics of lithium intercalation/deintercalation in LIBs that also leads to excellent rate capacity of LTO/GNRs. This is attributed to its lower charge-transfer resistance (Rct = 23.38 Ω) compared with LTO (108.05 Ω), and higher exchange current density (j = 1.1 × 10(-3) mA cm(-2))-about 20 times than those of the LTO (j = 2.38 × 10(-4) mA cm(-2)).

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

    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.

  14. Discontinuous Galerkin Time-Domain Modeling of Graphene Nano-Ribbon Incorporating the Spatial Dispersion Effects

    Li, Ping; Jiang, Li Jun; Bagci, Hakan

    2018-01-01

    It is well known that graphene demonstrates spatial dispersion properties, i.e., its conductivity is nonlocal and a function of spectral wave number (momentum operator) q. In this paper, to account for effects of spatial dispersion on transmission of high speed signals along graphene nano-ribbon (GNR) interconnects, a discontinuous Galerkin time-domain (DGTD) algorithm is proposed. The atomically-thick GNR is modeled using a nonlocal transparent surface impedance boundary condition (SIBC) incorporated into the DGTD scheme. Since the conductivity is a complicated function of q (and one cannot find an analytical Fourier transform pair between q and spatial differential operators), an exact time domain SIBC model cannot be derived. To overcome this problem, the conductivity is approximated by its Taylor series in spectral domain under low-q assumption. This approach permits expressing the time domain SIBC in the form of a second-order partial differential equation (PDE) in current density and electric field intensity. To permit easy incorporation of this PDE with the DGTD algorithm, three auxiliary variables, which degenerate the second-order (temporal and spatial) differential operators to first-order ones, are introduced. Regarding to the temporal dispersion effects, the auxiliary differential equation (ADE) method is utilized to eliminates the expensive temporal convolutions. To demonstrate the applicability of the proposed scheme, numerical results, which involve characterization of spatial dispersion effects on the transfer impedance matrix of GNR interconnects, are presented.

  15. Double gate graphene nanoribbon field effect transistor with single halo pocket in channel region

    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.

  16. Discontinuous Galerkin Time-Domain Modeling of Graphene Nano-Ribbon Incorporating the Spatial Dispersion Effects

    Li, Ping

    2018-04-13

    It is well known that graphene demonstrates spatial dispersion properties, i.e., its conductivity is nonlocal and a function of spectral wave number (momentum operator) q. In this paper, to account for effects of spatial dispersion on transmission of high speed signals along graphene nano-ribbon (GNR) interconnects, a discontinuous Galerkin time-domain (DGTD) algorithm is proposed. The atomically-thick GNR is modeled using a nonlocal transparent surface impedance boundary condition (SIBC) incorporated into the DGTD scheme. Since the conductivity is a complicated function of q (and one cannot find an analytical Fourier transform pair between q and spatial differential operators), an exact time domain SIBC model cannot be derived. To overcome this problem, the conductivity is approximated by its Taylor series in spectral domain under low-q assumption. This approach permits expressing the time domain SIBC in the form of a second-order partial differential equation (PDE) in current density and electric field intensity. To permit easy incorporation of this PDE with the DGTD algorithm, three auxiliary variables, which degenerate the second-order (temporal and spatial) differential operators to first-order ones, are introduced. Regarding to the temporal dispersion effects, the auxiliary differential equation (ADE) method is utilized to eliminates the expensive temporal convolutions. To demonstrate the applicability of the proposed scheme, numerical results, which involve characterization of spatial dispersion effects on the transfer impedance matrix of GNR interconnects, are presented.

  17. Third nearest neighbor parameterized tight binding model for graphene nano-ribbons

    Van-Truong Tran

    2017-07-01

    Full Text Available The existing tight binding models can very well reproduce the ab initio band structure of a 2D graphene sheet. For graphene nano-ribbons (GNRs, the current sets of tight binding parameters can successfully describe the semi-conducting behavior of all armchair GNRs. However, they are still failing in reproducing accurately the slope of the bands that is directly associated with the group velocity and the effective mass of electrons. In this work, both density functional theory and tight binding calculations were performed and a new set of tight binding parameters up to the third nearest neighbors including overlap terms is introduced. The results obtained with this model offer excellent agreement with the predictions of the density functional theory in most cases of ribbon structures, even in the high-energy region. Moreover, this set can induce electron-hole asymmetry as manifested in results from density functional theory. Relevant outcomes are also achieved for armchair ribbons of various widths as well as for zigzag structures, thus opening a route for multi-scale atomistic simulation of large systems that cannot be considered using density functional theory.

  18. Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

    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

  19. Modeling of cross-plane interface thermal conductance between graphene nano-ribbons

    Varshney, Vikas; Lee, Jonghoon; Farmer, Barry L; Voevodin, Andrey A; Roy, Ajit K

    2014-01-01

    Using non-equilibrium molecular dynamics for thermal energy transfer, we investigate the interfacial thermal conductance between non-covalently interacting graphene nano-ribbons (GNRs) of varying lengths and widths in a cross-contact (x-shaped) geometry. Our results show that the out-of-plane conductance between GNRs can vary significantly (up to a factor of 4) depending upon their geometric parameters. We observe that when plotted against aspect ratio, the predicted interface thermal conductance values fit excellently on a single master-plot with a logarithmic scaling, suggesting the importance of GNR aspect ratio towards thermal conductance. We propose a model based on incorporating different thermal conductance characteristics of edge and inner interacting regions which predicts the observed logarithmic dependence on aspect ratio. We also study the effect of graphene edge roughness, temperature, and strain on out-of-plane thermal conductance and discuss the observed results based on local vibrational characteristics of atoms within interacting region, number of interacting phonons, and the degree to which they interact across the interaction zone. (paper)

  20. Asymmetric valley-resolved beam splitting and incident modes in slanted graphene junctions

    Hsieh, S. H.; Chu, C. S.

    2016-01-01

    Electron injection into a graphene sheet through a slanted armchair graphene nanoribbon (AGNR) is investigated. An incident mode, or subband, in the AGNR is valley-unpolarized. Our attention is on the valley-resolved nature of the injected electron beams and its connection to the incident mode. It is known for a normal injection that an incident mode will split symmetrically into two valley-resolved beams of equal intensity. We show, in contrast, that slanted injections result in asymmetric valley-resolved beam splitting. The most asymmetric beam splitting cases, when one of the valley-resolved beams has basically disappeared, are found and the condition derived. This is shown not due to trigonal warping because it holds even in the low incident energy regime, as long as collimation allows. These most asymmetric beam splitting cases occur at energies within an energy interval near and include the subband edge of an incident mode. The physical picture is best illustrated by a projection of the slanted AGNR subband states onto that of the 2D graphene sheet. It follows that the disappearing of a valley-resolved beam coincides with the situation that the group velocities of the projected states in the corresponding valley are in backward directions

  1. Graphene nanoribbon field effect transistor for nanometer-size on-chip temperature sensor

    Banadaki, Yaser M.; Srivastava, Ashok; Sharifi, Safura

    2016-04-01

    Graphene has been extensively investigated as a promising material for various types of high performance sensors due to its large surface-to-volume ratio, remarkably high carrier mobility, high carrier density, high thermal conductivity, extremely high mechanical strength and high signal-to-noise ratio. The power density and the corresponding die temperature can be tremendously high in scaled emerging technology designs, urging the on-chip sensing and controlling of the generated heat in nanometer dimensions. In this paper, we have explored the feasibility of a thin oxide graphene nanoribbon (GNR) as nanometer-size temperature sensor for detecting local on-chip temperature at scaled bias voltages of emerging technology. We have introduced an analytical model for GNR FET for 22nm technology node, which incorporates both thermionic emission of high-energy carriers and band-to-band-tunneling (BTBT) of carriers from drain to channel regions together with different scattering mechanisms due to intrinsic acoustic phonons and optical phonons and line-edge roughness in narrow GNRs. The temperature coefficient of resistivity (TCR) of GNR FET-based temperature sensor shows approximately an order of magnitude higher TCR than large-area graphene FET temperature sensor by accurately choosing of GNR width and bias condition for a temperature set point. At gate bias VGS = 0.55 V, TCR maximizes at room temperature to 2.1×10-2 /K, which is also independent of GNR width, allowing the design of width-free GNR FET for room temperature sensing applications.

  2. Graphene nanoribbon and nanostructured SnO2 composite anodes for lithium ion batteries.

    Lin, Jian; Peng, Zhiwei; Xiang, Changsheng; Ruan, Gedeng; Yan, Zheng; Natelson, Douglas; Tour, James M

    2013-07-23

    A composite made from graphene nanoribbons (GNRs) and tin oxide (SnO2) nanoparticles (NPs) is synthesized and used as the anode material for lithium ion batteries (LIBs). The conductive GNRs, prepared using sodium/potassium unzipping of multiwall carbon nanotubes, can boost the lithium storage performance of SnO2 NPs. The composite, as an anode material for LIBs, exhibits reversible capacities of over 1520 and 1130 mAh/g for the first discharge and charge, respectively, which is more than the theoretical capacity of SnO2. The reversible capacity retains ~825 mAh/g at a current density of 100 mA/g with a Coulombic efficiency of 98% after 50 cycles. Further, the composite shows good power performance with a reversible capacity of ~580 mAh/g at the current density of 2 A/g. The high capacity, good power performance and retention can be attributed to uniformly distributed SnO2 NPs along the high-aspect-ratio GNRs. The GNRs act as conductive additives that buffer the volume changes of SnO2 during cycling. This work provides a starting point for exploring the composites made from GNRs and other transition metal oxides for lithium storage applications.

  3. Graphene nanoribbons as a drug delivery agent for lucanthone mediated therapy of glioblastoma multiforme.

    Chowdhury, Sayan Mullick; Surhland, Cassandra; Sanchez, Zina; Chaudhary, Pankaj; Suresh Kumar, M A; Lee, Stephen; Peña, Louis A; Waring, Michael; Sitharaman, Balaji; Naidu, Mamta

    2015-01-01

    We report use of PEG-DSPE coated oxidized graphene nanoribbons (O-GNR-PEG-DSPE) as agent for delivery of anti-tumor drug Lucanthone (Luc) into Glioblastoma Multiformae (GBM) cells targeting base excision repair enzyme APE-1 (Apurinic endonuclease-1). Lucanthone, an endonuclease inhibitor of APE-1, was loaded onto O-GNR-PEG-DSPEs using a simple non-covalent method. We found its uptake by GBM cell line U251 exceeding 67% and 60% in APE-1-overexpressing U251, post 24h. However, their uptake was ~38% and 29% by MCF-7 and rat glial progenitor cells (CG-4), respectively. TEM analysis of U251 showed large aggregates of O-GNR-PEG-DSPE in vesicles. Luc-O-GNR-PEG-DSPE was significantly toxic to U251 but showed little/no toxicity when exposed to MCF-7/CG-4 cells. This differential uptake effect can be exploited to use O-GNR-PEG-DSPEs as a vehicle for Luc delivery to GBM, while reducing nonspecific cytotoxicity to the surrounding healthy tissue. Cell death in U251 was necrotic, probably due to oxidative degradation of APE-1. Copyright © 2015 Elsevier Inc. All rights reserved.

  4. Structural, electronic and magnetic properties of transition-metal embedded zigzag-edged graphene nanoribbons

    Yu Guodong; Lü Xiaoling; Jiang Liwei; Gao Wenzhu; Zheng Yisong

    2013-01-01

    By means of ab initio calculations within density-functional theory, the structural, electronic and magnetic properties of a zigzag-edged graphene nanoribbon (ZGNR) with 3d transition-metal atoms (TMAs) (Sc–Zn) embedded in the periodically distributed single vacancies are systematically studied. Different from the pristine ZGNR, all of these composite structures show the subband structures with nontrivial spin polarizations, regardless of the type and the embedding position of the TMA. Embedding one kind of these atoms (V, Cr, Ni, Cu or Zn) near one ribbon edge can cause a notable edge distortion. Except for the cases of Sc, Fe and Co doping, other kinds of TMAs embedded near an edge of the ribbon can suppress the inherent magnetism of the zigzag edge. By further analysis, we find that two effects are responsible for the suppression of edge magnetism. One is the variation of the occupied spin-polarized subbands due to the hybridization of the edge state of the ZGNR and 3d atomic states of the dopant. The other is the delocalization of the edge state caused by the exotic TMA. The unilateral magnetism of these TMA-embedded ZGNRs can be utilized to realize the spin-polarized electronic transport, which is the key electronic property in the context of spintronics applications of carbon-based materials. (paper)

  5. The electronic transport properties of defected bilayer sliding armchair graphene nanoribbons

    Mohammadi, Amin; Haji-Nasiri, Saeed

    2018-04-01

    By applying non-equilibrium Green's functions (NEGF) in combination with tight-binding (TB) model, we investigate and compare the electronic transport properties of perfect and defected bilayer armchair graphene nanoribbons (BAGNRs) under finite bias. Two typical defects which are placed in the middle of top layer (i.e. single vacancy (SV) and stone wale (SW) defects) are examined. The results reveal that in both perfect and defected bilayers, the maximum current refers to β-AB, AA and α-AB stacking orders, respectively, since the intermolecular interactions are stronger in them. Moreover it is observed that a SV decreases the current in all stacking orders, but the effects of a SW defect is nearly unpredictable. Besides, we introduced a sequential switching behavior and the effects of defects on the switching performance is studied as well. We found that a SW defect can significantly improve the switching behavior of a bilayer system. Transmission spectrum, band structure, molecular energy spectrum and molecular projected self-consistent Hamiltonian (MPSH) are analyzed subsequently to understand the electronic transport properties of these bilayer devices which can be used in developing nano-scale bilayer systems.

  6. Switching from Reactant to Substrate Engineering in the Selective Synthesis of Graphene Nanoribbons.

    Merino-Díez, Néstor; Lobo-Checa, Jorge; Nita, Pawel; Garcia-Lekue, Aran; Basagni, Andrea; Vasseur, Guillaume; Tiso, Federica; Sedona, Francesco; Das, Pranab K; Fujii, Jun; Vobornik, Ivana; Sambi, Mauro; Pascual, José Ignacio; Ortega, J Enrique; de Oteyza, Dimas G

    2018-04-27

    The challenge of synthesizing graphene nanoribbons (GNRs) with atomic precision is currently being pursued along a one-way road, based on the synthesis of adequate molecular precursors that react in predefined ways through self-assembly processes. The synthetic options for GNR generation would multiply by adding a new direction to this readily successful approach, especially if both of them can be combined. We show here how GNR synthesis can be guided by an adequately nanotemplated substrate instead of by the traditionally designed reactants. The structural atomic precision, unachievable to date through top-down methods, is preserved by the self-assembly process. This new strategy's proof-of-concept compares experiments using 4,4''-dibromo-para-terphenyl as a molecular precursor on flat Au(111) and stepped Au(322) substrates. As opposed to the former, the periodic steps of the latter drive the selective synthesis of 6 atom-wide armchair GNRs, whose electronic properties have been further characterized in detail by scanning tunneling spectroscopy, angle resolved photoemission, and density functional theory calculations.

  7. Thermal conductivity of graphene nanoribbons accounting for phonon dispersion and polarization

    Wang, Yingjun; Xie, Guofeng

    2015-01-01

    The relative contribution to heat conduction by different phonon branches is still an intriguing and open question in phonon transport of graphene nanoribbons (GNRs). By incorporating the direction–dependent phonon–boundary scattering into the linearized phonon Boltzmann transport equation, we find that because of lower Grüneisen parameter, the TA phonons have the major contribution to thermal conductivity of GNRs, and in the case of smooth edge and micron–length of GNRS, the relative contribution of TA branch to thermal conductivity is over 50%. The length and edge roughness of GNRs have distinct influences on the relative contribution of different polarization branches to thermal conductivity. The contribution of TA branch to thermal conductivity increases with increasing the length or decreasing the edge roughness of GNRs. On the contrary, the contribution of ZA branch to thermal conductivity increases with decreasing the length or increasing the edge roughness of GNRs. The contribution of LA branch is length and roughness insensitive. Our findings are helpful for understanding and engineering the thermal conductivity of GNRs.

  8. A multichannel model for the self-consistent analysis of coherent transport in graphene nanoribbons.

    Mencarelli, Davide; Pierantoni, Luca; Farina, Marco; Di Donato, Andrea; Rozzi, Tullio

    2011-08-23

    In this contribution, we analyze the multichannel coherent transport in graphene nanoribbons (GNRs) by a scattering matrix approach. We consider the transport properties of GNR devices of a very general form, involving multiple bands and multiple leads. The 2D quantum transport over the whole GNR surface, described by the Schrödinger equation, is strongly nonlinear as it implies calculation of self-generated and externally applied electrostatic potentials, solutions of the 3D Poisson equation. The surface charge density is computed as a balance of carriers traveling through the channel at all of the allowed energies. Moreover, formation of bound charges corresponding to a discrete modal spectrum is observed and included in the model. We provide simulation examples by considering GNR configurations typical for transistor devices and GNR protrusions that find an interesting application as cold cathodes for X-ray generation. With reference to the latter case, a unified model is required in order to couple charge transport and charge emission. However, to a first approximation, these could be considered as independent problems, as in the example. © 2011 American Chemical Society

  9. Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains

    García-Fuente, A; Gallego, L J; Vega, A

    2015-01-01

    By means of density-functional-theoretic calculations, we investigated the structural, electronic and transport properties of hydrogen-passivated zigzag graphene nanoribbons (ZGNRs) on which a one-atom-thick Mo chain was adsorbed (with or without one or two missing atoms), or in which the passivating hydrogen atoms were replaced by Mo atoms. Mo-passivated ZGNRs proved to be nonmagnetic. ZGNRs with an adsorbed defect-free Mo chain were most stable with the Mo atoms forming dimers above edge bay sites, which suppressed the magnetic moments of the C atoms in that half of the ribbon; around the Fermi level of these systems, each spin component had a transmission channel via the Mo sp z band and one had an additional channel created by polarization of the ZGNR π * band, leading to a net spin current. The absence of an Mo dimer from an Mo chain adsorbed at the ZGNR edge made the system a perfect spin filter at low voltage bias by suppressing the Mo sp z band channels. Thus this last kind of hybrid system is a potential spin valve. (paper)

  10. Magnetic adatoms in two and four terminal graphene nanoribbons: A comparison between their spin polarized transport

    Ganguly, Sudin; Basu, Saurabh

    2018-04-01

    We study the charge and spin transport in two and four terminal graphene nanoribbons (GNR) decorated with random distribution of magnetic adatoms. The inclusion of the magnetic adatoms generates only the z-component of the spin polarized conductance via an exchange bias in the absence of Rashba spin-orbit interaction (SOI), while in presence of Rashba SOI, one is able to create all the three (x, y and z) components. This has important consequences for possible spintronic applications. The charge conductance shows interesting behaviour near the zero of the Fermi energy. Where in presence of magnetic adatoms the familiar plateau at 2e2 / h vanishes, thereby transforming a quantum spin Hall insulating phase to an ordinary insulator. The local charge current and the local spin current provide an intuitive idea on the conductance features of the system. We found that, the local charge current is independent of Rashba SOI, while the three components of the local spin currents are sensitive to Rashba SOI. Moreover the fluctuations of the spin polarized conductance are found to be useful quantities as they show specific trends, that is, they enhance with increasing adatom densities. A two terminal GNR device seems to be better suited for possible spintronic applications.

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

    Dass, Devi

    2018-03-01

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

  12. Spin-polarized transport properties of Fe atomic chain adsorbed on zigzag graphene nanoribbons

    Zhang, Z L; Chen, Y P; Xie, Y E; Zhang, M; Zhong, J X

    2011-01-01

    The spin-polarized transport properties of Fe atomic chain adsorbed on zigzag graphene nanoribbons (ZGNRs) are investigated using the density-functional theory in combination with the nonequilibrium Green's function method. We find that the Fe chain has drastic effects on spin-polarized transport properties of ZGNRs compared with a single Fe atom adsorbed on the ZGNRs. When the Fe chain is adsorbed on the centre of the ZGNR, the original semiconductor transforms into metal, showing a very wide range of spin-polarized transport. Particularly, the spin polarization around the Fermi level is up to 100%. This is because the adsorbed Fe chain not only induces many localized states but also has effects on the edge states of ZGNR, which can effectively modulate the spin-polarized transports. The spin polarization of ZGNRs is sensitive to the adsorption site of the Fe chain. When the Fe chain is adsorbed on the edge of ZGNR, the spin degeneracy of conductance is completely broken. The spin polarization is found to be more pronounced because the edge state of one edge is destroyed by the additional Fe chain. These results have direct implications for the control of the spin-dependent conductance in ZGNRs with the adsorption of Fe chains.

  13. On the possibility of electrochemical unzipping of multiwalled carbon nanotubes to produce graphene nanoribbons

    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.

  14. Magneto-induced tunability of thermo-spin current in deformed zigzag graphene nanoribbons

    Adinehloo, Davoud, E-mail: davood-adineloo@ut.ac.ir; Fathipour, Morteza [School of Electrical and Computer Engineering, University of Tehran, Tehran 14395-515 (Iran, Islamic Republic of)

    2015-12-21

    The aim of this report is to unfold how the thermo-electric spin-polarized current in a transverse-biased zigzag graphene nanoribbon changes in the presence of uniaxial deformations and uniform perpendicular magnetic field. Employing the two-parameter Hubbard model along with the non-equilibrium Green's function formalism, we found that both uniaxial strain and magnetic field can significantly modulate the bandgap, local distribution of edge states, and the critical transverse electric field needed to achieve the half-metallic phase in the ribbon. Our analysis shows a significant enhancement of the maximum attainable spin-polarized current as functions of both source temperature and contacts temperature difference, with increasing the magnetic field or applying any magnitude of compressive strain. Furthermore, it is shown that the magneto-resistance ratio of the device, can be drastically tuned via strain engineering, reaching values as high as 2 × 10{sup 4}% for compressive strains of 5% magnitude.

  15. A gate-induced switch in zigzag graphene nanoribbons and charging effects

    Cheraghchi, Hosein; Esmailzade, Hanyieh

    2010-01-01

    Using the non-equilibrium Green's function formalism, we investigate nonlinear transport and charging effects of gated graphene nanoribbons (GNRs) with an even number of zigzag chains. We find a negative differential resistance (NDR) over a wide range of gate voltages with an on/off ratio ∼ 10 6 for narrow enough ribbons. This NDR originates from the parity selection rule and also prohibition of transport between discontinuous energy bands. Since the external field is well screened close to the contacts, the NDR is robust against the electrostatic potential. However, for voltages higher than the NDR threshold, due to charge transfer through the edges of the zigzag GNR (ZGNR), screening is reduced such that the external potential can penetrate inside the ribbon giving rise to smaller values of off-current. Furthermore, the on/off ratio of the current depends on the aspect ratio of the length/width and also edge impurity. Moreover, the on/off ratio displays a power law behavior as a function of ribbon length.

  16. Impact of vacancies on the thermal conductivity of graphene nanoribbons: A molecular dynamics simulation study

    Maliha Noshin

    2017-01-01

    Full Text Available Equilibrium molecular dynamics simulation using 2nd generation Reactive Bond Order interatomic potential has been performed to model the thermal transport of nanometer sized zigzag defected graphene nanoribbons (GNRs containing several types of vacancies. We have investigated the thermal conductivity of defected GNRs as a function of vacancy concentration within a range of 0.5% to 5% and temperature ranging from 300K to 600K, along with a comparative analysis of those for pristine GNRs. We find that, a vacancy concentration of 0.5% leads to over 90% reduction in the thermal conductivity of GNRs. At low defect concentration, the decay rate is faster but ceases gradually at higher defect concentration. With the increasing temperature, thermal conductivity of defected GNRs decreases but shows less variation in comparison with that of pristine GNRs at higher temperatures. Such comprehensive study on several vacancy type defects in GNRs can provide further insight to tune up the thermal transport characteristics of low dimensional carbon nanostructures. This eventually would encourage the characterization of more stable thermal properties in thermal devices at an elevated temperature as well as the potential applicability of GNRs as thermoelectrics.

  17. Competition of edge effects on the electronic properties and excitonic effects in short graphene nanoribbons

    Lu, Yan; Wei, Sheng; Jin, Jing; Wang, Li; Lu, Wengang

    2016-01-01

    We explore the electronic properties and exciton effects in short graphene nanoribbons (SGNRs), which have two armchair edges and two zigzag edges. Our results show that both of these two types of edges have profound effects on the electronic properties and exciton effects. Both the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) states are alternatively changed between the bulk and the edge states as the lengths of the zigzag edges increase, due to the competition between the states of the two types of edges. The energy gaps, as a function of the lengths of the armchair edges, will then induce two kinds of trends. Furthermore, two kinds of exciton energies and exciton binding energies are found, which can be understood through the two kinds of HOMO and LUMO states in SGNRs. In addition, we find that the three triplet exciton states are not totally energy degenerate in SGNRs due to the spin-polarized states on the zigzag edges. (paper)

  18. The magneto-optical properties of non-uniform graphene nanoribbons

    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.

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

    He, Shenglai, E-mail: shenglai.he@vanderbilt.edu; Russakoff, Arthur; Li, Yonghui; Varga, Kálmán, E-mail: kalman.varga@vanderbilt.edu [Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235 (United States)

    2016-07-21

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

  20. First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes

    Nikolic, Branislav K.; Saha, Kamal K.; Markussen, Troels

    2012-01-01

    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......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...

  1. One-step oxidation preparation of unfolded and good soluble graphene nanoribbons by longitudinal unzipping of carbon nanotubes

    Hu, Xiaolin; Hu, Yizhen; Huang, Jindan; Zhou, Ning; Liu, Yuhan; Wei, Lin; Chen, Xin; Zhuang, Naifeng

    2018-04-01

    A simple one-step method to prepare graphene nanoribbon (GNR) is reported in this paper. Compared with water steam etching, the oxidation and co-etching of dilute sulfuric acid can result in the more complete longitudinal unzipping of carbon nanotube, although there is no other strong oxidant. As-prepared GNRs are more flat and have more oxygenated functional groups along the edge. Moreover, they can steadily disperse in a water system. These make them suitable as a carrier for supporting palladium (Pd) nanoparticles. The Pd/GNR composite exhibits a superior electrocatalytic activity for ethanol oxidation.

  2. Graphene nanoribbon field-effect transistors fabricated by etchant-free transfer from Au(788)

    Ohtomo, Manabu; Sekine, Yoshiaki; Hibino, Hiroki; Yamamoto, Hideki

    2018-01-01

    We report etching-free and iodine-free transfer of highly aligned array of armchair-edge graphene nanoribbons (ACGNRs) and their field-effect transistor (FET) characteristics. They were prepared by on-surface polymerization on Au(788) templates. The ACGNRs were mechanically delaminated and transferred onto insulating substrates with the aid of a nano-porous support layer composed of hydrogen silsesquioxane (HSQ). The key process in the mechanical delamination is the intercalation of octanethiol self-assembled monolayers (SAMs), which penetrate the HSQ layer and intercalate between the ACGNRs and Au(788). After the transfer, the octanethiol SAMs were removed with Piranha solution, enabling the reuse of the Au single crystals. The FETs fabricated with the transferred ACGNR array showed ambipolar behavior when the channel length was as long as 60 nm. Quasi-one-dimensional conductivity was observed, which implies a good alignment of GNRs after the transfer. In contrast, short-channel ACGNR FETs (channel length ˜20 nm) suffer from a geometry-dependent short-channel effect. This effect is more severe in the FETs with ACGNRs parallel to the channel, which is an ideal geometry, than in ones perpendicular to the channel. Since the ID-VD curve is well fitted by the power-law model, the short-channel effect likely stems from the space-charge limited current effect, while the wide charge-transfer region in the GNR channel can be another possible cause for the short-channel effect. These results provide us with important insights into the designing short-channel GNR-FETs with improved performance.

  3. A novel graphene nanoribbon FET with an extra peak electric field (EFP-GNRFET) for enhancing the electrical performances

    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.

  4. Intercalation assembly of Li{sub 3}VO{sub 4} nanoribbons/graphene sandwich-structured composites with enhanced oxygen reduction catalytic performance

    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.

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

    Bilić, A; Sanvito, S

    2013-01-01

    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.

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

    Bilić, Ante; Sanvito, Stefano

    2013-01-01

    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

  7. Quantum transport behavior of Ni-based dinuclear complexes in presence of zigzag graphene nanoribbon as electrode

    Sarkar, Sunandan; Pramanik, Anup; Sarkar, Pranab, E-mail: pranab.sarkar@visva-bharati.ac.in

    2016-10-20

    Highlights: • Quantum transport properties of some Ni-based dinuclear complexes are investigated. • The materials show various spin dependent properties like NDR, spin filtering, etc. • These are occurred by the influence of edge states of zGNR. • Proper tuning of these materials can alter these phenomena. - Abstract: 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.

  8. Manganese Dioxide Coated Graphene Nanoribbons Supported Palladium Nanoparticles as an Efficient Catalyst for Ethanol Electrooxidation in Alkaline Media

    Liu, Qi; Jiang, Kun; Fan, Jinchen; Lin, Yan; Min, Yulin; Xu, Qunjie; Cai, Wen-Bin

    2016-01-01

    Design of appropriate supporting materials is an alternative route to yield efficient Pt-free catalysts for ethanol oxidation reaction, which in practice may determine the conversion efficiency of direct alkaline ethanol fuel cells. In this work, graphene nanoribbons (GNRs) coated with MnO_2 are used as a unique supporting material for loading and dispersing Pd nanoparticles. XRD, TEM and XPS are applied to characterize the structure of as-synthesized Pd/MnO_2/GNRs nanocomposite catalyst, revealing a good dispersion as well as a modification of electronic property of Pd nanoparticles. Electrochemical measurements demonstrate that the as-synthesized nanocomposite displays largely enhanced electrocatalytic activity and durability toward ethanol oxidation in alkaline media as compared to the other tested Pd-based catalysts with various supports.

  9. A facile and sensitive peptide-modulating graphene oxide nanoribbon catalytic nanoplasmon analytical platform for human chorionic gonadotropin

    Liang A

    2017-12-01

    Full Text Available Aihui Liang,1,2,* Chongning Li,1,2,* Dan Li,1,2,* Yanghe Luo,1–3 Guiqing Wen,1,2 Zhiliang Jiang1,2 1Key Laboratory of Ecology of Rare and Endangered Species and Environmental Protection, Guangxi Normal University, Ministry of Education, 2Guangxi Key Laboratory of Environmental Pollution Control Theory and Technology, Guilin University of Technology, Guilin, 3School of Food and Bioengineering, Hezhou University, Hezhou, China *These authors contributed equally to this work Abstract: The nanogold reaction between HAuCl4 and citrate is very slow, and the catalyst graphene oxide nanoribbon (GONR enhanced the nanoreaction greatly to produce gold nanoparticles (AuNPs that exhibited strong surface plasmon resonance (SPR absorption (Abs at 550 nm and resonance Rayleigh scattering (RRS at 550 nm. Upon addition of the peptide of human chorionic gonadotropin (hCG, the peptide could adsorb on the GONR surface, which inhibited the catalysis. When hCG was added, peptides were separated from the GONR surface due to the formation of stable peptide–hCG complex, which led to the activation of GONR catalytic effect. With the increase in hCG concentration, the RRS and Abs signal enhanced linearly. The enhanced RRS value showed a good linear relationship with hCG concentration in the range of 0.2–20 ng/mL, with a detection limit of 70 pg/mL. Accordingly, two new GONR catalytic RRS/Abs methods were established for detecting hCG in serum samples. Keywords: nanocatalysis, graphene oxide nanoribbon, peptide regulation, hCG, RRS

  10. Finite-size effects on electronic structure and local properties in passivated AA -stacked bilayer armchair-edge graphene nanoribbons

    Chen, Xiongwen; Shi, Zhengang; Xiang, Shaohua; Song, Kehui; Zhou, Guanghui

    2017-01-01

    Based on the tight-binding model and dual-probe scanning tunneling microscopy technology, we theoretically investigate the electronic structure and local property in the passivated AA -stacked bilayer armchair-edge graphene nanoribbons (AABLAGNRs). We show that they are highly sensitive to the size of the ribbons, which is evidently different from the single-layer armchair-edge graphene nanoribbons. The ‘3 p ’ rule only applies to the narrow AABLGNRs. Namely, in the passivated 3 p - and (3 p   +  1)-AABLGNRs, the narrow ribbons are semiconducting while the medium and wide ribbons are metallic. Although the passivated (3 p   +  2)-AABLGNRs are metallic, the ‘3 j ’ rule only applies to the narrow and medium ribbons. Namely, electrons are in the semiconducting states at sites of line 3 j while they are in the metallic states at other sites. This induces a series of parallel and discrete metallic channels, consisting of lines 3 j   −  1 and 3 j   −  2, for the low-energy electronic transports. In the passivated wide (3 p   +  2)-AABLGNRs, all electrons are in the metallic states. Additionally, the ‘3 p ’ and ‘3 j ’ rules are controllable to disappear and reappear by applying an external perpendicular electric field. Resultantly, an electric filed-driven current switch can be realized in the passivated narrow and medium (3 p   +  2)-AABLGNRs. (paper)

  11. Enhanced field emission properties of tilted graphene nanoribbons on aggregated TiO{sub 2} nanotube arrays

    Hung, Shang-Chao, E-mail: schung99@gmail.com [Department of Information Technology & Communication, Shih Chien University Kaohsiung Campus, Neimen, Kaohsiung 845, Taiwan (China); Chen, Yu-Jyun [Graduate Institute of Electro-Optical Engineering & Department of Electronic Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China)

    2016-07-15

    Highlights: • Graphene nanoribbons (GNBs) slanted on aggregate TiO{sub 2} nanotube (A-TNTs) as field-emitters. • Turn-on electric field and field enhancement factor β are dependent on the substrate morphology. • Various quantities of GNRs are deposited on top of A-TNTs (GNRs/A-TNTs) with different morphologies. • With an increase of GNBs compositions, the specimens' turn-on electric field is reduced to 2.8 V/μm. • The field enhancement factor increased rapidly to about 1964 with the addition of GNRs. - Abstract: Graphene nanoribbons (GNRs) slanted on aggregate TiO{sub 2} nanotube arrays (A-TNTs) with various compositions as field-emitters are reported. The morphology, crystalline structure, and composition of the as-obtained specimens were characterized by field-emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD) and Raman spectrometry. The dependence of the turn-on electric field and the field enhancement factor β on substrate morphology was studied. An increase of GNRs reduces the specimens’ turn-on electric field to 2.8 V/μm and the field enhancement factor increased rapidly to about 1964 with the addition of GNRs. Results show a strong dependence of the field emission on GNR composition aligned with the gradient on the top of the A-TNT substrate. Enhanced FE properties of the modified TNTs can be mainly attributed to their improved electrical properties and rougher surface morphology.

  12. Symmetric scrolled packings of multilayered carbon nanoribbons

    Savin, A. V.; Korznikova, E. A.; Lobzenko, I. P.; Baimova, Yu. A.; Dmitriev, S. V.

    2016-06-01

    Scrolled packings of single-layer and multilayer graphene can be used for the creation of supercapacitors, nanopumps, nanofilters, and other nanodevices. The full atomistic simulation of graphene scrolls is restricted to consideration of relatively small systems in small time intervals. To overcome this difficulty, a two-dimensional chain model making possible an efficient calculation of static and dynamic characteristics of nanoribbon scrolls with allowance for the longitudinal and bending stiffness of nanoribbons is proposed. The model is extended to the case of scrolls of multilayer graphene. Possible equilibrium states of symmetric scrolls of multilayer carbon nanotribbons rolled up so that all nanoribbons in the scroll are equivalent are found. Dependences of the number of coils, the inner and outer radii, lowest vibrational eigenfrequencies of rolled packages on the length L of nanoribbons are obtained. It is shown that the lowest vibrational eigenfrequency of a symmetric scroll decreases with a nanoribbon length proportionally to L -1. It is energetically unfavorable for too short nanoribbons to roll up, and their ground state is a stack of plane nanoribbons. With an increasing number k of layers, the nanoribbon length L necessary for creation of symmetric scrolls increases. For a sufficiently small number of layers k and a sufficiently large nanoribbon length L, the scrolled packing has the lowest energy as compared to that of stack of plane nanoribbons and folded structures. The results can be used for development of nanomaterials and nanodevices on the basis of graphene scrolled packings.

  13. Chemical functionalization and edge doping of zigzag graphene nanoribbon with L-(+)-leucine and group IB elements-A DFT study

    Janani, K.; John Thiruvadigal, D.

    2017-10-01

    First-principles based density functional theory (DFT) calculations have been carried out on the chemically functionalized pure and Cu, Ag and Au doped zigzag graphene nanoribbon (ZGNR(6,0)) with the use of the branched chain amino acid L-(+)-Leucine named as LLZGNR(6,0), LLCuZGNR(6,0), LLAgZGNR(6,0) and LLAuZGNR(6,0) respectively. The structural stability for minimum total energy was confirmed by perturbating the geometry of the relaxed structures. The physical and chemical properties, such as band gap, chemical potential, transmission spectrum, charge transfer, bonding character and Gibb's free energy of solvation were analysed for all the four systems. It has been observed that the edge doping assisted functionalized systems (LLCuZGNR(6,0), LLAgZGNR(6,0) and LLAuZGNR(6,0)) without the inclusion of spin polarisation are semiconducting in nature. Whereas, barely functionalized system is found to be semi-metallic. An effective space charge polarisation in functionalized graphene nanoribbon has been revealed through charge transfer studies. Hence, it signifies the effective solubility of the nanoribbon in aqueous media. The results indicate the possibility of using such system as nanocarriers in targeted drug delivery applications.

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

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

    2018-04-01

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

  15. Mobility gaps in disordered graphene-based materials: an ab initio -based tight-binding approach to mesoscopic transport

    Biel, Blanca [Dpto. Electronica y Tecnologia de Computadores, Facultad de Ciencias, and CITIC, Universidad de Granada (Spain); Cresti, Alessandro; Triozon, Francois [CEA, LETI, MINATEC, Grenoble (France); Avriller, Remi [Departamento de Fysica Teorica de la Materia Condensada C-V, Facultad de Ciencias, Universidad Autonoma de Madrid (Spain); Dubois, Simon; Charlier, Jean-Christophe [PCPM and ETSF, Universit' e Catholique de Louvain (Belgium); Lopez-Bezanilla, Alejandro [CEA, INAC, SPSMS, Grenoble (France); Blase, X. [Institut N' eel, CNRS et Universit' e Joseph Fourier, Grenoble (France); Roche, Stephan [CIN2 (CSIC-ICN), Campus UAB, Barcelona (Spain); CEA, INAC, SP2M, Grenoble (France)

    2010-11-15

    As is common knowledge, armchair graphene nanoribbons (aGNRs) share many electronic features with carbon nanotubes (CNTs). Nevertheless, crucial differences emerge when disorder comes into play. It is thus instructive, both from a theoretical and a technological perspective, to analyze the impact of possible types of disorder on the transport properties of these graphene-based materials. Here we report such a comparative study between CNTs and GNRs, which points out the similarities and differences emerging as a consequence of doping by substitutional boron and nitrogen impurities. The role of edge defects (absent in CNTs) is also contrasted with chemical doping disorder. All disorder models have been derived from accurate ab initio calculations of the electronic structures (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. A facile and sensitive peptide-modulating graphene oxide nanoribbon catalytic nanoplasmon analytical platform for human chorionic gonadotropin.

    Liang, Aihui; Li, Chongning; Li, Dan; Luo, Yanghe; Wen, Guiqing; Jiang, Zhiliang

    2017-01-01

    The nanogold reaction between HAuCl 4 and citrate is very slow, and the catalyst graphene oxide nanoribbon (GONR) enhanced the nanoreaction greatly to produce gold nanoparticles (AuNPs) that exhibited strong surface plasmon resonance (SPR) absorption (Abs) at 550 nm and resonance Rayleigh scattering (RRS) at 550 nm. Upon addition of the peptide of human chorionic gonadotropin (hCG), the peptide could adsorb on the GONR surface, which inhibited the catalysis. When hCG was added, peptides were separated from the GONR surface due to the formation of stable peptide-hCG complex, which led to the activation of GONR catalytic effect. With the increase in hCG concentration, the RRS and Abs signal enhanced linearly. The enhanced RRS value showed a good linear relationship with hCG concentration in the range of 0.2-20 ng/mL, with a detection limit of 70 pg/mL. Accordingly, two new GONR catalytic RRS/Abs methods were established for detecting hCG in serum samples.

  17. Hierarchical composites of polyaniline-graphene nanoribbons-carbon nanotubes as electrode materials in all-solid-state supercapacitors

    Liu, Mingkai; Miao, Yue-E.; Zhang, Chao; Tjiu, Weng Weei; Yang, Zhibin; Peng, Huisheng; Liu, Tianxi

    2013-07-01

    A three dimensional (3D) polyaniline (PANI)-graphene nanoribbon (GNR)-carbon nanotube (CNT) composite, PANI-GNR-CNT, has been prepared via in situ polymerization of an aniline monomer on the surface of a GNR-CNT hybrid. Here, the 3D GNR-CNT hybrid has been conveniently prepared by partially unzipping the pristine multi-walled CNTs, while the residual CNTs act as ``bridges'' connecting different GNRs. The morphology and structure of the resulting hybrid materials have been characterized using transmission electron microscopy (TEM), scanning electron microscopy (SEM), Raman spectroscopy and X-ray diffraction (XRD). Electrochemical tests reveal that the hierarchical PANI-GNR-CNT composite based on the two-electrode cell possesses much higher specific capacitance (890 F g-1) than the GNR-CNT hybrid (195 F g-1) and neat PANI (283 F g-1) at a discharge current density of 0.5 A g-1. At the same time, the PANI-GNR-CNT composite displays good cycling stability with a retention ratio of 89% after 1000 cycles, suggesting that this novel PANI-GNR-CNT composite is a promising candidate for energy storage applications.

  18. Splitting of a vertical multiwalled carbon nanotube carpet to a graphene nanoribbon carpet and its use in supercapacitors.

    Zhang, Chenguang; Peng, Zhiwei; Lin, Jian; Zhu, Yu; Ruan, Gedeng; Hwang, Chih-Chau; Lu, Wei; Hauge, Robert H; Tour, James M

    2013-06-25

    Potassium vapor was used to longitudinally split vertically aligned multiwalled carbon nanotubes carpets (VA-CNTs). The resulting structures have a carpet of partially split MWCNTs and graphene nanoribbons (GNRs). The split structures were characterized by scanning electron microscopy, transmission electron microscopy, atomic force microscopy, Raman spectroscopy and X-ray photoelectron spectroscopy. When compared to the original VA-CNTs carpet, the split VA-CNTs carpet has enhanced electrochemical performance with better specific capacitance in a supercapacitor. Furthermore, the split VA-CNTs carpet has excellent cyclability as a supercapacitor electrode material. There is a measured maximum power density of 103 kW/kg at an energy density of 5.2 Wh/kg and a maximum energy density of 9.4 Wh/kg. The superior electrochemical performances of the split VA-CNTs can be attributed to the increased surface area for ion accessibility after splitting, and the lasting conductivity of the structure with their vertical conductive paths based on the preserved GNR alignment.

  19. One-step synthesis of graphene nanoribbon-MnO₂ hybrids and their all-solid-state asymmetric supercapacitors.

    Liu, Mingkai; Tjiu, Weng Weei; Pan, Jisheng; Zhang, Chao; Gao, Wei; Liu, Tianxi

    2014-04-21

    Three-dimensional (3D) hierarchical hybrid nanomaterials (GNR-MnO₂) of graphene nanoribbons (GNR) and MnO₂ nanoparticles have been prepared via a one-step method. GNR, with unique features such as high aspect ratio and plane integrity, has been obtained by longitudinal unzipping of multi-walled carbon nanotubes (CNTs). By tuning the amount of oxidant used, different mass loadings of MnO₂ nanoparticles have been uniformly deposited on the surface of GNRs. Asymmetric supercapacitors have been fabricated with the GNR-MnO₂ hybrid as the positive electrode and GNR sheets as the negative electrode. Due to the desirable porous structure, excellent electrical conductivity, as well as high rate capability and specific capacitances of both the GNR and GNR-MnO₂ hybrid, the optimized GNR//GNR-MnO₂ asymmetric supercapacitor can be cycled reversibly in an enlarged potential window of 0-2.0 V. In addition, the fabricated GNR//GNR-MnO₂ asymmetric supercapacitor exhibits a significantly enhanced maximum energy density of 29.4 W h kg(-1) (at a power density of 12.1 kW kg(-1)), compared with that of the symmetric cells based on GNR-MnO₂ hybrids or GNR sheets. This greatly enhanced energy storage ability and high rate capability can be attributed to the homogeneous dispersion and excellent pseudocapacitive performance of MnO₂ nanoparticles and the high electrical conductivity of the GNRs.

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

    Nazirfakhr, Maryam; Shahhoseini, Ali

    2018-03-01

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

  1. On the theoretical analysis of the lowest many-electron states for cyclic zigzag graphene nano-ribbons

    Álvarez-Collado, José R; Cantarero, Andrés

    2014-01-01

    We have calculated the optical and magnetic properties of the four lowest many-body states for cyclic zigzag graphene nano-ribbons (GNRs). The results have been obtained within the semi-empirical restricted frozen Hartree–Fock approximation. Firstly, we obtained one-determinant numerical and analytical coincident results. We detected the existence of two degenerate open-shell molecular orbitals (MOs) o, o’. Due to this degeneracy, some of the mentioned results do depend on any (arbitrary) orthogonal transformation between these two MOs. We have improved these preliminary results by using linear combinations of two determinants, which are eigenfunctions of the operators, which commute with the electronic Hamiltonian. These eigenfunctions represent properly the wave functions of these four electronic states. These calculations show that there are two degenerate ground states. One of them is ferromagnetic and the other state is non magnetic. Finally, we have calculated these four states to full configuration interaction level studying the dependence of their properties on the size of the GNRs. (paper)

  2. On the theoretical analysis of the lowest many-electron states for cyclic zigzag graphene nano-ribbons

    Álvarez-Collado, José R.; Cantarero, Andrés

    2014-09-01

    We have calculated the optical and magnetic properties of the four lowest many-body states for cyclic zigzag graphene nano-ribbons (GNRs). The results have been obtained within the semi-empirical restricted frozen Hartree-Fock approximation. Firstly, we obtained one-determinant numerical and analytical coincident results. We detected the existence of two degenerate open-shell molecular orbitals (MOs) o, o’. Due to this degeneracy, some of the mentioned results do depend on any (arbitrary) orthogonal transformation between these two MOs. We have improved these preliminary results by using linear combinations of two determinants, which are eigenfunctions of the operators, which commute with the electronic Hamiltonian. These eigenfunctions represent properly the wave functions of these four electronic states. These calculations show that there are two degenerate ground states. One of them is ferromagnetic and the other state is non magnetic. Finally, we have calculated these four states to full configuration interaction level studying the dependence of their properties on the size of the GNRs.

  3. Electronic structure and transport properties of monatomic Fe chains in a vacuum and anchored to a graphene nanoribbon

    Nguyen, N B; Lebon, A; Vega, A; García-Fuente, A; Gallego, L J

    2012-01-01

    The electronic structure and transport properties of monatomic Fe wires of different characteristics are studied within the density functional theory. In both equidistant and dimerized (more stable) isolated wires, magnetism plays an important role since it leads to different shapes of the transmission coefficients for each spin component. In equidistant wires, electron localization around the Fermi level leads to symmetry breaking between d xy and d x 2 -y 2 bands. The main effect of the structural dimerization is to decrease the number of channels available for the minority spin component. When anchored to the edges of a graphene nanoribbon, the dimerization of the chain is preserved, despite the hybridization of the d states of Fe with the C atoms which gives way to a reduction in the number of d channels around the Fermi level. Most conduction is then led by an electronic channel from the ribbon and the sp z bands from the Fe wires. Suggestions to improve the spintronic ability of Fe wires are proposed.

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

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

    2017-10-11

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

  5. Electronic ferroelectricity in carbon-based systems: from reality of organic conductors to promises of polymers and graphene nano-ribbons

    Kirova, Natasha; Brazovskii, Serguei

    2014-01-01

    Ferroelectricity is a rising demand in fundamental and applied solid state physics. Ferroelectrics are used in microelectronics as active gate materials, in capacitors, electro-optical-acoustic modulators, etc. There is a particular demand for plastic ferroelectrics, e.g. as a sensor for acoustic imaging in medicine and beyond, in shapeable capacitors, etc. Microscopic mechanisms of ferroelectric polarization in traditional materials are typically ionic. In this talk we discuss the electronic ferroelectrics – carbon-based materials: organic crystals, conducting polymers and graphene nano-ribbons. The motion of walls, separating domains with opposite electric polarisation, can be influenced and manipulated by terahertz and infra-red range optics

  6. Physicochemical characterization, and relaxometry studies of micro-graphite oxide, graphene nanoplatelets, and nanoribbons.

    Bhavna S Paratala

    Full Text Available The chemistry of high-performance magnetic resonance imaging contrast agents remains an active area of research. In this work, we demonstrate that the potassium permanganate-based oxidative chemical procedures used to synthesize graphite oxide or graphene nanoparticles leads to the confinement (intercalation of trace amounts of Mn(2+ ions between the graphene sheets, and that these manganese intercalated graphitic and graphene structures show disparate structural, chemical and magnetic properties, and high relaxivity (up to 2 order and distinctly different nuclear magnetic resonance dispersion profiles compared to paramagnetic chelate compounds. The results taken together with other published reports on confinement of paramagnetic metal ions within single-walled carbon nanotubes (a rolled up graphene sheet show that confinement (encapsulation or intercalation of paramagnetic metal ions within graphene sheets, and not the size, shape or architecture of the graphitic carbon particles is the key determinant for increasing relaxivity, and thus, identifies nano confinement of paramagnetic ions as novel general strategy to develop paramagnetic metal-ion graphitic-carbon complexes as high relaxivity MRI contrast agents.

  7. One-step synthesis of graphene nanoribbon-MnO2 hybrids and their all-solid-state asymmetric supercapacitors

    Liu, Mingkai; Tjiu, Weng Weei; Pan, Jisheng; Zhang, Chao; Gao, Wei; Liu, Tianxi

    2014-03-01

    Three-dimensional (3D) hierarchical hybrid nanomaterials (GNR-MnO2) of graphene nanoribbons (GNR) and MnO2 nanoparticles have been prepared via a one-step method. GNR, with unique features such as high aspect ratio and plane integrity, has been obtained by longitudinal unzipping of multi-walled carbon nanotubes (CNTs). By tuning the amount of oxidant used, different mass loadings of MnO2 nanoparticles have been uniformly deposited on the surface of GNRs. Asymmetric supercapacitors have been fabricated with the GNR-MnO2 hybrid as the positive electrode and GNR sheets as the negative electrode. Due to the desirable porous structure, excellent electrical conductivity, as well as high rate capability and specific capacitances of both the GNR and GNR-MnO2 hybrid, the optimized GNR//GNR-MnO2 asymmetric supercapacitor can be cycled reversibly in an enlarged potential window of 0-2.0 V. In addition, the fabricated GNR//GNR-MnO2 asymmetric supercapacitor exhibits a significantly enhanced maximum energy density of 29.4 W h kg-1 (at a power density of 12.1 kW kg-1), compared with that of the symmetric cells based on GNR-MnO2 hybrids or GNR sheets. This greatly enhanced energy storage ability and high rate capability can be attributed to the homogeneous dispersion and excellent pseudocapacitive performance of MnO2 nanoparticles and the high electrical conductivity of the GNRs.Three-dimensional (3D) hierarchical hybrid nanomaterials (GNR-MnO2) of graphene nanoribbons (GNR) and MnO2 nanoparticles have been prepared via a one-step method. GNR, with unique features such as high aspect ratio and plane integrity, has been obtained by longitudinal unzipping of multi-walled carbon nanotubes (CNTs). By tuning the amount of oxidant used, different mass loadings of MnO2 nanoparticles have been uniformly deposited on the surface of GNRs. Asymmetric supercapacitors have been fabricated with the GNR-MnO2 hybrid as the positive electrode and GNR sheets as the negative electrode. Due to the

  8. Graphene nanoribbons exfoliated from graphite surface dislocation bands by electrostatic force

    Sidorov, Anton N; Ouseph, P J; Sumanasekera, Gamini; Bansal, Tanesh

    2010-01-01

    We have developed a novel technique to produce long and narrow graphene ribbons with smooth edges. This technique is free of any chemical treatments and involves a combination of two steps: (i) creation of surface dislocation ribbons by high velocity clusters impacting the graphite surface and (ii) electrostatic transferring of the dislocation ribbons to a desired substrate. The width of the ribbons can be controlled by varying the impact velocity of a cluster jet stream from a gas jet impactor. The electrical transport properties were investigated on the ribbons in field effect transistor (FET) configuration. The p-type behavior observed under ambient conditions was found to be reversed upon annealing at 180 deg. C in a vacuum of 10 -7 Torr. Charge transfer effects were observed when the degassed graphene was exposed to N 2 O and NH 3 .

  9. Two-Dimensional Model of Scrolled Packings of Molecular Nanoribbons

    Savin, A. V.; Mazo, M. A.

    2018-04-01

    A simplified model of the in-plane molecular chain, allowing the description of folded and scrolled packings of molecular nanoribbons of different structures, is proposed. Using this model, possible steady states of single-layer nanoribbons scrolls of graphene, graphane, fluorographene, and fluorographane (graphene hydrogenated on the one side and fluorinated on the other side) are obtained. Their stability is demonstrated and their energy is calculated as a function of the nanoribbon length. It is shown that the scrolled packing is the most energetically favorable nanoribbon conformation at long lengths. The existences of scrolled packings for fluorographene nanoribbons and the existence of two different scroll types corresponding to left- and right-hand Archimedean spirals for fluorographane nanoribbons in the chain model are shown for the first time. The simplicity of the proposed model makes it possible to consider the dynamics of scrolls of rather long molecular nanoribbons at long enough time intervals.

  10. Enhanced electrical conductivity in graphene and boron nitride nanoribbons in large electric fields

    Chegel, Raad

    2018-02-01

    Based on data of density function theory (DFT) as the input of tight binding model, the electrical conductivity (σ(T)) of graphene nanoribbos (GNRs) and Boron Nitride nanoribbos (BNNRs) under external electric fields with different wide are studied using the Green's function method. The BNNRs are wide band gap semiconductor and they are turned into metal depending on their electric field strength. The σ(T) shows increasing in low temperature region and after reaching the maximum value, it will decrease in high temperature region. In lower temperature ranges, the electrical conductivity of the GNRs is greater than that of the BNNRs. In a low temperature region, the σ(T) of GNRs increases linearly with temperature unlike the BNNRs. The electrical conductivity are strongly dependent on the electric field strength.

  11. Efficient photocatalytic degradation of ibuprofen in aqueous solution using novel visible-light responsive graphene quantum dot/AgVO{sub 3} nanoribbons

    Lei, Zhen-dong [Department of Physics, Tsinghua University, Beijing 100084 (China); Wang, Jia-jun [Shanghai Institute of Applied Radiation, Shanghai University, Shanghai 200444 (China); Wang, Liang, E-mail: wangl@shu.edu.cn [Institute of Nanochemistry and Nanobiology, Shanghai University, Shanghai 200444 (China); Yang, Xiong-yu; Xu, Gang [Shanghai Institute of Applied Radiation, Shanghai University, Shanghai 200444 (China); Tang, Liang, E-mail: tang1liang@shu.edu.cn [Shanghai Institute of Applied Radiation, Shanghai University, Shanghai 200444 (China)

    2016-07-15

    Highlights: • A novel heterojunction photocatalyst, GQD/AgVO{sub 3} was prepared. • The morphology of GQD/AgVO{sub 3} was well characterized. • Ibuprofen was easily decomposed using GQD/AgVO{sub 3} under visible-light irradiation. • The degradation pathway of ibuprofen was also suggested. - Abstract: Single crystalline, non-toxicity, and long-term stability graphene quantum dots (GQDs) were modified onto the AgVO{sub 3} nanoribbons by a facile hydrothermal and sintering technique which constructs a unique heterojunction photocatalyst. Characterization results indicate that GQDs are well dispersed on the surface of AgVO{sub 3} nanoribbons and GQD/AgVO{sub 3} heterojunctions are formed, which can greatly promote the separation efficiency of photogenerated electron-hole pairs under visible light irradiation. By taking advantage of this feature, the GQD/AgVO{sub 3} heterojunctions exhibit considerable improvement on the photocatalytic activities for the degradation of ibuprofen (IBP) under visible light irradiation as compared to pure AgVO{sub 3}. The photocatalytic activity of GQD/AgVO{sub 3} heterojunctions is relevant with GQD ratio and the optimal activity is obtained at 3 wt% with the highest separation efficiency of photogenerated electron-hole pairs. Integrating the physicochemical and photocatalytic properties, the factors controlling the photocatalytic activity of GQD/AgVO{sub 3} heterojunctions are discussed in detail. Moreover, potential photocatalytic degradation mechanisms of IBP via GQD/AgVO{sub 3} heterojunctions under visible light are proposed.

  12. The role of electronic dopant on full band in-plane RKKY coupling in armchair graphene nanoribbons-magnetic impurity system

    Hoi, Bui Dinh; Yarmohammadi, Mohsen

    2018-05-01

    Motivated by the growing interest in solving the obstacles of spintronics applications, we study the Ruderman-Kittel-Kasuya-Yosida (RKKY) effective pairwise interaction between magnetic impurities interacting through the π -electrons embedded in both electronically doped-semiconducting and metallic armchair graphene nanoribbons. In terms of the Green's function formalism, treated in a tight-binding approximation with hopping beyond Dirac cone approximation, the RKKY coupling is an attraction or a repulsion depending on the magnetic impurities distances. Our results show that the RKKY coupling in semiconducting nanoribbons is much more affected by doping than metallic ones. Furthermore, we found that the RKKY coupling increases with ribbon width, while there exist some critical electronic concentrations in RKKY interaction oscillations. On the other hand, we find an unusual incoming wave-vector direction for electrons which describes more clearly the ferro- and antiferromagnetic spin configurations in such system. Also, the RKKY coupling at low and high-temperature regions has been addressed for both ferro- and antiferromagnetic spin arrangements.

  13. Effective enhancement of gas separation performance in mixed matrix membranes using core/shell structured multi-walled carbon nanotube/graphene oxide nanoribbons

    Xue, Qingzhong; Pan, Xinglong; Li, Xiaofang; Zhang, Jianqiang; Guo, Qikai

    2017-02-01

    Novel core/shell structured multi-walled carbon nanotube/graphene oxide nanoribbons (MWCNT@GONRs) nanohybrids were successfully prepared using a modified chemical longitudinal unzipping method. Subsequently, the MWCNT@GONRs nanohybrids were used as fillers to enhance the gas separation performance of polyimide based mixed matrix membranes (MMMs). It is found that MMMs concurrently exhibited higher gas selectivity and higher gas permeability compared to pristine polyimide. The high gas selectivity could be attributed to the GONRs shell, which provided a selective barrier and large gas adsorbed area, while the high gas permeability resulted from the hollow structured MWCNTs core with smooth internal surface, which acted as a rapid transport channel. MWCNT@GONRs could be promising candidates to improve gas separation performance of MMMs due to the unique microstructures, ease of synthesis and low filling loading.

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

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

    2018-05-01

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

  15. A glassy carbon electrode modified with a multiwalled carbon nanotube-reduced graphene oxide nanoribbon core-shell structure for electrochemical sensing of p-dihydroxybenzene

    Zhu, Gangbing; Yi, Yinhui; Liu, Zhenjiang; Sun, Jianfan; Wu, Xiangyang; Zou, Bin

    2015-01-01

    Multiwalled carbon nanotubes (MWCNT) were covered with reduced graphene oxide nanoribbons (rGONR) to give a material with a core-shell heterostructure of the type MWCNT-rGONR. It was obtained by (a) longitudinal partial unzipping of MWCNT to form MWCNT-GONR, and (b) subsequent chemical reduction with hydrazine to give MWCNT-rGONR. The MWCNT-rGONR heterostructure was used to modify a glassy carbon electrode (GCE) to obtain an electrochemical sensor for p-dihydroxybenzene (DHB). The synergistic effects of the MWCNT and the rGONR results in a distinctly improved redox current towards DHB compared to a bare GCE, an MWCNT/GCE, and an MWCNT-GONR/GCE. At the working voltage range from −1 00 to 400 mV, it displays a linear response to DHB in the 80 to 3000 nM concentration range with a 20 nM detection limit. (author)

  16. Vertical heterostructures of MoS2 and graphene nanoribbons grown by two-step chemical vapor deposition for high-gain photodetectors.

    Yunus, Rozan Mohamad; Endo, Hiroko; Tsuji, Masaharu; Ago, Hiroki

    2015-10-14

    Heterostructures of two-dimensional (2D) layered materials have attracted growing interest due to their unique properties and possible applications in electronics, photonics, and energy. Reduction of the dimensionality from 2D to one-dimensional (1D), such as graphene nanoribbons (GNRs), is also interesting due to the electron confinement effect and unique edge effects. Here, we demonstrate a bottom-up approach to grow vertical heterostructures of MoS2 and GNRs by a two-step chemical vapor deposition (CVD) method. Single-layer GNRs were first grown by ambient pressure CVD on an epitaxial Cu(100) film, followed by the second CVD process to grow MoS2 over the GNRs. The MoS2 layer was found to grow preferentially on the GNR surface, while the coverage could be further tuned by adjusting the growth conditions. The MoS2/GNR nanostructures show clear photosensitivity to visible light with an optical response much higher than that of a 2D MoS2/graphene heterostructure. The ability to grow a novel 1D heterostructure of layered materials by a bottom-up CVD approach will open up a new avenue to expand the dimensionality of the material synthesis and applications.

  17. Sensitive electrochemical sensing for polycyclic aromatic amines based on a novel core-shell multiwalled carbon nanotubes@ graphene oxide nanoribbons heterostructure.

    Zhu, Gangbing; Yi, Yinhui; Han, Zhixiang; Wang, Kun; Wu, Xiangyang

    2014-10-03

    Being awfully harmful to the environment and human health, the qualitative and quantitative determinations of polycyclic aromatic amines (PAAs) are of great significance. In this paper, a novel core-shell heterostructure of multiwalled carbon nanotubes (MWCNTs) as the core and graphene oxide nanoribbons (GONRs) as the shell (MWCNTs@GONRs) was produced from longitudinal partially unzipping of MWCNTs side walls using a simple wet chemical strategy and applied for electrochemical determination of three kinds of PAAs (1-aminopyrene (1-AP), 1-aminonaphthalene and 3,3'-diaminobiphenyl). Scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, thermogravimetric analysis and electrochemical methods were used to characterize the as-prepared MWCNTs@GONRs. Due to the synergistic effects from MWCNTs and GONRs, the oxidation currents of PAAs at the MWCNTs@GONRs modified glassy carbon (GC) electrode are much higher than that at the MWCNTs/GC, graphene/GC and bare GC electrodes. 1-AP was used as the representative analyte to demonstrate the sensing performance of the MWCNTs@GONRs/GC electrode, and the proposed modified electrode has a linear response range of 8.0-500.0 nM with a detection limit of 1.5 nM towards 1-AP. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Sensitive electrochemical sensing for polycyclic aromatic amines based on a novel core–shell multiwalled carbon nanotubes@ graphene oxide nanoribbons heterostructure

    Zhu, Gangbing, E-mail: zhgb1030@ujs.edu.cn [School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang 212013 (China); Yi, Yinhui; Han, Zhixiang [School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang 212013 (China); Wang, Kun [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Wu, Xiangyang, E-mail: wuxy@ujs.edu.cn [School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang 212013 (China)

    2014-10-03

    Highlights: • A core–shell heterostructure MWCNTs@GONRs was produced from unzipping MWCNTs. • A new electrochemical sensor for PAAs was developed based on MWCNTs@GONRs hybrids. • The sensor shows good analytical performance for PAAs detection. - Abstract: Being awfully harmful to the environment and human health, the qualitative and quantitative determinations of polycyclic aromatic amines (PAAs) are of great significance. In this paper, a novel core–shell heterostructure of multiwalled carbon nanotubes (MWCNTs) as the core and graphene oxide nanoribbons (GONRs) as the shell (MWCNTs@GONRs) was produced from longitudinal partially unzipping of MWCNTs side walls using a simple wet chemical strategy and applied for electrochemical determination of three kinds of PAAs (1-aminopyrene (1-AP), 1-aminonaphthalene and 3,3′-diaminobiphenyl). Scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, thermogravimetric analysis and electrochemical methods were used to characterize the as-prepared MWCNTs@GONRs. Due to the synergistic effects from MWCNTs and GONRs, the oxidation currents of PAAs at the MWCNTs@GONRs modified glassy carbon (GC) electrode are much higher than that at the MWCNTs/GC, graphene/GC and bare GC electrodes. 1-AP was used as the representative analyte to demonstrate the sensing performance of the MWCNTs@GONRs/GC electrode, and the proposed modified electrode has a linear response range of 8.0–500.0 nM with a detection limit of 1.5 nM towards 1-AP.

  19. Sensitive electrochemical sensing for polycyclic aromatic amines based on a novel core–shell multiwalled carbon nanotubes@ graphene oxide nanoribbons heterostructure

    Zhu, Gangbing; Yi, Yinhui; Han, Zhixiang; Wang, Kun; Wu, Xiangyang

    2014-01-01

    Highlights: • A core–shell heterostructure MWCNTs@GONRs was produced from unzipping MWCNTs. • A new electrochemical sensor for PAAs was developed based on MWCNTs@GONRs hybrids. • The sensor shows good analytical performance for PAAs detection. - Abstract: Being awfully harmful to the environment and human health, the qualitative and quantitative determinations of polycyclic aromatic amines (PAAs) are of great significance. In this paper, a novel core–shell heterostructure of multiwalled carbon nanotubes (MWCNTs) as the core and graphene oxide nanoribbons (GONRs) as the shell (MWCNTs@GONRs) was produced from longitudinal partially unzipping of MWCNTs side walls using a simple wet chemical strategy and applied for electrochemical determination of three kinds of PAAs (1-aminopyrene (1-AP), 1-aminonaphthalene and 3,3′-diaminobiphenyl). Scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, thermogravimetric analysis and electrochemical methods were used to characterize the as-prepared MWCNTs@GONRs. Due to the synergistic effects from MWCNTs and GONRs, the oxidation currents of PAAs at the MWCNTs@GONRs modified glassy carbon (GC) electrode are much higher than that at the MWCNTs/GC, graphene/GC and bare GC electrodes. 1-AP was used as the representative analyte to demonstrate the sensing performance of the MWCNTs@GONRs/GC electrode, and the proposed modified electrode has a linear response range of 8.0–500.0 nM with a detection limit of 1.5 nM towards 1-AP

  20. Propagation and excitation of graphene plasmon polaritons

    Zhu, Xiaolong; Yan, Wei; Jeppesen, Claus

    2013-01-01

    We theoretically investigate the propagation of graphene plasmon polaritons in graphene nanoribbon waveguides and experimentally observe the excitation of the graphene plasmon polaritons in a continuous graphene monolayer. We show that graphene nanoribbon bends do not induce any additional loss...... and nanofocusing occurs in a tapered graphene nanoriboon, and we experimentally demonstrate the excitation of graphene plasmon polaritonss in a continuous graphene monolayer assisted by a two-dimensional subwavelength silicon grating....

  1. M3C (M: Fe, Co, Ni) Nanocrystals Encased in Graphene Nanoribbons: An Active and Stable Bifunctional Electrocatalyst for Oxygen Reduction and Hydrogen Evolution Reactions.

    Fan, Xiujun; Peng, Zhiwei; Ye, Ruquan; Zhou, Haiqing; Guo, Xia

    2015-07-28

    Transition metal carbide nanocrystalline M3C (M: Fe, Co, Ni) encapsulated in graphitic shells supported with vertically aligned graphene nanoribbons (VA-GNRs) are synthesized through a hot filament chemical vapor deposition (HF-CVD) method. The process is based on the direct reaction between iron group metals (Fe, Co, Ni) and carbon source, which are facilely get high purity carbide nanocrystals (NCs) and avoid any other impurity at relatively low temperature. The M3C-GNRs exhibit superior enhanced electrocatalystic activity for oxygen reduction reaction (ORR), including low Tafel slope (39, 41, and 45 mV dec(-1) for Fe3C-GNRs, Co3C-GNRs, and Ni3C-GNRs, respectively), positive onset potential (∼0.8 V), high electron transfer number (∼4), and long-term stability (no obvious drop after 20 000 s test). The M3C-GNRs catalyst also exhibits remarkable hydrogen evolution reaction (HER) activity with a large cathodic current density of 166.6, 79.6, and 116.4 mA cm(-2) at an overpotential of 200 mV, low onset overpotential of 32, 41, and 35 mV, small Tafel slope of 46, 57, and 54 mV dec(-1) for Fe3C-GNRs, Co3C-GNRs, and Ni3C-GNRs, respectively, as well as an excellent stability in acidic media.

  2. Label-free impedimetric aptasensor for detection of femtomole level acetamiprid using gold nanoparticles decorated multiwalled carbon nanotube-reduced graphene oxide nanoribbon composites.

    Fei, Airong; Liu, Qian; Huan, Juan; Qian, Jing; Dong, Xiaoya; Qiu, Baijing; Mao, Hanping; Wang, Kun

    2015-08-15

    Gold nanoparticles (Au NPs) decorated multiwalled carbon nanotube-reduced graphene oxide nanoribbon (Au/MWCNT-rGONR) composites were synthesized by a one-pot reaction. By employing the resulting Au/MWCNT-rGONR composites as the support for aptamer immobilization, we developed an ultrasensitive label-free electrochemical impedimetric aptasensor for acetamiprid detection, which was based on that the variation of electron transfer resistance was relevant to the formation of acetamiprid-aptamer complex at the modified electrode surface. Compared with pure Au NPs and MWCNT-rGONR, the Au/MWCNT-rGONR composites modified electrode was the most sensitive aptasensing platform for the determination of acetamiprid. The proposed aptasensor displayed a linear response for acetamiprid in the range from 5×10(-14) M to 1×10(-5) M with an extremely low detection limit of 1.7×10(-14) M (S/N=3). In addition, this impedimetric aptasensor possessed great advantages including the simple operation process, low-cost, selectivity and sensitivity, which provided a promising model for the aptamer-based detection with a direct impedimetric method. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Improvement in the performance of graphene nanoribbon p-i-n tunneling field effect transistors by applying lightly doped profile on drain region

    Naderi, Ali

    2017-12-01

    In this paper, an efficient structure with lightly doped drain region is proposed for p-i-n graphene nanoribbon field effect transistors (LD-PIN-GNRFET). Self-consistent solution of Poisson and Schrödinger equation within Nonequilibrium Green’s function (NEGF) formalism has been employed to simulate the quantum transport of the devices. In proposed structure, source region is doped by constant doping density, channel is an intrinsic GNR, and drain region contains two parts with lightly and heavily doped doping distributions. The important challenge in tunneling devices is obtaining higher current ratio. Our simulations demonstrate that LD-PIN-GNRFET is a steep slope device which not only reduces the leakage current and current ratio but also enhances delay, power delay product, and cutoff frequency in comparison with conventional PIN GNRFETs with uniform distribution of impurity and with linear doping profile in drain region. Also, the device is able to operate in higher drain-source voltages due to the effectively reduced electric field at drain side. Briefly, the proposed structure can be considered as a more reliable device for low standby-power logic applications operating at higher voltages and upper cutoff frequencies.

  4. Electrochemical characteristics of graphene nanoribbon/polypyrrole composite prepared via oxidation polymerization in the presence of poly-(sodium 4-styrenesulfonate)

    Hsu, Feng-Hao; Huang, Jyun-Wei; Wu, Tzong-Ming

    2015-01-01

    Graphene nanoribbon (GNR)/polypyrrole (PPy) composite is synthesized via in situ chemical oxidation polymerization in presence of poly-(sodium 4-styrenesulfonate) (PSS) as a surfactant. The morphology of GNR/PPy composites is observed by field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). The electrochemical properties are characterized using galvanostatic charge–discharge and cycle voltammetry (CV). The specific capacitance of GNR/PPy composites shows the highest value of 881 F g −1 that in presence of 9 wt% GNR at a current density of 0.5 A g −1 . The GNR/PPy composite also demonstrates the good cycle stability with only 16% decay of initial capacitance that much lower than 64% decay of pure PPy after 1000 cycles. - Highlights: • PPy/GNR nanocomposites are synthesized using in situ chemical polymerization. • The notable specific capacitance of 881 F g −1 at a current density of 0.5 A g −1 is obtained. • Excellent cyclic stability of PPy/GNR nanocomposites is achieved

  5. Electrochemical characteristics of graphene nanoribbon/polypyrrole composite prepared via oxidation polymerization in the presence of poly-(sodium 4-styrenesulfonate)

    Hsu, Feng-Hao; Huang, Jyun-Wei; Wu, Tzong-Ming, E-mail: tmwu@dragon.nchu.edu.tw

    2015-07-01

    Graphene nanoribbon (GNR)/polypyrrole (PPy) composite is synthesized via in situ chemical oxidation polymerization in presence of poly-(sodium 4-styrenesulfonate) (PSS) as a surfactant. The morphology of GNR/PPy composites is observed by field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). The electrochemical properties are characterized using galvanostatic charge–discharge and cycle voltammetry (CV). The specific capacitance of GNR/PPy composites shows the highest value of 881 F g{sup −1} that in presence of 9 wt% GNR at a current density of 0.5 A g{sup −1}. The GNR/PPy composite also demonstrates the good cycle stability with only 16% decay of initial capacitance that much lower than 64% decay of pure PPy after 1000 cycles. - Highlights: • PPy/GNR nanocomposites are synthesized using in situ chemical polymerization. • The notable specific capacitance of 881 F g{sup −1} at a current density of 0.5 A g{sup −1} is obtained. • Excellent cyclic stability of PPy/GNR nanocomposites is achieved.

  6. Highly sensitive and simultaneous electrochemical determination of 2-aminophenol and 4-aminophenol based on poly(l-arginine)-β-cyclodextrin/carbon nanotubes@graphene nanoribbons modified electrode.

    Yi, Yinhui; Zhu, Gangbing; Wu, Xiangyang; Wang, Kun

    2016-03-15

    Owing to the similar characteristics and physiochemical property of 2-aminophenol (2-AP) and 4-aminophenol (4-AP), the highly sensitive simultaneous electrochemical determination of 2- and 4-AP is a great challenge. In this paper, by electropolymerizing β-cyclodextrin (β-CD) and l-arginine (l-Arg) on the surface of carbon nanotubes@graphene nanoribbons (CNTs@GNRs) core-shell heterostructure, a P-β-CD-l-Arg/CNTs@GNRs nanohybrid modified electrode was prepared successfully, and it could exhibit the synergetic effects of β-CD (high host-guest recognition and enrichment ability), l-Arg (excellent electrocatalytic activity) and CNTs@GNRs (prominent electrochemical properties and large surface area), the P-β-CD-l-Arg/CNTs@GNRs modified electrode was used in the electrochemical determination of 2- and 4-AP, the results demonstrated that the highly sensitive and simultaneous determination of 2- and 4-AP is successfully achieved and the modified electrode has a linear response range of 25.0-1300.0 nM for both 2- and 4-AP, and the detection limits of 2- and 4-AP obtained in this work are 6.2 and 3.5 nM, respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Electric field and substrate–induced modulation of spin-polarized transport in graphene nanoribbons on A3B5 semiconductors

    Ilyasov, Victor V.; Nguyen, Chuong V.; Ershov, Igor V.; Hieu, Nguyen N.

    2015-01-01

    In this work, we present the density functional theory calculations of the effect of an oriented electric field on the electronic structure and spin-polarized transport in a one dimensional (1D) zigzag graphene nanoribbon (ZGNR) channel placed on a wide bandgap semiconductor of the A3B5 type. Our calculations show that carrier mobility in the 1D semiconductor channel of the ZGNR/A3B5(0001) type is in the range from 1.7×10 4 to 30.5×10 4 cm 2 /Vs and can be controlled by an electric field. In particular, at the critical value of the positive potential, even though hole mobility in an one-dimensional 8-ZGNR/h-BN semiconductor channel for spin down electron subsystems is equal to zero, hole mobility can be increased to 4.1×10 5 cm 2 /Vs for spin up electron subsystems. We found that band gap and carrier mobility in a 1D semiconductor channel of the ZGNR/A3B5(0001) type depend strongly on an external electric field. With these extraordinary properties, ZGNR/A3B5(0001) can become a promising materials for application in nanospintronic devices

  8. Enhanced Device and Circuit-Level Performance Benchmarking of Graphene Nanoribbon Field-Effect Transistor against a Nano-MOSFET with Interconnects

    Huei Chaeng Chin

    2014-01-01

    Full Text Available Comparative benchmarking of a graphene nanoribbon field-effect transistor (GNRFET and a nanoscale metal-oxide-semiconductor field-effect transistor (nano-MOSFET for applications in ultralarge-scale integration (ULSI is reported. GNRFET is found to be distinctly superior in the circuit-level architecture. The remarkable transport properties of GNR propel it into an alternative technology to circumvent the limitations imposed by the silicon-based electronics. Budding GNRFET, using the circuit-level modeling software SPICE, exhibits enriched performance for digital logic gates in 16 nm process technology. The assessment of these performance metrics includes energy-delay product (EDP and power-delay product (PDP of inverter and NOR and NAND gates, forming the building blocks for ULSI. The evaluation of EDP and PDP is carried out for an interconnect length that ranges up to 100 μm. An analysis, based on the drain and gate current-voltage (Id-Vd and Id-Vg, for subthreshold swing (SS, drain-induced barrier lowering (DIBL, and current on/off ratio for circuit implementation is given. GNRFET can overcome the short-channel effects that are prevalent in sub-100 nm Si MOSFET. GNRFET provides reduced EDP and PDP one order of magnitude that is lower than that of a MOSFET. Even though the GNRFET is energy efficient, the circuit performance of the device is limited by the interconnect capacitances.

  9. The localization-delocalization matrix and the electron-density-weighted connectivity matrix of a finite graphene nanoribbon reconstructed from kernel fragments.

    Timm, Matthew J; Matta, Chérif F; Massa, Lou; Huang, Lulu

    2014-11-26

    Bader's quantum theory of atoms in molecules (QTAIM) and chemical graph theory, merged in the localization-delocalization matrices (LDMs) and the electron-density-weighted connectivity matrices (EDWCM), are shown to benefit in computational speed from the kernel energy method (KEM). The LDM and EDWCM quantum chemical graph matrices of a 66-atom C46H20 hydrogen-terminated armchair graphene nanoribbon, in 14 (2×7) rings of C2v symmetry, are accurately reconstructed from kernel fragments. (This includes the full sets of electron densities at 84 bond critical points and 19 ring critical points, and the full sets of 66 localization and 4290 delocalization indices (LIs and DIs).) The average absolute deviations between KEM and directly calculated atomic electron populations, obtained from the sum of the LIs and half of the DIs of an atom, are 0.0012 ± 0.0018 e(-) (∼0.02 ± 0.03%) for carbon atoms and 0.0007 ± 0.0003 e(-) (∼0.01 ± 0.01%) for hydrogen atoms. The integration errors in the total electron population (296 electrons) are +0.0003 e(-) for the direct calculation (+0.0001%) and +0.0022 e(-) for KEM (+0.0007%). The accuracy of the KEM matrix elements is, thus, probably of the order of magnitude of the combined precision of the electronic structure calculation and the atomic integrations. KEM appears capable of delivering not only the total energies with chemical accuracy (which is well documented) but also local and nonlocal properties accurately, including the DIs between the fragments (crossing fragmentation lines). Matrices of the intact ribbon, the kernels, the KEM-reconstructed ribbon, and errors are available as Supporting Information .

  10. Terahertz Photoconductivity of Graphene Nanostructures

    Jensen, Søren A.; Ulbricht, Ronald; Narita, Akimitsu

    2013-01-01

    The photoconductive properties of graphene nanoribbons and carbon nanotubes were studied using optical pump-THz probe spectroscopy. A reduction in conductivity of GNRs compared to CNTs was observed.......The photoconductive properties of graphene nanoribbons and carbon nanotubes were studied using optical pump-THz probe spectroscopy. A reduction in conductivity of GNRs compared to CNTs was observed....

  11. Raman spectra of graphene ribbons

    Saito, R; Furukawa, M; Dresselhaus, G; Dresselhaus, M S

    2010-01-01

    Raman spectra of graphene nanoribbons with zigzag and armchair edges are calculated within non-resonant Raman theory. Depending on the edge structure and polarization direction of the incident and scattered photon beam relative to the edge direction, a symmetry selection rule for the phonon type appears. These Raman selection rules will be useful for the identification of the edge structure of graphene nanoribbons.

  12. Analytical study of bound states in graphene nanoribbons and carbon nanotubes: The variable phase method and the relativistic Levinson theorem

    Miserev, D. S., E-mail: d.miserev@student.unsw.edu.au, E-mail: erazorheader@gmail.com [University of New South Wales, School of Physics (Australia)

    2016-06-15

    The problem of localized states in 1D systems with a relativistic spectrum, namely, graphene stripes and carbon nanotubes, is studied analytically. The bound state as a superposition of two chiral states is completely described by their relative phase, which is the foundation of the variable phase method (VPM) developed herein. Based on our VPM, we formulate and prove the relativistic Levinson theorem. The problem of bound states can be reduced to the analysis of closed trajectories of some vector field. Remarkably, the Levinson theorem appears as the Poincaré index theorem for these closed trajectories. The VPM equation is also reduced to the nonrelativistic and semiclassical limits. The limit of a small momentum p{sub y} of transverse quantization is applicable to an arbitrary integrable potential. In this case, a single confined mode is predicted.

  13. Single-Step Seeded-Growth of Graphene Nanoribbons (GNRs) via Plasma-Enhanced Chemical Vapor Deposition (PECVD)

    Hsu, C.-C.; Yang, K.; Tseng, W.-S.; Li, Yiliang; Li, Yilun; Tour, J. M.; Yeh, N.-C.

    One of the main challenges in the fabrication of GNRs is achieving large-scale low-cost production with high quality. Current techniques, including lithography and unzipped carbon nanotubes, are not suitable for mass production. We have recently developed a single-step PECVD growth process of high-quality graphene sheets without any active heating. By adding some substituted aromatic as seeding molecules, we are able to rapidly grow GNRs vertically on various transition-metal substrates. The morphology and electrical properties of the GNRs are dependent on the growth parameters such as the growth time, gas flow and species of the seeding molecules. On the other hand, all GNRs exhibit strong infrared and optical absorption. From studies of the Raman spectra, scanning electron microscopic images, and x-ray/ultraviolet photoelectron spectra of these GNRs as functions of the growth parameters, we propose a model for the growth mechanism. Our findings suggest that our approach opens up a pathway to large-scale, inexpensive production of GNRs for applications to supercapacitors and solar cells. This work was supported by the Grubstake Award and NSF through IQIM at Caltech.

  14. Efficient spin-filtering, magnetoresistance and negative differential resistance effects of a one-dimensional single-molecule magnet Mn(dmit2-based device with graphene nanoribbon electrodes

    N. Liu

    2017-12-01

    Full Text Available We present first-principle spin-dependent quantum transport calculations in a molecular device constructed by one single-molecule magnet Mn(dmit2 and two graphene nanoribbon electrodes. Our results show that the device could generate perfect spin-filtering performance in a certain bias range both in the parallel configuration (PC and the antiparallel configuration (APC. At the same time, a magnetoresistance effect, up to a high value of 103%, can be realized. Moreover, visible negative differential resistance phenomenon is obtained for the spin-up current of the PC. These results suggest that our one-dimensional molecular device is a promising candidate for multi-functional spintronics devices.

  15. From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport

    Bilić, Ante

    2011-11-17

    A class of molecular ribbons, with almost-ideal charge transmission, that is weakly dependent on the anchoring structure or electrode crystalline orientation and easy to synthesize has been identified. Charge transport through two sets of aromatic nanoribbons, based on the pyrene and perylene motifs, has been investigated using density functional theory combined with the nonequilibrium Green\\'s function method. The effects of wire length and multiple terminal thiolate groups at the junction with gold leads have been examined. For the oligopyrene series, an exponential drop in the conductance with the increase of the wire length is found. In contrast, the oligoperylene series of nanoribbons, with dual thiolate groups, exhibits no visible length dependence, indicating that the contacts are the principal source of the resistance. Between the Au(001) leads, the transmission spectra of the oligoperylenes display a continuum of highly conducting channels and the resulting conductance is nearly independent of the bias. The predictions are robust against artefacts from the exchange-correlation potential, as evidenced from the self-interaction corrected calculations. Therefore, oligoperylene nanoribbons show the potential to be the almost-ideal wires for molecular circuitry. © 2011 American Physical Society.

  16. From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport

    Bilić, Ante; Gale, Julian D.; Sanvito, Stefano

    2011-01-01

    A class of molecular ribbons, with almost-ideal charge transmission, that is weakly dependent on the anchoring structure or electrode crystalline orientation and easy to synthesize has been identified. Charge transport through two sets of aromatic nanoribbons, based on the pyrene and perylene motifs, has been investigated using density functional theory combined with the nonequilibrium Green's function method. The effects of wire length and multiple terminal thiolate groups at the junction with gold leads have been examined. For the oligopyrene series, an exponential drop in the conductance with the increase of the wire length is found. In contrast, the oligoperylene series of nanoribbons, with dual thiolate groups, exhibits no visible length dependence, indicating that the contacts are the principal source of the resistance. Between the Au(001) leads, the transmission spectra of the oligoperylenes display a continuum of highly conducting channels and the resulting conductance is nearly independent of the bias. The predictions are robust against artefacts from the exchange-correlation potential, as evidenced from the self-interaction corrected calculations. Therefore, oligoperylene nanoribbons show the potential to be the almost-ideal wires for molecular circuitry. © 2011 American Physical Society.

  17. Graphene-based spintronic components

    Zeng, Minggang; Shen, Lei; Su, Haibin; Zhou, Miao; Zhang, Chun; Feng, Yuanping

    2010-01-01

    A major challenge of spintronics is in generating, controlling and detecting spin-polarized current. Manipulation of spin-polarized current, in particular, is difficult. We demonstrate here, based on calculated transport properties of graphene nanoribbons, that nearly +-100% spin-polarized current can be generated in zigzag graphene nanoribbons (ZGNRs) and tuned by a source-drain voltage in the bipolar spin diode, in addition to magnetic configurations of the electrodes. This unusual transpor...

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

    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

  19. Amplified solid-state electrochemiluminescence detection of cholesterol in near-infrared range based on CdTe quantum dots decorated multiwalled carbon nanotubes@reduced graphene oxide nanoribbons.

    Huan, Juan; Liu, Qian; Fei, Airong; Qian, Jing; Dong, Xiaoya; Qiu, Baijing; Mao, Hanping; Wang, Kun

    2015-11-15

    An amplified solid-state electrochemiluminescence (ECL) biosensor for detection of cholesterol in near-infrared (NIR) range was constructed based on CdTe quantum dots (QDs) decorated multiwalled carbon nanotubes@reduced graphene nanoribbons (CdTe-MWCNTs@rGONRs), which were prepared by electrostatic interactions. The CdTe QDs decorated on the MWCNTs@rGONRs resulted in the amplified ECL intensity by ~4.5 fold and decreased onset potential by ~100 mV. By immobilization of the cholesterol oxidase (ChOx) and NIR CdTe-MWCNTs@rGONRs on the electrode surface, a solid-state ECL biosensor for cholesterol detection was constructed. When cholesterol was added to the detection solution, the immobilized ChOx catalyzed the oxidation of cholesterol to generate H2O2, which could be used as the co-reactant in the ECL system of CdTe-MWCNTs@rGONRs. The as-prepared biosensor exhibited good performance for cholesterol detection including good reproducibility, selectivity, and acceptable linear range from 1 μM to 1mM with a relative low detection limit of 0.33 μM (S/N=3). The biosensor was successfully applied to the determination of cholesterol in biological fluid and food sample, which would open a new possibility for development of solid-state ECL biosensors with NIR emitters. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Fluorescent "on-off-on" switching sensor based on CdTe quantum dots coupled with multiwalled carbon nanotubes@graphene oxide nanoribbons for simultaneous monitoring of dual foreign DNAs in transgenic soybean.

    Li, Yaqi; Sun, Li; Qian, Jing; Long, Lingliang; Li, Henan; Liu, Qian; Cai, Jianrong; Wang, Kun

    2017-06-15

    With the increasing concern of potential health and environmental risk, it is essential to develop reliable methods for transgenic soybean detection. Herein, a simple, sensitive and selective assay was constructed based on homogeneous fluorescence resonance energy transfer (FRET) between CdTe quantum dots (QDs) and multiwalled carbon nanotubes@graphene oxide nanoribbons (MWCNTs@GONRs) to form the fluorescent "on-off-on" switching for simultaneous monitoring dual target DNAs of promoter cauliflower mosaic virus 35s (P35s) and terminator nopaline synthase (TNOS) from transgenic soybean. The capture DNAs were immobilized with corresponding QDs to obtain strong fluorescent signals (turning on). The strong π-π stacking interaction between single-stranded DNA (ssDNA) probes and MWCNTs@GONRs led to minimal background fluorescence due to the FRET process (turning off). The targets of P35s and TNOS were recognized by dual fluorescent probes to form double-stranded DNA (dsDNA) through the specific hybridization between target DNAs and ssDNA probes. And the dsDNA were released from the surface of MWCNTs@GONRs, which leaded the dual fluorescent probes to generate the strong fluorescent emissions (turning on). Therefore, this proposed homogeneous assay can be achieved to detect P35s and TNOS simultaneously by monitoring the relevant fluorescent emissions. Moreover, this assay can distinguish complementary and mismatched nucleic acid sequences with high sensitivity. The constructed approach has the potential to be a tool for daily detection of genetically modified organism with the merits of feasibility and reliability. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Symmetries and band gaps in nanoribbons

    Zhang, Zhiwei; Tian, Yiteng; Fernando, Gayanath; Kocharian, Armen

    In ideal graphene-like systems, time reversal and sublattice symmetries preserve the degeneracies at the Dirac point(s). We have examined such degeneracies in the band structure as well as the transport properties in various arm-twisted (graphene-related) nanoribbons. A twist angle is defined such that at 0 degrees the ribbon is a rectangular ribbon and at 60 degrees the ribbon is cut from a honeycomb lattice. Using model Hamiltonians and first principles calculations in these nanoribbons with Z2 topology, we have monitored the band structure as a function of the twist angle θ. In twisted ribbons, it turns out that the introduction of an extra hopping term leads to a gap opening. We have also calculated the size and temperature broadening effects in similar ribbons in addition to Rashba-induced transport properties. The authors acknowledge the computing facilities provided by the Center for Functional Nanomaterials, Brookhaven National Laboratory supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No.DE-AC02- 98CH10886.

  2. Synthesis and Application of Graphene Based Nanomaterials

    Peng, Zhiwei

    Graphene, a two-dimensional sp2-bonded carbon material, has recently attracted major attention due to its excellent electrical, optical and mechanical properties. Depending on different applications, graphene and its derived hybrid nanomaterials can be synthesized by either bottom-up chemical vapor deposition (CVD) methods for electronics, or various top-down chemical reaction methods for energy generation and storage devices. My thesis begins with the investigation of CVD synthesis of graphene thin films in Chapter 1, including the direct growth of bilayer graphene on insulating substrates and synthesis of "rebar graphene": a hybrid structure with graphene and carbon or boron nitride nanotubes. Chapter 2 discusses the synthesis of nanoribbon-shaped materials and their applications, including splitting of vertically aligned multi-walled carbon nanotube carpets for supercapacitors, synthesis of dispersable ferromagnetic graphene nanoribbon stacks with enhanced electrical percolation properties in magnetic field, graphene nanoribbon/SnO 2 nanocomposite for lithium ion batteries, and enhanced electrocatalysis for hydrogen evolution reactions from WS2 nanoribbons. Next, Chapter 3 discusses graphene coated iron oxide nanomaterials and their use in energy storage applications. Finally, Chapter 4 introduces the development, characterization, and fabrication of laser induced graphene and its application as supercapacitors.

  3. Plasmon polaritons in nanostructured graphene

    Xiao, Sanshui

    2013-01-01

    Graphene has attracted considerable attention due to its unique electronic and optical properties. When graphene is electrically/chemically doped, it can support surface plasmon where the light propagates along the surface with a very short wavelength and an extremely small mode volume. The optical...... properties of graphene can be tuned by electrical gating, thus proving a promising way to realize a tunable plasmonic material. We firstly investigate the performance of bends and splitters in graphene nanoribbon waveguides, and show that bends and splitters do not induce any additional loss provided...... that the nanoribbon width is sub-wavelength. Then we experimentally demonstrate the excitation of graphene plasmon polaritons in a continuous graphene monolayer resting on a two-dimensional subwavelength silicon grating. The silicon grating is realized by a nanosphere lithography technique with a self...

  4. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Y. N. Wu

    2017-09-01

    Full Text Available Based on the density functional theory combined with the nonequilibrium Green’s function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs and the composite of AGNRs and single walled carbon nanotubes (SWCNTs were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6 increases in the presence of the wrinkle, which is opposite to that of AGNR(5 and AGNR(7. The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  5. Electronic structure and transport properties of quasi-one-dimensional carbon nanomaterials

    Wu, Y. N.; Cheng, P.; Wu, M. J.; Zhu, H.; Xiang, Q.; Ni, J.

    2017-09-01

    Based on the density functional theory combined with the nonequilibrium Green's function, the influence of the wrinkle on the electronic structures and transport properties of quasi-one-dimensional carbon nanomaterials have been investigated, in which the wrinkled armchair graphene nanoribbons (wAGNRs) and the composite of AGNRs and single walled carbon nanotubes (SWCNTs) were considered with different connection of ripples. The wrinkle adjusts the electronic structures and transport properties of AGNRs. With the change of the strain, the wAGNRs for three width families reveal different electrical behavior. The band gap of AGNR(6) increases in the presence of the wrinkle, which is opposite to that of AGNR(5) and AGNR(7). The transport of AGNRs with the widths 6 or 7 has been modified by the wrinkle, especially by the number of isolated ripples, but it is insensitive to the strain. The nanojunctions constructed by AGNRs and SWCNTs can form the quantum wells, and some specific states are confined in wAGNRs. Although these nanojunctions exhibit the metallic, they have poor conductance due to the wrinkle. The filling of C20 into SWCNT has less influence on the electronic structure and transport of the junctions. The width and connection type of ripples have greatly influenced on the electronic structures and transport properties of quasi-one-dimensional nanomaterials.

  6. Graphene-based magnetless converter of terahertz wave polarization

    Melnikova, Veronica S.; Polischuk, Olga V.; Popov, Vyacheslav V.

    2016-04-01

    The polarization conversion of terahertz radiation by the periodic array of graphene nanoribbons located at the surface of a high-refractive-index dielectric substrate (terahertz prism) is studied theoretically. Giant polarization conversion at the plasmon resonance frequencies takes place without applying external DC magnetic field. It is shown that the total polarization conversion can be reached at the total internal reflection of THz wave from the periodic array of graphene nanoribbons even at room temperature.

  7. FOCUS ON GRAPHENE

    Peres, N M R; Ribeiro, Ricardo M

    2009-01-01

    Graphene physics is currently one of the most active research areas in condensed matter physics. Countless theoretical and experimental studies have already been performed, targeting electronic, magnetic, thermal, optical, structural and vibrational properties. Also, studies that modify pristine graphene, aiming at finding new physics and possible new applications, have been considered. These include patterning nanoribbons and quantum dots, exposing graphene's surface to different chemical species, studying multilayer systems, and inducing strain and curvature (modifying in this way graphene's electronic properties). This focus issue includes many of the latest developments on graphene research. Focus on Graphene Contents The effect of sublattice symmetry breaking on the electronic properties of doped graphene A Qaiumzadeh and R Asgari Interfaces within graphene nanoribbons J Wurm, M Wimmer, I Adagideli, K Richter and H U Baranger Weak localization and transport gap in graphene antidot lattices J Eroms and D Weiss Electronic properties of graphene antidot lattices J A Fuerst, J G Pedersen, C Flindt, N A Mortensen, M Brandbyge, T G Pedersen and A-P Jauho Splitting of critical energies in the n=0 Landau level of graphene Ana L C Pereira Double-gated graphene-based devices S Russo, M F Craciun, M Yamamoto, S Tarucha and A F Morpurgo Pinning and switching of magnetic moments in bilayer graphene Eduardo V Castro, M P Lopez-Sancho and M A H Vozmediano Electronic transport properties of graphene nanoribbons Katsunori Wakabayashi, Yositake Takane, Masayuki Yamamoto and Manfred Sigrist Many-body effects on out-of-plane phonons in graphene J Gonzalez and E Perfetto Graphene zigzag ribbons, square lattice models and quantum spin chains Mahdi Zarea and Nancy Sandler On the universal ac optical background in graphene V P Gusynin, S G Sharapov and J P Carbotte Heat conduction in graphene: experimental study and theoretical interpretation S Ghosh, D L Nika, E P Pokatilov and A A

  8. Classical and quantum plasmonics in graphene nanodisks

    Christensen, Thomas; Wang, Weihua; Jauho, Antti-Pekka

    2014-01-01

    Edge states are ubiquitous for many condensed matter systems with multicomponent wave functions. For example, edge states play a crucial role in transport in zigzag graphene nanoribbons. Here, we report microscopic calculations of quantum plasmonics in doped graphene nanodisks with zigzag edges. We...

  9. Graphene antidot lattice waveguides

    Pedersen, Jesper Goor; Gunst, Tue; Markussen, Troels

    2012-01-01

    We introduce graphene antidot lattice waveguides: nanostructured graphene where a region of pristine graphene is sandwiched between regions of graphene antidot lattices. The band gaps in the surrounding antidot lattices enable localized states to emerge in the central waveguide region. We model...... the waveguides via a position-dependent mass term in the Dirac approximation of graphene and arrive at analytical results for the dispersion relation and spinor eigenstates of the localized waveguide modes. To include atomistic details we also use a tight-binding model, which is in excellent agreement...... with the analytical results. The waveguides resemble graphene nanoribbons, but without the particular properties of ribbons that emerge due to the details of the edge. We show that electrons can be guided through kinks without additional resistance and that transport through the waveguides is robust against...

  10. Topological Insulator Nanowires and Nanoribbons

    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.

  11. Huge Trionic Effects in Graphene Nanoribbons

    Deilmann, Thorsten; Rohlfing, Michael

    2017-01-01

    V for widths of 14.6-3.6 Å. Both for the trions and for the excitons, we observe an almost linear dependency of their binding energies on the band gap. We observe several trion states with different character derived from the corresponding excitons. Because of the large bindings energies, this opens a route...

  12. Novel graphene-based nanostructures: physicochemical properties and applications

    Chernozatonskii, L A; Sorokin, P B; Artukh, A A

    2014-01-01

    The review concerns graphene-based nanostructures including graphene nanoribbons a few nanometres wide, structures functionalized with hydrogen and fluorine atoms as well as pure carbon composites. The physicochemical properties and the chemical engineering methods for their fabrication are considered. Methods for solving problems in modern nanotechnology are discussed. Possible applications of graphene and graphene-based nanostructures in various devices are outlined. The bibliography includes 286 references

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

    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.

  14. Photocatalytic Nanostructuring of Graphene Guided by Block Copolymer Self-Assembly

    Wang, Zhongli; Li, Tao; Schulte, Lars

    2016-01-01

    graphene nanomesh was fabricated by photocatalysis of single-layer graphene suspended on top of TiO2-covered nanopillars, which were produced by combining block copolymer nanolithography with atomic layer deposition. Graphene nanoribbons were also prepared by the same method applied to a line-forming block...

  15. Large Current Modulation and Spin-Dependent Tunneling of Vertical Graphene/MoS$_{2}$ Heterostructures

    Myoung, Nojoon; Seo, Kyungchul; Lee, Seung Joo; Ihm, Gukhyung

    2013-01-01

    Vertical graphene heterostructures have been introduced as an alternative architecture for electronic devices by using quantum tunneling. Here, we present that the current on/off ratio of vertical graphene field-effect transistors is enhanced by using an armchair graphene nanoribbon as an electrode. Moreover, we report spin-dependent tunneling current of the graphene/MoS2 heterostructures. When an atomically thin MoS2 layer sandwiched between graphene electrodes becomes magnetic, Dirac fermio...

  16. Topological and Energetic Conditions for Lithographic Production of Carbon Nanotubes from Graphene

    D. Fülep

    2015-01-01

    Full Text Available Density Functional Based Tight-Binding (DFTB molecular dynamics (MD simulations were performed for producing carbon nanotubes from graphene nanoribbons. The constant temperature simulations were controlled with the help of Nosé-Hoover thermostat. In our systematic study we obtained critical curvature energies and determined topological conditions for nanotube production from two parallel graphene nanoribbons. We obtained linear relationship between the curvature energy and the square of the curvature.

  17. Modeling of inter-ribbon tunneling in graphene

    Van de Put, Maarten L.; Vandenberghe, William G.; Sorée, Bart; Magnus, Wim; Fischetti, Massimo

    2015-01-01

    The tunneling current between two crossed graphene ribbons is described invoking the empirical pseudopotential approximation and the Bardeen transfer Hamiltonian method. Results indicate that the density of states is the most important factor determining the tunneling current between small (nm) ribbons. The quasi-one dimensional nature of graphene nanoribbons is shown to result in resonant tunneling.

  18. Flexoelectricity in PZT Nanoribbons and Biomembranes

    2015-01-09

    Flexoelectricity in PZT Nanoribbons and Biomembranes The objective of this grant was to study flexoelectric phenomena in solids and in biomembranes...Flexoelectricity in PZT Nanoribbons and Biomembranes Report Title The objective of this grant was to study flexoelectric phenomena in solids and...producing PZT nanoribbons for energy harvesters. (a) Papers published in peer-reviewed journals (N/A for none) Enter List of papers submitted or

  19. Transport Properties of Nanostructured Graphene

    Jauho, Antti-Pekka

    2017-01-01

    Despite of its many wonderful properties, pristine graphene has one major drawback: it does not have a band gap, which complicates its applications in electronic devices. Many routes have been suggested to overcome this difficulty, such as cutting graphene into nanoribbons, using chemical methods...... device operation. In this talk I elaborate these ideas and review the state-of-the-art both from the theoretical and the experimental points of view. I also introduce two new ideas: (1) triangular antidots, and (2) nanobubbles formed in graphene. Both of these nanostructuring methods are predicted...

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

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

    2018-05-01

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

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

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

    2018-03-01

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

  2. Transport and dynamics of nanostructured graphene

    Gunst, Tue

    This thesis is concerned with the heating and electronic properties of nanoscale devices based on nanostructured graphene. As electronic devices scale down to nanometer dimensions, the operation depends on the detailed atomic structure. Emerging carbon nano-materials such as graphene, carbon...... nanotubes and graphene nanoribbons, exhibit promising electronic and heat transport properties. Much research addresses the electron mobility of pristine graphene devices. However, the thermal transport properties, as well as the effects of e-ph interaction, in nanoscale devices, based on nanostructured...... graphene, have received much less attention. This thesis contributes to the understanding of the thermal properties of nanostructured graphene. The computational analysis is based on DFT/TB-NEGF. We show how a regular nanoperforation of a graphene layer - a graphene antidot lattice (GAL) - may...

  3. Electron Interference in Ballistic Graphene Nanoconstrictions

    Baringhaus, Jens; Settnes, Mikkel; Aprojanz, Johannes

    2016-01-01

    We realize nanometer size constrictions in ballistic graphene nanoribbons grown on sidewalls of SiC mesa structures. The high quality of our devices allows the observation of a number of electronic quantum interference phenomena. The transmissions of Fabry-Perot-like resonances are probed...

  4. Energy Guiding and Harvesting through Phonon-Engineered Graphene

    2016-01-28

    Graphene The views, opinions and/or findings contained in this report are those of the author(s) and should not contrued as an official Department of the...ABSTRACT Final Report: Energy Guiding and Harvesting through Phonon-Engineered Graphene Report Title The work performed under this proposal was primarily...Justin Wu, Xinran Wang, Kristof Tahy, Debdeep Jena, Hongjie Dai, Eric Pop. Thermally Limited Current Carrying Ability of Graphene Nanoribbons

  5. Exploring the formation and electronic structure properties of the g-C3N4 nanoribbon with density functional theory.

    Wu, Hong-Zhang; Zhong, Qing-Hua; Bandaru, Sateesh; Liu, Jin; Lau, Woon Ming; Li, Li-Li; Wang, Zhenling

    2018-04-18

    The optical properties and condensation degree (structure) of polymeric g-C 3 N 4 depend strongly on the process temperature. For polymeric g-C 3 N 4 , its structure and condensation degree depend on the structure of molecular strand(s). Here, the formation and electronic structure properties of the g-C 3 N 4 nanoribbon are investigated by studying the polymerization and crystallinity of molecular strand(s) employing first-principle density functional theory. The calculations show that the width of the molecular strand has a significant effect on the electronic structure of polymerized and crystallized g-C 3 N 4 nanoribbons, a conclusion which would be indirect evidence that the electronic structure depends on the structure of g-C 3 N 4 . The edge shape also has a distinct effect on the electronic structure of the crystallized g-C 3 N 4 nanoribbon. Furthermore, the conductive band minimum and valence band maximum of the polymeric g-C 3 N 4 nanoribbon show a strong localization, which is in good agreement with the quasi-monomer characters. In addition, molecular strands prefer to grow along the planar direction on graphene. These results provide new insight on the properties of the g-C 3 N 4 nanoribbon and the relationship between the structure and properties of g-C 3 N 4 .

  6. On the buckling of hexagonal boron nitride nanoribbons via structural mechanics

    Giannopoulos, Georgios I.

    2018-03-01

    Monolayer hexagonal boron nitride nanoribbons have similar crystal structure as graphene nanoribbons, have excellent mechanical, thermal insulating and dielectric properties and additionally present chemical stability. These allotropes of boron nitride can be used in novel applications, in which graphene is not compatible, to achieve remarkable performance. The purpose of the present work is to provide theoretical estimations regarding the buckling response of hexagonal boron nitride monolayer under compressive axial loadings. For this reason, a structural mechanics method is formulated which employs the exact equilibrium atomistic structure of the specific two-dimensional nanomaterial. In order to represent the interatomic interactions appearing between boron and nitrogen atoms, the Dreiding potential model is adopted which is realized by the use of three-dimensional, two-noded, spring-like finite elements of appropriate stiffness matrices. The critical compressive loads that cause the buckling of hexagonal boron nitride nanoribbons are computed with respect to their size and chirality while some indicative buckled shapes of them are illustrated. Important conclusions arise regarding the effect of the size and chirality on the structural stability of the hexagonal boron nitride monolayers. An analytical buckling formula, which provides good fitting of the numerical outcome, is proposed.

  7. Raman spectroscopy in graphene

    Malard, L.M.; Pimenta, M.A.; Dresselhaus, G.; Dresselhaus, M.S.

    2009-01-01

    Recent Raman scattering studies in different types of graphene samples are reviewed here. We first discuss the first-order and the double resonance Raman scattering mechanisms in graphene, which give rise to the most prominent Raman features. The determination of the number of layers in few-layer graphene is discussed, giving special emphasis to the possibility of using Raman spectroscopy to distinguish a monolayer from few-layer graphene stacked in the Bernal (AB) configuration. Different types of graphene samples produced both by exfoliation and using epitaxial methods are described and their Raman spectra are compared with those of 3D crystalline graphite and turbostratic graphite, in which the layers are stacked with rotational disorder. We show that Resonance Raman studies, where the energy of the excitation laser line can be tuned continuously, can be used to probe electrons and phonons near the Dirac point of graphene and, in particular allowing a determination to be made of the tight-binding parameters for bilayer graphene. The special process of electron-phonon interaction that renormalizes the phonon energy giving rise to the Kohn anomaly is discussed, and is illustrated by gated experiments where the position of the Fermi level can be changed experimentally. Finally, we discuss the ability of distinguishing armchair and zig-zag edges by Raman spectroscopy and studies in graphene nanoribbons in which the Raman signal is enhanced due to resonance with singularities in the density of electronic states.

  8. Bipolar magnetic semiconductor in silicene nanoribbons

    Farghadan, Rouhollah

    2017-01-01

    Highlights: • A new electronic phase for silicene nanoribbon in the presence of electric and magnetic fields. • Bipolar magnetic semiconductor with controllable spin-flip and spin-conserved gaps in silicene. • Robust bipolar magnetic semiconductor features in a rough silicene. • Perfect and reversible spin polarization in silicene nanoribbon junctions. - Abstract: 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.

  9. Bipolar magnetic semiconductor in silicene nanoribbons

    Farghadan, Rouhollah, E-mail: rfarghadan@kashanu.ac.ir

    2017-08-01

    Highlights: • A new electronic phase for silicene nanoribbon in the presence of electric and magnetic fields. • Bipolar magnetic semiconductor with controllable spin-flip and spin-conserved gaps in silicene. • Robust bipolar magnetic semiconductor features in a rough silicene. • Perfect and reversible spin polarization in silicene nanoribbon junctions. - Abstract: 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.

  10. Manifestation of plasmonic response in the detection of sub-terahertz radiation by graphene-based devices

    Gayduchenko, I. A.; Fedorov, G. E.; Moskotin, M. V.; Yagodkin, D. I.; Seliverstov, S. V.; Goltsman, G. N.; Kuntsevich, A. Yu; Rybin, M. G.; Obraztsova, E. D.; Leiman, V. G.; Shur, M. S.; Otsuji, T.; Ryzhii, V. I.

    2018-06-01

    We report on the sub-terahertz (THz) (129–450 GHz) photoresponse of devices based on single layer graphene and graphene nanoribbons with asymmetric source and drain (vanadium and gold) contacts. Vanadium forms a barrier at the graphene interface, while gold forms an Ohmic contact. We find that at low temperatures (77 K) the detector responsivity rises with the increasing frequency of the incident sub-THz radiation. We interpret this result as a manifestation of a plasmonic effect in the devices with the relatively long plasmonic wavelengths. Graphene nanoribbon devices display a similar pattern, albeit with a lower responsivity.

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

    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.

  12. Mechanical properties of phosphorene nanoribbons and oxides

    Hao, Feng; Chen, Xi

    2015-01-01

    Mechanical properties of phosphorene nanoribbons and oxides are investigated by using density functional theory. It is found that the ideal strength of nanoribbon decreases in comparison with that of 2D phosphorene. The Young's modulus of armchair nanoribbon has a remarkable size effect because of the edge relaxations. The analysis of the stress-strain relation indicates that, owing to chemisorbed oxygen atoms, the ideal strength and Young's modulus of 2D phosphorene oxide are greatly reduced along the zigzag direction, especially upon high oxidation ratios. In addition, strain and oxidation have significant impacts on phonon dispersion

  13. Mechanical properties of phosphorene nanoribbons and oxides

    Hao, Feng [Department of Earth and Environmental Engineering, Columbia University, New York, New York 10027 (United States); Chen, Xi, E-mail: xichen@columbia.edu [International Center for Applied Mechanics, SV Laboratory, School of Aerospace, Xi' an Jiaotong University, Xi' an 710049 (China); Department of Earth and Environmental Engineering, Columbia University, New York, New York 10027 (United States)

    2015-12-21

    Mechanical properties of phosphorene nanoribbons and oxides are investigated by using density functional theory. It is found that the ideal strength of nanoribbon decreases in comparison with that of 2D phosphorene. The Young's modulus of armchair nanoribbon has a remarkable size effect because of the edge relaxations. The analysis of the stress-strain relation indicates that, owing to chemisorbed oxygen atoms, the ideal strength and Young's modulus of 2D phosphorene oxide are greatly reduced along the zigzag direction, especially upon high oxidation ratios. In addition, strain and oxidation have significant impacts on phonon dispersion.

  14. Graphene quantum interference photodetector

    Mahbub Alam

    2015-03-01

    Full Text Available In this work, a graphene quantum interference (QI photodetector was simulated in two regimes of operation. The structure consists of a graphene nanoribbon, Mach–Zehnder interferometer (MZI, which exhibits a strongly resonant transmission of electrons of specific energies. In the first regime of operation (that of a linear photodetector, low intensity light couples two resonant energy levels, resulting in scattering and differential transmission of current with an external quantum efficiency of up to 5.2%. In the second regime of operation, full current switching is caused by the phase decoherence of the current due to a strong photon flux in one or both of the interferometer arms in the same MZI structure. Graphene QI photodetectors have several distinct advantages: they are of very small size, they do not require p- and n-doped regions, and they exhibit a high external quantum efficiency.

  15. Pseudospin Electronics in Phosphorene Nanoribbons

    Soleimanikahnoj, S.; Knezevic, I.

    2017-12-01

    Zigzag phosphorene nanoribbons are metallic owing to the edge states, whose energies are inside the gap and far from the bulk bands. We show that—through electrical manipulation of edge states—electron propagation can be restricted to one of the ribbon edges or, in the case of bilayer phosphorene nanoribbons, to one of the layers. This finding implies that edge and layer can be regarded as tunable equivalents of the spin-one-half degree of freedom, i.e., the pseudospin. In both layer- and edge-pseudospin schemes, we propose and characterize a pseudospin field-effect transistor, which can generate pseudospin-polarized current. Also, we propose edge- and layer-pseudospin valves that operate analogously to conventional spin valves. The performance of valves in each pseudospin scheme is benchmarked by the pseudomagnetoresistance ratio. The edge-pseudospin valve shows a nearly perfect pseudomagnetoresistance ratio, with remarkable robustness against device-parameter variation and disorder. These results may initiate new developments in pseudospin electronics.

  16. Quantum nature of edge magnetism in graphene.

    Golor, Michael; Wessel, Stefan; Schmidt, Manuel J

    2014-01-31

    It is argued that the subtle crossover from decoherence-dominated classical magnetism to fluctuation-dominated quantum magnetism is experimentally accessible in graphene nanoribbons. We show that the width of a nanoribbon determines whether the edge magnetism is on the classical side, on the quantum side, or in between. In the classical regime, decoherence is dominant and leads to static spin polarizations at the ribbon edges, which are well described by mean-field theories. The quantum Zeno effect is identified as the basic mechanism which is responsible for the spin polarization and thereby enables the application of graphene in spintronics. On the quantum side, however, the spin polarization is destroyed by dynamical processes. The great tunability of graphene magnetism thus offers a viable route for the study of the quantum-classical crossover.

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

    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.

  18. Graphene Thermal Properties: Applications in Thermal Management and Energy Storage

    Jackie D. Renteria

    2014-11-01

    Full Text Available We review the thermal properties of graphene, few-layer graphene and graphene nanoribbons, and discuss practical applications of graphene in thermal management and energy storage. The first part of the review describes the state-of-the-art in the graphene thermal field focusing on recently reported experimental and theoretical data for heat conduction in graphene and graphene nanoribbons. The effects of the sample size, shape, quality, strain distribution, isotope composition, and point-defect concentration are included in the summary. The second part of the review outlines thermal properties of graphene-enhanced phase change materials used in energy storage. It is shown that the use of liquid-phase-exfoliated graphene as filler material in phase change materials is promising for thermal management of high-power-density battery parks. The reported experimental and modeling results indicate that graphene has the potential to outperform metal nanoparticles, carbon nanotubes, and other carbon allotropes as filler in thermal management materials.

  19. Electronic properties of mesoscopic graphene structures: Charge confinement and control of spin and charge transport

    Rozhkov, A.V., E-mail: arozhkov@gmail.co [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412, Moscow (Russian Federation); Giavaras, G. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Bliokh, Yury P. [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Freilikher, Valentin [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, Bar-Ilan University, Ramat-Gan 52900 (Israel); Nori, Franco [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Department of Physics, University of Michigan, Ann Arbor, MI 48109-1040 (United States)

    2011-06-15

    This brief review discusses electronic properties of mesoscopic graphene-based structures. These allow controlling the confinement and transport of charge and spin; thus, they are of interest not only for fundamental research, but also for applications. The graphene-related topics covered here are: edges, nanoribbons, quantum dots, pn-junctions, pnp-structures, and quantum barriers and waveguides. This review is partly intended as a short introduction to graphene mesoscopics.

  20. Graphene: A wonder-Structure of Carbon

    Ciraci, S.

    2008-01-01

    Three-dimensional diamond and graphite; one-dimensional carbon nanotubes and carbon chains; zero dimensional bucky balls: these structures of carbon have dominated science in different periods of time. The dimensionality of these structures has played a prime rol in determining their mechanical and electronic properties. In particular, carbon nanotubes with their unusual properties depending on their diameter and chirality have been one of the most studied nanostructures in the last decade. For a long time, the missing two-dimensional structure of carbon has been considered to be unstable. Recently, the synthesis of graphene, a two-dimensional honeycomb lattice of carbon disproved the earlier theories conjecturing the instability in two-dimension. Not only the unexpected stability and very high strength, but also its unusual electronic and magnetic properties have made graphene a wonder-structure. Because of linear electron and hole bands crossing at the Fermi level the electrons in graphene have very high mobility and behave as if a massless Dirac Fermion. This behavior makes us to expect to observe the Klein paradox, it is perhaps the most unusual quantum behavior. Graphene pieces may serve as a framework for functionalized structures, such as high capacity hydrogen storage medium. Quasi-one dimensional graphene nanoribbons, which can be produced down to sub nanometer width exhibit exceptional physical properties. Depending on their chirality, graphene nanoribbons can be nonmagnetic or antiferromagnetic semiconductor. However, antiferromagnetic semiconductor by itself can be modified to be ferrimagnetic metal through periodic vacancies or to be half-metal through applied electric field. If one modulates their width in direct space, confined states are generated even with a local spin direction. Quantum structures made by nanoribbons of different width or composition exhibit a wide range of electrical and magnetic properties to be exploited in nanoelectronics and

  1. Enhanced optical limiting effects of graphene materials in polyimide

    Gan, Yao; Feng, Miao; Zhan, Hongbing

    2014-01-01

    Three different graphene nanostructure suspensions of graphene oxide nanosheets (GONSs), graphene oxide nanoribbons (GONRs), and graphene oxide quantum dots (GOQDs) are prepared and characterized. Using a typical two-step method, the GONSs, GONRs, and GOQDs are incorporated into a polyimide (PI) matrix to synthesize graphene/PI composite films, whose nonlinear optical (NLO) and optical limiting (OL) properties are investigated at 532 nm in the nanosecond regime. The GONR suspension exhibits superior NLO and OL effects compared with those of GONSs and GOQDs because of its stronger nonlinear scattering and excited-state absorption. The graphene/PI composite films exhibit NLO and OL performance superior to that of their corresponding suspensions, which is attributed primarily to a combination of nonlinear mechanisms, charge transfer between graphene materials and PI, and the matrix effect

  2. Grassy Silica Nanoribbons and Strong Blue Luminescence

    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.

  3. EDITORIAL: Special issue on Graphene Special issue on Graphene

    Morpurgo, Alberto F.; Trauzettel, Björn

    2010-03-01

    and effectively reflect the status of different areas of graphene research. The excitonic condensation in a double graphene system is discussed by Kharitonov and Efetov. Borca et al report on a method to fabricate and characterize graphene monolayers epitaxially grown on Ru(0001). Furthermore, the energy and transport gaps in etched graphene nanoribbons are analyzed experimentally by Molitor et al. Mucha-Kruczyński et al review the tight-binding model of bilayer graphene, whereas Wurm et al focus on a theoretical description of the Aharonov-Bohm effect in monolayer graphene rings. Screening effects and collective excitations are studied by Roldán et al. Subsequently, Palacios et al review the electronic and magnetic structures of graphene nanoribbons, a problem that is highly relevant for graphene-based transistors. Klein tunneling in single and multiple barriers in graphene is the topic of the review article by Pereira Jr et al, while De Martino and Egger discuss the spectrum of a magnetic quantum dot in graphene. Titov et al study the effect of resonant scatterers on the local density of states in a rectangular graphene setup with metallic leads. Finally, the resistance modulation of multilayer graphene controlled by gate electric fields is experimentally analyzed by Miyazaki et al. We would like to thank all the authors for their contributions, which combine new results and pedagogical discussions of the state-of-the-art in different areas: it is this combination that most often adds to the value of topical issues. Special thanks also goes to the staff of Institute of Physics Publishing for contributing to the success of this effort.

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

    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.

  5. Scalable Patterning of MoS2Nanoribbons by Micromolding in Capillaries

    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.

  6. Twin lead ballistic conductor based on nanoribbon edge transport

    Konôpka, Martin; Dieška, Peter

    2018-03-01

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

  7. Graphene spin capacitor for magnetic field sensing

    Semenov, Y. G.; Zavada, J. M.; Kim, K. W.

    2010-01-01

    An analysis of a novel magnetic field sensor based on a graphene spin capacitor is presented. The proposed device consists of graphene nanoribbons on top of an insulator material connected to a ferromagnetic source/drain. The time evolution of spin polarized electrons injected into the capacitor can be used for an accurate determination at room temperature of external magnetic fields. Assuming a spin relaxation time of 100 ns, magnetic fields on the order of $\\sim 10$ mOe may be detected at r...

  8. Magnetoresistance of Mn-decorated topological line defects in graphene

    Obodo, Tobechukwu Joshua

    2015-01-13

    We study the spin polarized transport through Mn-decorated 8-5-5-8 topological line defects in graphene using the nonequilibrium Green\\'s function formalism. Strong preferential bonding overcomes the high mobility of transition metal atoms on graphene and results in stable structures. Despite a large distance between the magnetic centers, we find a high magnetoresistance and attribute this unexpected property to very strong induced π magnetism, in particular for full coverage of all octagonal hollow sites by Mn atoms. In contrast to the magnetoresistance of graphene nanoribbon edges, the proposed system is well controlled and therefore suitable for applications.

  9. Magnetoresistance of Mn-decorated topological line defects in graphene

    Obodo, Tobechukwu Joshua; Kahaly, M. Upadhyay; Schwingenschlö gl, Udo

    2015-01-01

    We study the spin polarized transport through Mn-decorated 8-5-5-8 topological line defects in graphene using the nonequilibrium Green's function formalism. Strong preferential bonding overcomes the high mobility of transition metal atoms on graphene and results in stable structures. Despite a large distance between the magnetic centers, we find a high magnetoresistance and attribute this unexpected property to very strong induced π magnetism, in particular for full coverage of all octagonal hollow sites by Mn atoms. In contrast to the magnetoresistance of graphene nanoribbon edges, the proposed system is well controlled and therefore suitable for applications.

  10. Graphene-based superconducting quantum point contacts

    Moghaddam, A.G.; Zareyan, M.

    2007-01-01

    We investigate the Josephson effect in the graphene nanoribbons of length L smaller than the superconducting coherence length and an arbitrary width W. We find that in contrast to an ordinary superconducting quantum point contact (SQPC), the critical supercurrent I c is not quantized for the nanoribbons with smooth and armchair edges. For a low concentration of the carriers, I c decreases monotonically with lowering W/L and tends to a constant minimum for a narrow nanoribbon with W c is zero for the smooth edges but eΔ 0 /ℎ for the armchair edges. At higher concentrations of the carriers this monotonic variation acquires a series of peaks. Further analysis of the current-phase relation and the Josephson coupling strength I c R N in terms of W/L and the concentration of carriers revels significant differences with those of an ordinary SQPC. On the other hand for a zigzag nanoribbon, we find that, similar to an ordinary SQPC, I c is quantized but to the half-integer values (n+1/2)4eΔ 0 /ℎ. (orig.)

  11. Phosphorene nanoribbon as a promising candidate for thermoelectric applications

    Zhang, J.; Liu, H. J.; Cheng, L.; Wei, J.; Liang, J. H.; Fan, D. D.; Shi, J.; Tang, X. F.; Zhang, Q. J.

    2014-01-01

    In this work, the electronic properties of phosphorene nanoribbons with different width and edge configurations are studied by using density functional theory. It is found that the armchair phosphorene nanoribbons are semiconducting while the zigzag nanoribbons are metallic. The band gaps of armchair nanoribbons decrease monotonically with increasing ribbon width. By passivating the edge phosphorus atoms with hydrogen, the zigzag series also become semiconducting, while the armchair series exhibit a larger band gap than their pristine counterpart. The electronic transport properties of these phosphorene nanoribbons are then investigated using Boltzmann theory and relaxation time approximation. We find that all the semiconducting nanoribbons exhibit very large values of Seebeck coefficient and can be further enhanced by hydrogen passivation at the edge. Taking pristine armchair nanoribbons and hydrogen-passivated zigzag naoribbons with width N = 7, 8, 9 as examples, we calculate the lattice thermal conductivity with the help of phonon Boltzmann transport equation and evaluate the width-dependent thermoelectric performance. Due to significantly enhanced Seebeck coefficient and decreased thermal conductivity, we find that at least one type of phosphorene nanoribbons can be optimized to exhibit very high figure of merit (ZT values) at room temperature, which suggests their appealing thermoelectric applications. PMID:25245326

  12. Graphene: from functionalization to devices

    Tejeda, Antonio; Soukiassian, Patrick G.

    2014-03-01

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

  13. Electronic transport in graphene-based structures: An effective cross-section approach

    Uppstu, Andreas; Saloriutta, Karri; Harju, Ari

    2012-01-01

    We show that transport in low-dimensional carbon structures with finite concentrations of scatterers can be modeled by utilizing scaling theory and effective cross sections. Our results are based on large-scale numerical simulations of carbon nanotubes and graphene nanoribbons, using a tight...

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

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

    2016-01-01

    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. PMID:27897230

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

    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.

  16. Ultrafast Photoconductivity of Graphene Nanoribbons and Carbon Nanotubes

    Jensen, Søren A.; Ulbricht, Ronald; Narita, Akimitsu

    2013-01-01

    carbon nanotubes (CNTs) with a similar bandgap energy. Transient photoconductivities of both materials were measured using time-resolved terahertz spectroscopy, allowing for contact-free measurements of complex-valued photoconductivity spectra with subpicosecond time-resolution. We show that, while...

  17. type doping in the channel of graphene nanoribbon

    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 ...

  18. Kerr nonlinearity and plasmonic bistability in graphene nanoribbons

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

    2015-01-01

    due to field enhancement, and the total nonlinearity is significantly affected by the field inhomogeneity of the plasmonic excitation. Finally, we discuss the emergence of a plasmonic bistability which exists for energies red-shifted relative to the linear resonance. Our results offer insights...

  19. Quantum capacitance of the armchair-edge graphene nanoribbon

    system for fundamental studies of condensed matter and quantum physics [1] and a fasci- nating building block for ... the Fermi–Dirac distribution function and EG is the band gap. The semiconducting ... Here, we define n as the number of the ...

  20. First-principles study of graphene edge properties and flake shapes

    Gan, Chee Kwan; Srolovitz, David J.

    2009-01-01

    We use density functional theory to determine the equilibrium shape of graphene flakes, through the calculation of the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a nearly linear function of edge orientation angle; increasing from the armchair orientation to the zigzag orientation. Reconstruction of the zigzag edge lowers its energy to less than that of the armchair edge. The edge stress for all edge orientations is compressive, h...

  1. Spin Current Switching and Spin-Filtering Effects in Mn-Doped Boron Nitride Nanoribbons

    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.

  2. Structural and electronic properties of zigzag InP nanoribbons with Stone–Wales type defects

    Longo, R C; Carrete, J; Varela, L M; Gallego, L J

    2016-01-01

    By means of density-functional-theoretic calculations, we investigate the structural and electronic properties of a hexagonal InP sheet and of hydrogen-passivated zigzag InP nanoribbons (ZInPNRs) with Stone–Wales (SW)-type defects. Our results show that the influence of this kind of defect is not limited to the defected region but it leads to the formation of ripples that extend across the systems, in keeping with the results obtained recently for graphene and silicene sheets. The presence of SW defects in ZInPNRs causes an appreciable broadening of the band gap and transforms the indirect-bandgap perfect ZInPNR into a direct-bandgap semiconductor. An external transverse electric field, regardless of its direction, reduces the gap in both the perfect and defective ZInPNRs. (paper)

  3. Transport in multiterminal graphene nanodevices.

    Jayasekera, Thushari; Mintmire, J W

    2007-10-24

    We study the transport properties of multiterminal graphene nanodevices using the Landauer-Buttiker approach and the tight binding model. We consider a four-terminal device made at the crossing of a zigzag and armchair nanoribbons and two types of T-junction devices. The transport properties of graphene multiterminal devices are highly sensitive to the details of the junction region. Thus the properties are drastically different from those on the armchair and zigzag counterparts. In the cross-junction device, we see a conductance dip in the armchair lead associated with a conductance peak in the zigzag lead. We find that this effect is enhanced in a T-junction device with one armchair sidearm.

  4. Chemical functionalization of graphene by carbene cycloaddition: A density functional theory study

    Zan, Wenyan

    2014-01-01

    Graphical abstract: - Highlights: • The reaction process of graphene functionalization with CCl 2 group in atomic scales was studied. • The potential candidate carbenes CR 2 (R = H, F, CN, NO 2 0 , NO 2 90 , CH 3 , OCH 3 , CCH, C 6 H 5 ) were separately combined with graphene. • The functionalization of graphene nanoribbon with dichlorocarbene group was investigated. • The electronic properties of graphene functionalized by carbene groups were discussed. - Abstract: In this work, we have systematically studied the structural, energetic and electronic properties of graphene functionalized with carbene groups by using density functional theory. Introducing a low concentration of CCl 2 group in graphene was studied in detail by DFT, and closed cyclopropane-like three-membered ring structure was formed, meanwhile, the potential candidate carbene groups CR 2 (R = H, F, CH 3 , CN, NO 2 , OCH 3 , CCH, C 6 H 5 ) were added to graphene sheet, and CR 2 (R = H, NO 2 , CH 3 ) groups were expected to be good reactive species to covalently modify graphene. The graphene functionalization with carbene groups above can open graphene's band gap. More CCl 2 molecules were added to graphene, and different concentrations of CCl 2 group can tune graphene's band gap. In addition, the addition of CCl 2 group to graphene edges was investigated, and the stronger binding energy was found. Multiple CCl 2 molecules preferred to be bound with the same edge of graphene nanoribbon. This work provides an insight into the detailed molecular mechanism of graphene functionalization with carbene groups

  5. Substrate-induced magnetism in epitaxial graphene buffer layers.

    Ramasubramaniam, A; Medhekar, N V; Shenoy, V B

    2009-07-08

    Magnetism in graphene is of fundamental as well as technological interest, with potential applications in molecular magnets and spintronic devices. While defects and/or adsorbates in freestanding graphene nanoribbons and graphene sheets have been shown to cause itinerant magnetism, controlling the density and distribution of defects and adsorbates is in general difficult. We show from first principles calculations that graphene buffer layers on SiC(0001) can also show intrinsic magnetism. The formation of graphene-substrate chemical bonds disrupts the graphene pi-bonds and causes localization of graphene states near the Fermi level. Exchange interactions between these states lead to itinerant magnetism in the graphene buffer layer. We demonstrate the occurrence of magnetism in graphene buffer layers on both bulk-terminated as well as more realistic adatom-terminated SiC(0001) surfaces. Our calculations show that adatom density has a profound effect on the spin distribution in the graphene buffer layer, thereby providing a means of engineering magnetism in epitaxial graphene.

  6. Thermoelectric properties of one-dimensional graphene antidot arrays

    Yan, Yonghong; Liang, Qi-Feng; Zhao, Hui; Wu, Chang-Qin; Li, Baowen

    2012-01-01

    We investigate the thermoelectric properties of one-dimensional (1D) graphene antidot arrays by nonequilibrium Green's function method. We show that by introducing antidots to the pristine graphene nanoribbon the thermal conductance can be reduced greatly while keeping the power factor still high, thus leading to an enhanced thermoelectric figure of merit (ZT). Our numerical results indicate that ZT values of 1D antidot graphene arrays can be up to unity, which means the 1D graphene antidot arrays may be promising for thermoelectric applications. -- Highlights: ► We study thermoelectric properties of one-dimensional (1D) graphene antidot arrays. ► Thermoelectric figure of merit (ZT) of 1D antidot arrays can exceed unity. ► ZT of 1D antidot arrays is larger than that of two-dimensional arrays.

  7. Attenuation, dispersion and nonlinearity effects in graphene-based waveguides

    Almir Wirth Lima Jr.

    2015-05-01

    Full Text Available We simulated and analyzed in detail the behavior of ultrashort optical pulses, which are typically used in telecommunications, propagating through graphene-based nanoribbon waveguides. In this work, we showed the changes that occur in the Gaussian and hyperbolic secant input pulses due to the attenuation, high-order dispersive effects and nonlinear effects. We concluded that it is possible to control the shape of the output pulses with the value of the input signal power and the chemical potential of the graphene nanoribbon. We believe that the obtained results will be highly relevant since they can be applied to other nanophotonic devices, for example, filters, modulators, antennas, switches and other devices.

  8. Stability analysis of zigzag boron nitride nanoribbons

    Rai, Hari Mohan, E-mail: rai.2208@gmail.com; Late, Ravikiran; Saxena, Shailendra K.; Kumar, Rajesh; Sagdeo, Pankaj R. [Indian Institute of Technology, Indore –452017 (India); Jaiswal, Neeraj K. [Discipline of Physics, PDPM- Indian Institute of Information Technology, Design and Manufacturing, Jabalpur – 482005 (India); Srivastava, Pankaj [Computational Nanoscience and Technology Lab. (CNTL), ABV- Indian Institute of Information Technology and Management, Gwalior – 474015 (India)

    2015-05-15

    We have explored the structural stability of bare and hydrogenated zigzag boron nitride nanoribbons (ZBNNRs). In order to investigate the structural stability, we calculate the cohesive energy for bare, one-edge and both edges H-terminated ZBNNRs with different widths. It is found that the ZBNNRs with width Nz=8 are energetically more favorable than the lower-width counterparts (Nz<8). Bare ZBNNRs have been found energetically most stable as compared to the edge terminated ribbons. Our analysis reveals that the structural stability is a function of ribbon-width and it is not affected significantly by the type of edge-passivation (one-edge or both-edges)

  9. Large current modulation and spin-dependent tunneling of vertical graphene/MoS2 heterostructures.

    Myoung, Nojoon; Seo, Kyungchul; Lee, Seung Joo; Ihm, G

    2013-08-27

    Vertical graphene heterostructures have been introduced as an alternative architecture for electronic devices by using quantum tunneling. Here, we present that the current on/off ratio of vertical graphene field-effect transistors is enhanced by using an armchair graphene nanoribbon as an electrode. Moreover, we report spin-dependent tunneling current of the graphene/MoS2 heterostructures. When an atomically thin MoS2 layer sandwiched between graphene electrodes becomes magnetic, Dirac fermions with different spins feel different heights of the tunnel barrier, leading to spin-dependent tunneling. Our finding will develop the present graphene heterostructures for electronic devices by improving the device performance and by adding the possibility of spintronics based on graphene.

  10. Vertically aligned zinc selenide nanoribbon arrays: microstructure and field emission

    Zhao Lijuan; Pang Qi; Cai Yuan; Wang Ning; Ge Weikun; Wang Jiannong; Yang Shihe

    2007-01-01

    Uniform ZnSe precursor (ZnSe : 0.38en, en = ethylenediamine) nanoribbon arrays are grown vertically on Zn foils in ethylenediamine (en) using a solvothermal method. After the annealing treatment in N 2 , the ZnSe nanoribbon arrays can be obtained without an obvious morphology change and the crystallinity of ribbons is greatly improved. The microstructures of both individual ZnSe precursor and ZnSe nanoribbons are investigated. Field emission characteristics show that the onset field required drawing a current density of ∼0.1 μ A cm -2 from the ZnSe nanoribbons is 5.0 V μm -1 and the field enhancement factors are determined to be ∼1382

  11. Thermal Conductivity of Graphene-hBN Superlattice Ribbons.

    Felix, Isaac M; Pereira, Luiz Felipe C

    2018-02-09

    Superlattices are ideal model systems for the realization and understanding of coherent (wave-like) and incoherent (particle-like) phonon thermal transport. Single layer heterostructures of graphene and hexagonal boron nitride have been produced recently with sharp edges and controlled domain sizes. In this study we employ nonequilibrium molecular dynamics simulations to investigate the thermal conductivity of superlattice nanoribbons with equal-sized domains of graphene and hexagonal boron nitride. We analyze the dependence of the conductivity with the domain sizes, and with the total length of the ribbons. We determine that the thermal conductivity reaches a minimum value of 89 W m -1 K -1 for ribbons with a superlattice period of 3.43 nm. The effective phonon mean free path is also determined and shows a minimum value of 32 nm for the same superlattice period. Our results also reveal that a crossover from coherent to incoherent phonon transport is present at room temperature for BNC nanoribbons, as the superlattice period becomes comparable to the phonon coherence length. Analyzing phonon populations relative to the smallest superlattice period, we attribute the minimum thermal conductivity to a reduction in the population of flexural phonons when the superlattice period equals 3.43 nm. The ability to manipulate thermal conductivity using superlattice-based two-dimensional materials, such as graphene-hBN nanoribbons, opens up opportunities for application in future nanostructured thermoelectric devices.

  12. Kinks and antikinks of buckled graphene: A testing ground for the φ4 field model

    Yamaletdinov, R. D.; Slipko, V. A.; Pershin, Y. V.

    2017-09-01

    Kinks and antikinks of the classical φ4 field model are topological solutions connecting its two distinct ground states. Here we establish an analogy between the excitations of a long graphene nanoribbon buckled in the transverse direction and φ4 model results. Using molecular dynamics simulations, we investigated the dynamics of a buckled graphene nanoribbon with a single kink and with a kink-antikink pair. Several features of the φ4 model have been observed including the kink-antikink capture at low energies, kink-antikink reflection at high energies, and a bounce resonance. Our results pave the way towards the experimental observation of a rich variety of φ4 model predictions based on graphene.

  13. Resonant tunneling through double-barrier structures on graphene

    Deng Wei-Yin; Zhu Rui; Deng Wen-Ji; Xiao Yun-Chang

    2014-01-01

    Quantum resonant tunneling behaviors of double-barrier structures on graphene are investigated under the tight-binding approximation. The Klein tunneling and resonant tunneling are demonstrated for the quasiparticles with energy close to the Dirac points. The Klein tunneling vanishes by increasing the height of the potential barriers to more than 300 meV. The Dirac transport properties continuously change to the Schrödinger ones. It is found that the peaks of resonant tunneling approximate to the eigen-levels of graphene nanoribbons under appropriate boundary conditions. A comparison between the zigzag- and armchair-edge barriers is given. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  14. Plasmons in Dimensionally Mismatched Coulomb Coupled Graphene Systems.

    Badalyan, S M; Shylau, A A; Jauho, A P

    2017-09-22

    We calculate the plasmon dispersion relation for Coulomb coupled metallic armchair graphene nanoribbons and doped monolayer graphene. The crossing of the plasmon curves, which occurs for uncoupled 1D and 2D systems, is split by the interlayer Coulomb coupling into a lower and an upper plasmon branch. The upper branch exhibits an unusual behavior with end points at finite q. Accordingly, the structure factor shows either a single or a double peak behavior, depending on the plasmon wavelength. The new plasmon structure is relevant to recent experiments, its properties can be controlled by varying the system parameters and be used in plasmonic applications.

  15. Electronic structures of the F-terminated AlN nanoribbons

    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 ...

  16. Floquet edge states in germanene nanoribbons

    Tahir, Muhammad

    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.

  17. Magnetism of zigzag edge phosphorene nanoribbons

    Zhu, Zhili, E-mail: zlzhu@zzu.edu.cn, E-mail: jiayu@zzu.edu.cn; Li, Chong; Yu, Weiyang; Chang, Dahu; Sun, Qiang; Jia, Yu, E-mail: zlzhu@zzu.edu.cn, E-mail: jiayu@zzu.edu.cn [International Joint Research Laboratory for Quantum Functional Materials of Henan, and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001 (China)

    2014-09-15

    We have investigated, by means of ab initio calculations, the electronic and magnetic structures of zigzag edge phosphorene nanoribbons (ZPNRs) with various widths. The stable magnetic state was found in pristine ZPNRs by allowing the systems to be spin-polarized. The ground state of pristine ZPNRs prefers ferromagnetic order in the same edge but antiferromagnetic order between two opposite edges. The magnetism arises from the dangling bond states as well as edge localized π-orbital states. The presence of a dangling bond is crucial to the formation of the magnetism of ZPNRs. The hydrogenated ZPNRs get nonmagnetic semiconductors with a direct band gap. While, the O-saturated ZPNRs show magnetic ground states due to the weak P-O bond in the ribbon plane between the p{sub z}-orbitals of the edge O and P atoms.

  18. Bondonic effects in group-IV honeycomb nanoribbons with Stone-Wales topological defects.

    Putz, Mihai V; Ori, Ottorino

    2014-04-03

    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.

  19. Bondonic Effects in Group-IV Honeycomb Nanoribbons with Stone-Wales Topological Defects

    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.

  20. Topological anisotropy of stone-wales waves in graphenic fragments.

    Ori, Ottorino; Cataldo, Franco; Putz, Mihai V

    2011-01-01

    Stone-Wales operators interchange four adjacent hexagons with two pentagon-heptagon 5|7 pairs that, graphically, may be iteratively propagated in the graphene layer, originating a new interesting structural defect called here Stone-Wales wave. By minimization, the Wiener index topological invariant evidences a marked anisotropy of the Stone-Wales defects that, topologically, are in fact preferably generated and propagated along the diagonal of the graphenic fragments, including carbon nanotubes and graphene nanoribbons. This peculiar edge-effect is shown in this paper having a predominant topological origin, leaving to future experimental investigations the task of verifying the occurrence in nature of wave-like defects similar to the ones proposed here. Graph-theoretical tools used in this paper for the generation and the propagation of the Stone-Wales defects waves are applicable to investigate isomeric modifications of chemical structures with various dimensionality like fullerenes, nanotubes, graphenic layers, schwarzites, zeolites.

  1. Visualizing copper assisted graphene growth in nanoscale

    Rosmi, Mohamad Saufi; Yusop, Mohd Zamri; Kalita, Golap; Yaakob, Yazid; Takahashi, Chisato; Tanemura, Masaki

    2014-01-01

    Control synthesis of high quality large-area graphene on transition metals (TMs) by chemical vapor deposition (CVD) is the most fascinating approach for practical device applications. Interaction of carbon atoms and TMs is quite critical to obtain graphene with precise layer number, crystal size and structure. Here, we reveal a solid phase reaction process to achieve Cu assisted graphene growth in nanoscale by in-situ transmission electron microscope (TEM). Significant structural transformation of amorphous carbon nanofiber (CNF) coated with Cu is observed with an applied potential in a two probe system. The coated Cu particle recrystallize and agglomerate toward the cathode with applied potential due to joule heating and large thermal gradient. Consequently, the amorphous carbon start crystallizing and forming sp2 hybridized carbon to form graphene sheet from the tip of Cu surface. We observed structural deformation and breaking of the graphene nanoribbon with a higher applied potential, attributing to saturated current flow and induced Joule heating. The observed graphene formation in nanoscale by the in-situ TEM process can be significant to understand carbon atoms and Cu interaction. PMID:25523645

  2. Graphene ribbon growth on structured silicon carbide

    Stoehr, Alexander; Link, Stefan; Starke, Ulrich [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Baringhaus, Jens; Aprojanz, Johannes; Tegenkamp, Christoph [Institut fuer Festkoerperphysik, Leibniz Universitaet Hannover (Germany); Niu, Yuran [MAX IV Laboratory, Lund University (Sweden); present address: School of Physics and Astronomy, Cardiff University (United Kingdom); Zakharov, Alexei A. [MAX IV Laboratory, Lund University (Sweden); Chen, Chaoyu; Avila, Jose; Asensio, Maria C. [Synchrotron SOLEIL and Universite Paris-Saclay, Gif sur Yvette (France)

    2017-11-15

    Structured Silicon Carbide was proposed to be an ideal template for the production of arrays of edge specific graphene nanoribbons (GNRs), which could be used as a base material for graphene transistors. We prepared periodic arrays of nanoscaled stripe-mesas on SiC surfaces using electron beam lithography and reactive ion etching. Subsequent epitaxial graphene growth by annealing is differentiated between the basal-plane mesas and the faceting stripe walls as monitored by means of atomic force microscopy (AFM). Microscopic low energy electron diffraction (μ-LEED) revealed that the graphene ribbons on the facetted mesa side walls grow in epitaxial relation to the basal-plane graphene with an armchair orientation at the facet edges. The π-band system of the ribbons exhibits linear bands with a Dirac like shape corresponding to monolayer graphene as identified by angle-resolved photoemission spectroscopy (ARPES). (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Phosphorene nanoribbons: Passivation effect on bandgap and effective mass

    Xu, Li-Chun; Song, Xian-Jiang; Yang, Zhi; Cao, Ling; Liu, Rui-Ping; Li, Xiu-Yan

    2015-01-01

    Highlights: • Hydrogenation and fluorination can passivate the metallic edge states of zPNRs. • The bandgap of each type of zPNRs decreases as the ribbon's width increases duo to the quantum confinement effect. • Two local configurations of passivated atoms can coexist in nanoribbons and affect the bandgap of narrow nanoribbons. • New passivation configuration can effectively reduce the effective mass of electrons. - Abstract: The edge passivation effect of phosphorene nanoribbons is systematically investigated using density functional theory. Hydrogen and fluorine atoms passivate the metallic edge states of nanoribbons and can open a bandgap up to 2.25 eV. The two configurations of passivated atoms can exist at two edges and affect the bandgap of narrow nanoribbons. The bandgap of each type of zPNRs decreases as the ribbon's width increases, which can be attributed to the quantum confinement effect. The new configuration, named C b , can effectively reduce the effective mass of electrons, which benefits the future design of phosphorene-based electronic devices

  4. Phosphorene nanoribbons: Passivation effect on bandgap and effective mass

    Xu, Li-Chun, E-mail: xulichun@tyut.edu.cn; Song, Xian-Jiang; Yang, Zhi; Cao, Ling; Liu, Rui-Ping; Li, Xiu-Yan

    2015-01-01

    Highlights: • Hydrogenation and fluorination can passivate the metallic edge states of zPNRs. • The bandgap of each type of zPNRs decreases as the ribbon's width increases duo to the quantum confinement effect. • Two local configurations of passivated atoms can coexist in nanoribbons and affect the bandgap of narrow nanoribbons. • New passivation configuration can effectively reduce the effective mass of electrons. - Abstract: The edge passivation effect of phosphorene nanoribbons is systematically investigated using density functional theory. Hydrogen and fluorine atoms passivate the metallic edge states of nanoribbons and can open a bandgap up to 2.25 eV. The two configurations of passivated atoms can exist at two edges and affect the bandgap of narrow nanoribbons. The bandgap of each type of zPNRs decreases as the ribbon's width increases, which can be attributed to the quantum confinement effect. The new configuration, named C{sub b}, can effectively reduce the effective mass of electrons, which benefits the future design of phosphorene-based electronic devices.

  5. The Enzymatic Oxidation of Graphene Oxide

    Kotchey, Gregg P.; Allen, Brett L.; Vedala, Harindra; Yanamala, Naveena; Kapralov, Alexander A.; Tyurina, Yulia Y.; Klein-Seetharaman, Judith; Kagan, Valerian E.; Star, Alexander

    2011-01-01

    Two-dimensional graphitic carbon is a new material with many emerging applications, and studying its chemical properties is an important goal. Here, we reported a new phenomenon – the enzymatic oxidation of a single layer of graphitic carbon by horseradish peroxidase (HRP). In the presence of low concentrations of hydrogen peroxide (~40 µM), HRP catalyzed the oxidation of graphene oxide, which resulted in the formation of holes on its basal plane. During the same period of analysis, HRP failed to oxidize chemically reduced graphene oxide (RGO). The enzymatic oxidation was characterized by Raman, UV-Vis, EPR and FT-IR spectroscopy, TEM, AFM, SDS-PAGE, and GC-MS. Computational docking studies indicated that HRP was preferentially bound to the basal plane rather than the edge for both graphene oxide and RGO. Due to the more dynamic nature of HRP on graphene oxide, the heme active site of HRP was in closer proximity to graphene oxide compared to RGO, thereby facilitating the oxidation of the basal plane of graphene oxide. We also studied the electronic properties of the reduced intermediate product, holey reduced graphene oxide (hRGO), using field-effect transistor (FET) measurements. While RGO exhibited a V-shaped transfer characteristic similar to a single layer of graphene that was attributed to its zero band gap, hRGO demonstrated a p-type semiconducting behavior with a positive shift in the Dirac points. This p-type behavior rendered hRGO, which can be conceptualized as interconnected graphene nanoribbons, as a potentially attractive material for FET sensors. PMID:21344859

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

    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.

  7. Interaction between the intrinsic edge state and the helical boundary state of topological insulator phase in bilayer graphene

    Lü, Xiaoling [School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022 (China); Jiang, Liwei [National Laboratory of Superhard Materials, Department of Physics, Jilin University, Changchun 130012 (China); Zheng, Yisong, E-mail: zhengys@jlu.edu.cn [National Laboratory of Superhard Materials, Department of Physics, Jilin University, Changchun 130012 (China)

    2016-04-22

    Graphene has intrinsic edge states localized at zigzag edge or lattice defect. Helical boundary states can also be established in such a two-dimensional carbon material at the boundary of topological insulator (TI) phase realized by the extrinsic Rashba spin–orbital coupling (SOC) in gated bilayer graphene. We theoretically investigate the interaction between these two kinds of edge (boundary) states when they coexist in a bilayer graphene. We find that this interaction gives rise to some very interesting results. In a zigzag edged nanoribbon of bilayer graphene, it is possible that the TI helical state does not localize at the TI phase boundary. Instead it moves to the nanoribbon edge even though the SOC is absent therein. In a bulk lattice of bilayer graphene embedded with two line defects, the numbers of helical state subbands at the two line defects are not equal to each other. In such a case, the backscattering lacking is still forbidden since the Kramers pairs are valley polarized. - Highlights: • The TI helical state moves to nanoribbon edge in a gated ZENR-BG. • The gapless modes of LD-BG at the two line defects are not equal to each other. • The Kramers pairs are still valley polarized in a gated LD-BG.

  8. Screen-printed electrodes modified with carbon nanotubes or graphene for simultaneous determination of melatonin and serotonin

    Gomez, Federico José Vicente; Martín, Aída; Escarpa, Alberto; Silva, María Fernanda

    2015-01-01

    Single-walled carbon nanotubes (SWCNT), multi-walled carbon nanotubes (MWCNT) and graphene have been tested as carbon allotropes for the modification of carbon screen-printed electrodes (CSPEs) to simultaneously determine melatonin (MT) and serotonin (5-HT). Two groups of CSPEs, both 4 mm in diameter, were explored: The first includes commercial SWCNT, MWCNT and graphene, the second includes SWCNT, MWCNT, graphene oxide nanoribbons and reduced nanoribbons that were drop casted on the electrodes. The carbon nanomaterials enhanced the electroactive area in the following order: CSPE graphene. This allowed the simultaneous determination of 5-HT and MT at the working potentials of +50 mV and +390 mV (vs. Ag), respectively. The use of carbon nanomaterials, in particular of graphene oxide nanoribbons on CSPEs, represents an excellent and disposable tool for sensing the two target molecules in even small sample volumes. Figures of merit for MT and 5-HT include (a) detection limit of 1.1 and 0.4 μM for MT and 5-HT, respectively; (b) an inter-electrode reproducibility with RSD ≤ 8 %; (c) 120 s response time, and (d) recoveries (in case of spiked samples) ranging from 94 to 103 % (with an RSD < 1 %). (author)

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

    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. © 2015 Wiley Periodicals, Inc.

  10. Electronic Structure and I- V Characteristics of InSe Nanoribbons

    Yao, A.-Long; Wang, Xue-Feng; Liu, Yu-Shen; Sun, Ya-Na

    2018-04-01

    We have studied the electronic structure and the current-voltage ( I-V) characteristics of one-dimensional InSe nanoribbons using the density functional theory combined with the nonequilibrium Green's function method. Nanoribbons having bare or H-passivated edges of types zigzag (Z), Klein (K), and armchair (A) are taken into account. Edge states are found to play an important role in determining their electronic properties. Edges Z and K are usually metallic in wide nanoribbons as well as their hydrogenated counterparts. Transition from semiconductor to metal is observed in hydrogenated nanoribbons HZZH as their width increases, due to the strong width dependence of energy difference between left and right edge states. Nevertheless, electronic structures of other nanoribbons vary with the width in a very limited scale. The I-V characteristics of bare nanoribbons ZZ and KK show strong negative differential resistance, due to spatial mismatch of wave functions in energy bands around the Fermi energy. Spin polarization in these nanoribbons is also predicted. In contrast, bare nanoribbons AA and their hydrogenated counterparts HAAH are semiconductors. The band gaps of nanoribbons AA (HAAH) are narrower (wider) than that of two-dimensional InSe monolayer and increase (decrease) with the nanoribbon width.

  11. An informatics based analysis of the impact of isotope substitution on phonon modes in graphene

    Broderick, Scott; Srinivasan, Srikant; Rajan, Krishna; Ray, Upamanyu; Balasubramanian, Ganesh

    2014-01-01

    It is shown by informatics that the high frequency short ranged modes exert a significant influence in impeding thermal transport through isotope substituted graphene nanoribbons. Using eigenvalue decomposition methods, we have extracted features in the phonon density of states spectra that reveal correlations between isotope substitution and phonon modes. This study also provides a data driven computational framework for the linking of materials chemistry and transport properties in 2D systems.

  12. Tunable spin waves in diluted magnetic semiconductor nanoribbon

    Lyu, Pin; Zhang, Jun-Yi

    2018-01-01

    The spin wave excitation spectrum in diluted magnetic semiconductor (DMS) nanoribbons was calculated by taking account of the quantum confinement effect of carriers and spin waves. By introducing the boundary condition for the spin waves, we derived the spin wave dispersion using the path-integral formulation and Green's function method. It was shown that the spin wave excitation spectrum is discrete due to the confinement effect and strongly dependent on the carrier density, the magnetic ion density, and the width of the nanoribbon. When the width of the nanoribbon is beyond the typical nanoscales, the size effect on the excitation energies of the spin waves disappears in our calculation, which is in qualitative agreement with no obvious size effect observed in the as-made nanodevices of (Ga,Mn)As in this size regime. Our results provide a potential way to control the spin waves in the DMS nanoribbon not only by the carrier density and the magnetic ion density but also by the nanostructure geometry.

  13. Ferromagnetism controlled by electric field in tilted phosphorene nanoribbon

    Farooq, M. Umar; Hashmi, Arqum; Hong, Jisang

    2016-01-01

    Study on phosphorene nanoribbon was mostly focused on zigzag and armchair structures and no ferromagnetic ground state was observed in these systems. Here, we investigated the magnetic property of tilted black phosphorene nanoribbons (TPNRs) affected by an external electric field. We also studied the edge passivation effect on the magnetism and thermal stability of the nanoribbons. The pure TPNR displayed an edge magnetic state, but it disappeared in the edge reconstructed TPNR due to the self-passivation. In addition, we found that the bare TPNR was mechanically unstable because an imaginary vibration mode was obtained. However, the imaginary vibration mode disappeared in the edge passivated TPNRs. No edge magnetism was observed in hydrogen and fluorine passivated TPRNs. In contrast, the oxygen passivated TPNR was more stable than the pure TPNR and the edge-to-edge antiferromagntic (AFM) ground state was obtained. We found that the magnetic ground state could be tuned by the electric field from antiferromagnetic (AFM) to ferromagnetic (FM) ground state. Interestingly, the oxygen passivated TPNR displayed a half-metallic state at a proper electric field in both FM and AFM states. This finding may provoke an intriguing issue for potential spintronics application using the phosphorene nanoribbons. PMID:27189417

  14. Graphene on graphene antidot lattices

    Gregersen, Søren Schou; Pedersen, Jesper Goor; Power, Stephen

    2015-01-01

    Graphene bilayer systems are known to exhibit a band gap when the layer symmetry is broken by applying a perpendicular electric field. The resulting band structure resembles that of a conventional semiconductor with a parabolic dispersion. Here, we introduce a bilayer graphene heterostructure......, where single-layer graphene is placed on top of another layer of graphene with a regular lattice of antidots. We dub this class of graphene systems GOAL: graphene on graphene antidot lattice. By varying the structure geometry, band-structure engineering can be performed to obtain linearly dispersing...

  15. Numerical investigation of elastic mechanical properties of graphene structures

    Georgantzinos, S.K.; Giannopoulos, G.I.; Anifantis, N.K.

    2010-01-01

    The computation of the elastic mechanical properties of graphene sheets, nanoribbons and graphite flakes using spring based finite element models is the aim of this paper. Interatomic bonded interactions as well as van der Waals forces between carbon atoms are simulated via the use of appropriate spring elements expressing corresponding potential energies provided by molecular theory. Each layer is idealized as a spring-like structure with carbon atoms represented by nodes while interatomic forces are simulated by translational and torsional springs with linear behavior. The non-bonded van der Waals interactions among atoms which are responsible for keeping the graphene layers together are simulated with the Lennard-Jones potential using appropriate spring elements. Numerical results concerning the Young's modulus, shear modulus and Poisson's ratio for graphene structures are derived in terms of their chilarity, width, length and number of layers. The numerical results from finite element simulations show good agreement with existing numerical values in the open literature.

  16. Acoustic analog of monolayer graphene and edge states

    Zhong, Wei; Zhang, Xiangdong

    2011-01-01

    Acoustic analog of monolayer graphene has been designed by using silicone rubber spheres of honeycomb lattices embedded in water. The dispersion of the structure has been studied theoretically using the rigorous multiple-scattering method. The energy spectra with the Dirac point have been verified and zigzag edge states have been found in ribbons of the structure, which are analogous to the electronic ones in graphene nanoribbons. The guided modes along the zigzag edge excited by a point source have been numerically demonstrated. The open cavity and 'Z' type edge waveguide with 60 o corners have also been realized by using such edge states. -- Highlights: → Acoustic analog of monolayer graphene has been designed. → The energy spectra with the Dirac point have been verified. → The zigzag edge states have been found in ribbons of the structure. → The guided modes excited by a point source have been demonstrated. → The open cavity and 'Z' type edge waveguide have been realized.

  17. Ferromagnetism regulated by edged cutting and optical identification in monolayer PtSe2 nanoribbons

    Meng, Ming; Zhang, QiZhen; Wang, Lifen; Shan, Yun; Du, Yuandong; Qin, Nan; Liu, Lizhe

    2018-06-01

    Regulation of ferromagnetism and electronic structure in PtSe2 nanostructures has attracted much attention because of its potential in spintronics. The magnetic and optical properties of PtSe2 nanoribbons with different edge reconstruction and external deformations are calculated by density function theory. In 1 T phase PtSe2 nanoribbons, the ferromagnetism induced by spin polarization of exposed Pt or Se atoms is decreased with the reducing nanoribbon width. For smaller nanoribbon, the magnetism can be regulated by external strain more easily. However, the magnetism cannot occur in 1 H phase PtSe2 nanoribbon. The absorption spectra are suggested to identify the nanoribbon structural changes in detail. Our results suggest the use of edge reconstruction and strain engineering in spintronics applications.

  18. Effect of contact area on electron transport through graphene-metal interface.

    Liu, Hongmei; Kondo, Hisashi; Ohno, Takahisa

    2013-08-21

    We perform first-principles investigations of electron transport in armchair graphene nanoribbons adsorbed on Cu(111) and Ni(111) surfaces with various contact areas. We find that the contact area between metals and graphene has different influences on the conductance. The Cu-graphene system shows an increase in differential conductance for more contact area at a low bias voltage, primarily originating from the shift of transmission peaks relative to the Fermi energy. As the bias increases, there is an irregular change of conductance, including a weak negative differential conductance for more contact area. In contrast, the conductance of the Ni-graphene junction is monotonically enhanced with increasing overlap area. The minority spin which shows a broad transmission is responsible for the conductance increase of Ni-graphene. These behaviors can be attributed to different mechanisms of the interfacial electron transport: Charge transfer between graphene and Cu largely dominates the transmission enhancement of Cu-graphene, whereas hybridization between graphene and Ni states plays a more important role in the transmission enhancement of Ni-graphene. The different behaviors of transmission increase correlate with not only the strength of the graphene-metal interaction but also the location of metal d states.

  19. Thermal transport characterization of hexagonal boron nitride nanoribbons using molecular dynamics simulation

    Asir Intisar Khan

    2017-10-01

    Full Text Available Due to similar atomic bonding and electronic structure to graphene, hexagonal boron nitride (h-BN has broad application prospects such as the design of next generation energy efficient nano-electronic devices. Practical design and efficient performance of these devices based on h-BN nanostructures would require proper thermal characterization of h-BN nanostructures. Hence, in this study we have performed equilibrium molecular dynamics (EMD simulation using an optimized Tersoff-type interatomic potential to model the thermal transport of nanometer sized zigzag hexagonal boron nitride nanoribbons (h-BNNRs. We have investigated the thermal conductivity of h-BNNRs as a function of temperature, length and width. Thermal conductivity of h-BNNRs shows strong temperature dependence. With increasing width, thermal conductivity increases while an opposite pattern is observed with the increase in length. Our study on h-BNNRs shows considerably lower thermal conductivity compared to GNRs. To elucidate these aspects, we have calculated phonon density of states for both h-BNNRs and GNRs. Moreover, using EMD we have explored the impact of different vacancies, namely, point vacancy, edge vacancy and bi-vacancy on the thermal conductivity of h-BNNRs. With varying percentages of vacancies, significant reduction in thermal conductivity is observed and it is found that, edge and point vacancies are comparatively more destructive than bi-vacancies. Such study would contribute further into the growing interest for accurate thermal transport characterization of low dimensional nanostructures.

  20. Electronic and transport properties of kinked graphene

    Rasmussen, Jesper Toft; Gunst, Tue; Bøggild, Peter

    2013-01-01

    Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction for the ads......Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investigate the reaction barrier reduction...... for the adsorption of atomic hydrogen at linear bends in graphene. We find a significant barrier lowering (≈15%) for realistic radii of curvature (≈20 Å) and that adsorption along the linear bend leads to a stable linear kink. We compute the electronic transport properties of individual and multiple kink lines......, and demonstrate how these act as efficient barriers for electron transport. In particular, two parallel kink lines form a graphene pseudo-nanoribbon structure with a semimetallic/semiconducting electronic structure closely related to the corresponding isolated ribbons; the ribbon band gap translates...

  1. Graphene aerogels

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

    2015-03-31

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

  2. Sc-Decorated WS_2 Nanoribbons as Hydrogen Storage Media

    Xu Bin; Wang Yu-Sheng; Zhang Jing; Song Na-Hong; Li Meng; Yi Lin

    2016-01-01

    The hydrogen storage behavior of Sc-decorated WS_2 monolayer and WS_2 nanoribbons is systematically studied by using first principles calculations based on the density functional theory. The present results indicate that an Sc-decorated WS_2 monolayer is not suitable for storing hydrogen due to the weak interaction between the monolayer WS_2 sheet and the Sc atoms. It is found that both the hybridization mechanism and the Coulomb attraction make the Sc atoms stably adsorb on the edges of WS_2 nanoribbons without clustering. The 2Sc/WS_2 NRs system can adsorb at most eight H_2 molecules with average adsorption energy of 0.20 eV/H_2. The results show that the desorption of H_2 is possible by lowering the pressure or by increasing the temperature. (paper)

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

    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.

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

    Jungmann, Ralf; Scheible, Max; Kuzyk, Anton; Pardatscher, Guenther; Simmel, Friedrich C; Castro, Carlos E

    2011-01-01

    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.

  5. Strain modification on electronic transport of the phosphorene nanoribbon

    Yawen Yuan

    2017-07-01

    Full Text Available We demonstrate theoretically how local strains can be tailored to control quantum transport of carriers on monolayer armchair and zigzag phosphorene nanoribbon. We find that the electron tunneling is forbidden when the in-plane strain exceeds a critical value. The critical strain is different for different crystal orientation of the ribbons, widths, and incident energies. By tuning the Fermi energy and strain, the channels can be transited from opaque to transparent. Moreover, for the zigzag-phosphorene nanoribbon, the two-fold degenerate quasi-flat edge band splits completely under certain strain. These properties provide us an efficient way to control the transport of monolayer phosphorene-based microstructure.

  6. Preparation of water-soluble graphene nanoplatelets and highly conductive films

    Xu, Xuezhu

    2017-08-11

    This paper tackles the challenge of preparation stable, highly concentrated aqueous graphene dispersions. Despite tremendous recent interest, there has been limited success in developing a method that ensures the total dispersion of non-oxidized, defect-free graphene nanosheets in water. This study successfully demonstrates that few-layer graphene nanoplatelets (GNPs) can form highly concentrated aqueous colloidal solutions after they have been pretreated in a low-concentration inorganic sodium-hypochlorite and sodium-bromide salted aqueous solvent. This method retains the graphitic structure as evidenced by nuclear magnetic resonance spectroscopy, X-ray photoelectron spectroscopy, and Raman spectroscopy. Vacuum-filtrated freestanding films demonstrate an electrical conductivity as high as 3000 S m−1. This dispersion technique is believed to be applicable not only for GNPs, but also for dispersing other types of graphitic materials, including fullerenes, single/double/multi-walled carbon nanotubes, graphene nanoribbons and etc.

  7. Graphene: powder, flakes, ribbons, and sheets.

    James, Dustin K; Tour, James M

    2013-10-15

    Graphene's unique physical and electrical properties (high tensile strength, Young's modulus, electron mobility, and thermal conductivity) have led to its nickname of "super carbon." Graphene research involves the study of several different physical forms of the material: powders, flakes, ribbons, and sheets and others not yet named or imagined. Within those forms, graphene can include a single layer, two layers, or ≤10 sheets of sp² carbon atoms. The chemistry and applications available with graphene depend on both the physical form of the graphene and the number of layers in the material. Therefore the available permutations of graphene are numerous, and we will discuss a subset of this work, covering some of our research on the synthesis and use of many of the different physical and layered forms of graphene. Initially, we worked with commercially available graphite, with which we extended diazonium chemistry developed to functionalize single-walled carbon nanotubes to produce graphitic materials. These structures were soluble in common organic solvents and were better dispersed in composites. We developed an improved synthesis of graphene oxide (GO) and explored how the workup protocol for the synthesis of GO can change the electronic structure and chemical functionality of the GO product. We also developed a method to remove graphene layers one-by-one from flakes. These powders and sheets of GO can serve as fluid loss prevention additives in drilling fluids for the oil industry. Graphene nanoribbons (GNRs) combine small width with long length, producing valuable electronic and physical properties. We developed two complementary syntheses of GNRs from multiwalled carbon nanotubes: one simple oxidative method that produces GNRs with some defects and one reductive method that produces GNRs that are less defective and more electrically conductive. These GNRs can be used in low-loss, high permittivity composites, as conductive reinforcement coatings on Kevlar

  8. Electronic and magnetic properties of BNC nanoribbons: a detailed computational study

    Basheer, Ershaad Ahamed; Parida, Prakash; Pati, Swapan K

    2011-01-01

    Using density functional theory (DFT), we perform a systematic study of the electronic structure of zigzag edge BNC nanoribbons, which have an equal number of boron, carbon and nitrogen atoms. We study two nanoribbon structures. One of them is terminated by carbon and nitrogen atoms on opposite edges, whereas the other is terminated by carbon and boron atoms on opposite edges. We explore the effect of passivation of the edge atoms on the electronic and magnetic properties of the nanoribbons. We also evaluate the changes in these effects brought about by varying the width of the nanoribbons. Our results show that, for ribbons of small width, the ones with a boron edge show semiconducting behaviour regardless of the nature of edge passivation, whereas nitrogen-edged nanoribbons display a range of conduction properties including half-metallic, metallic and semiconducting properties depending on the nature of edge passivation. On the other hand, ribbons of larger width show metallic behaviour. We also study the effect of external electric fields on the band structure of both boron-edged and nitrogen-edged nanoribbons and the trends in these effects with varying width. We find that both boron- and nitrogen-edged nanoribbons retain their zero-field conduction properties even in the presence of an electric field directed from the boron/nitrogen edge to the carbon edge. Our transport study of hydrogen-passivated carbon- and nitrogen-edged zigzag BNC nanoribbons reveals strong spin-filter properties.

  9. Aharonov–Bohm interference in topological insulator nanoribbons

    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.

  10. Pre-patterned ZnO nanoribbons on soft substrates for stretchable energy harvesting applications

    Ma, Teng; Wang, Yong; Tang, Rui; Yu, Hongyu; Jiang, Hanqing

    2013-05-01

    Three pre-patterned ZnO nanoribbons in different configurations were studied in this paper, including (a) straight ZnO nanoribbons uniformly bonded on soft substrates that form sinusoidal buckles, (b) straight ZnO nanoribbons selectively bonded on soft substrates that form pop-up buckles, and (c) serpentine ZnO nanoribbons bonded on soft substrates via anchors. The nonlinear dynamics and random analysis were conducted to obtain the fundamental frequencies and to evaluate their performance in energy harvesting applications. We found that pop-up buckles and overhanging serpentine structures are suitable for audio frequency energy harvesting applications. Remarkably, almost unchanged fundamental natural frequency upon strain is achieved by properly patterning ZnO nanoribbons, which initiates a new and exciting direction of stretchable energy harvesting using nano-scale materials in audio frequency range.

  11. Effects of hydrothermal post-treatment on microstructures and morphology of titanate nanoribbons

    Yu Huogen; Yu Jiaguo; Cheng Bei; Zhou Minghua

    2006-01-01

    Titanate nanoribbons were prepared via a hydrothermal treatment of rutile-type TiO 2 powders in a 10 M NaOH solution at 200 deg. C for 48 h. The as-prepared titanate nanoribbons were then hydrothermally post-treated at 150 deg. C for 12-36 h. The titanate nanoribbons before and after hydrothermal post-treatment were characterized with FESEM, XRD, TEM, UV-VIS and nitrogen adsorption-desorption isotherms. The results showed that the hydrothermal post-treatment not only promoted the phase transformation from titanate to anatase TiO 2 , but also was beneficial to the removal of Na + ions remained in the titanate nanoribbons. After hydrothermal post-treatment, the TiO 2 samples retained the one-dimensional structure feature of the titanate nanoribbons and showed an obvious increase in the specific surface area and the pore volume

  12. Closed-edged bilayer phosphorene nanoribbons producing from collapsing armchair phosphorene nanotubes

    Liao, Xiangbiao; Xiao, Hang; Lu, Xiaobo; Chen, Youlong; Shi, Xiaoyang; Chen, Xi

    2018-02-01

    A new phosphorous allotrope, closed-edged bilayer phosphorene nanoribbon, is proposed via radially deforming armchair phosphorene nanotubes. Using molecular dynamics simulations, the transformation pathway from round PNTs falls into two types of collapsed structures: arc-like and sigmoidal bilayer nanoribbons, dependent on the number of phosphorene unit cells. The fabricated nanoribbions are energetically more stable than their parent nanotubes. It is also found via ab initio calculations that the band structure along tube axis substantially changes with the structural transformation. The direct-to-indirect transition of band gap is highlighted when collapsing into the arc-like nanoribbons but not the sigmoidal ones. Furthermore, the band gaps of these two types of nanoribbons show significant size-dependence of the nanoribbon width, indicative of wider tunability of their electrical properties.

  13. Graphene Coatings

    Stoot, Adam Carsten; Camilli, Luca; Bøggild, Peter

    2014-01-01

    Owing to its remarkable electrical and mechanical properties, graphene has been attracting tremendous interest in materials science. In particular, its chemical stability and impermeability make it a promising protective membrane. However, recent investigations reveal that single layer graphene...... cannot be used as a barrier in the long run, due to galvanic corrosion phenomena arising when oxygen or water penetrate through graphene cracks or domain boundaries. Here, we overcome this issue by using a multilayered (ML) graphene coating. Our lab- as well as industrial-scale tests demonstrate that ML...... graphene can effectively protect Ni in harsh environments, even after long term exposure. This is made possible by the presence of a high number of graphene layers, which can efficiently mask the cracks and domain boundaries defects found in individual layers of graphene. Our findings thus show...

  14. Aromatic graphene

    Das, D. K., E-mail: gour.netai@gmail.com [Department of Metallurgical and Material Science Engineering, National Institute of Technology Durgapur-713209, West Bengal (India); Sahoo, S., E-mail: sukadevsahoo@yahoo.com [Department of Physics, National Institute of Technology Durgapur-713209, West Bengal (India)

    2016-04-13

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  15. Aromatic graphene

    Das, D. K.; Sahoo, S.

    2016-01-01

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  16. Graphene-on-silicon hybrid plasmonic-photonic integrated circuits.

    Xiao, Ting-Hui; Cheng, Zhenzhou; Goda, Keisuke

    2017-06-16

    Graphene surface plasmons (GSPs) have shown great potential in biochemical sensing, thermal imaging, and optoelectronics. To excite GSPs, several methods based on the near-field optical microscope and graphene nanostructures have been developed in the past few years. However, these methods suffer from their bulky setups and low GSP-excitation efficiency due to the short interaction length between free-space vertical excitation light and the atomic layer of graphene. Here we present a CMOS-compatible design of graphene-on-silicon hybrid plasmonic-photonic integrated circuits that achieve the in-plane excitation of GSP polaritons as well as localized surface plasmon (SP) resonance. By employing a suspended membrane slot waveguide, our design is able to excite GSP polaritons on a chip. Moreover, by utilizing a graphene nanoribbon array, we engineer the transmission spectrum of the waveguide by excitation of localized SP resonance. Our theoretical and computational study paves a new avenue to enable, modulate, and monitor GSPs on a chip, potentially applicable for the development of on-chip electro-optic devices.

  17. Enhancing optical response of graphene through stochastic resonance

    Ying, Lei; Huang, Liang; Lai, Ying-Cheng

    2018-04-01

    Enhancing the optical response of graphene is a topic of interest with applications in optoelectronics. Subject to light irradiation, graphene can exhibit nontrivial topologically insulating states, effectively turning itself into a Floquet topological insulator due to the time periodicity of the external driving. We find that, when random disorder is present, its interplay with the topologically insulating states can have a dramatic effect on electronic transport through graphene. In particular, we consider the prototypical setting where a graphene nanoribbon is irradiated by circularly polarized light, where the length of the nanoribbon is sufficiently long so that evanescent states have little effect on transport. We uncover a resonance phenomenon in which the conductance is enhanced as the disorder strength is increased from zero, reaches a maximum value for an optimal level of disorder, and decreases as the disorder is strengthened further. With respect to its value at the zero-disorder strength, the maximum conductance value can be as much as 50 % higher. Qualitatively, this can be understood as a result of the dynamical interplay between disorder and Floquet states (channels) generated by light irradiation. Quantitatively, the resonance phenomenon can be explained in the framework of Born theory, where the disorder reorganizes the Floquet Hamiltonian and enhances the effective coupling between the adjacent Floquet conducting channels. That is, disorder is capable of promoting both photon absorption and emission, leading to significant enhancement of nonequilibrium electronic transport. We demonstrate the robustness of the resonance phenomenon by investigating the effects of spatial symmetry breaking on transport and provide an understanding based on analyzing the behavior of the density of states of the Floquet channels.

  18. Properties on the edge: graphene edge energies, edge stresses, edge warping, and the Wulff shape of graphene flakes

    Branicio, Paulo S; Jhon, Mark H; Gan, Chee Kwan; Srolovitz, David J

    2011-01-01

    It has been shown that the broken bonds of an unreconstructed graphene edge generate compressive edge stresses leading to edge warping. Here, we investigate edge energies and edge stresses of graphene nanoribbons with arbitrary orientations from armchair to zigzag, considering both flat and warped edge shapes in the presence and absence of hydrogen. We use the second generation reactive empirical bond order potential to calculate the edge energies and stresses for clean and hydrogenated edges. Using these energies, we perform a Wulff construction to determine the equilibrium shapes of flat graphene flakes as a function of hydrogen chemical potential. While edge stresses for clean, flat edges are compressive, they become tensile if allowed to warp. Conversely, we find that edge energies change little (∼1%) with edge warping. Hydrogenation of the edges virtually eliminates both the edge energy and edge stresses. For warped edges an approximately linear relationship is found between amplitudes and wavelengths. The equilibrium shape of a graphene flake is determined by the value of the hydrogen chemical potential. For very small (and large) values of it the flakes have a nearly hexagonal (dodecagon) shape with zigzag oriented edges, while for intermediate values graphene flakes are found with complex shapes

  19. Transport characteristics of a silicene nanoribbon on Ag(110

    Ryoichi Hiraoka

    2017-08-01

    Full Text Available We present the transport characteristics of individual silicene nanoribbons (SiNRs grown on Ag(110. By lifting up a single SiNR with a low-temperature scanning tunneling microscope tip, a nanojunction consisting of tip, SiNR and Ag is fabricated. In the differential conductance spectra of the nanojunctions fabricated by this methodology, a peak appears at the Fermi level which is not observed in the spectra measured either for the SiNRs before being lifted up or the clean Ag substrate. We discuss the origin of the peak as it relates to the SiNR.

  20. Strontium vanadate nanoribbons: Synthesis, characterization and detection of dopamine

    Zhou, Qing; Shao, Mingwang; Chen, Tao; Xu, Hongyan

    2010-01-01

    Large-scale, high-purity and uniform strontium vanadate (Sr 2 V 2 O 7 ) nanoribbons were easily synthesized via a hydrothermal process without any surfactants. The as-prepared products were up to hundreds of micrometers in length, 200-600 nm in width, and 20 nm in thickness. These nanomaterials were employed to modify glassy carbon electrode, which displayed excellent electrochemical sensitivity in detecting dopamine in the presence of ascorbic acid. A linear relationship between the concentrations of dopamine and its oxidation peak currents was obtained. The modified electrode exhibited high reproducibility and stability, which might be found potential application in the biosensors.

  1. EDITORIAL: Epitaxial graphene Epitaxial graphene

    de Heer, Walt A.; Berger, Claire

    2012-04-01

    Graphene is widely regarded as an important new electronic material with interesting two-dimensional electron gas properties. Not only that, but graphene is widely considered to be an important new material for large-scale integrated electronic devices that may eventually even succeed silicon. In fact, there are countless publications that demonstrate the amazing applications potential of graphene. In order to realize graphene electronics, a platform is required that is compatible with large-scale electronics processing methods. It was clear from the outset that graphene grown epitaxially on silicon carbide substrates was exceptionally well suited as a platform for graphene-based electronics, not only because the graphene sheets are grown directly on electronics-grade silicon carbide (an important semiconductor in its own right), but also because these sheets are oriented with respect to the semiconductor. Moreover, the extremely high temperatures involved in production assure essentially defect-free and contamination-free materials with well-defined interfaces. Epitaxial graphene on silicon carbide is not a unique material, but actually a class of materials. It is a complex structure consisting of a reconstructed silicon carbide surface, which, for planar hexagonal silicon carbide, is either the silicon- or the carbon-terminated face, an interfacial carbon rich layer, followed by one or more graphene layers. Consequently, the structure of graphene films on silicon carbide turns out to be a rich surface-science puzzle that has been intensively studied and systematically unravelled with a wide variety of surface science probes. Moreover, the graphene films produced on the carbon-terminated face turn out to be rotationally stacked, resulting in unique and important structural and electronic properties. Finally, in contrast to essentially all other graphene production methods, epitaxial graphene can be grown on structured silicon carbide surfaces to produce graphene

  2. Graphene Nanodevices

    Calado, V.E.

    2013-01-01

    This thesis describes a divergent set of experiments on graphene, a one-atom thin sheet of carbon. We employ graphene’s unique properties to explore fundamental physics and novel applications. This is done by nano fabricating graphene to nanodevices, which are subject to experiments. Here we first

  3. Graphene Electrodes

    Pizzocchero, Filippo

    The production of graphene and the other 2D materials is presented in the beginning of this thesis. Micromechanical exfoliation is the best method for obtaining relatively small and top quality samples. The invention of Graphene Finder simplifies the procedure of finding the exfoliated flakes...... in copper thin films is studied and found to be detrimental for the growth of graphene. The modified synthesis of rGO is introduced, as rGO represents a cheap alternative to CVD for large scale production of graphene. The transfer of flakes is performed by several methods, such as with PVA/PMMA support, CAB...... wedging and the pick-up technique with hBN. Several important improvements of the pick-up technique are introduced. These allowed us to transfer any 2D crystals and patterned graphene flakes with PMMA residues. We also developed the drop-down technique, which is used to release any crystal on the surface...

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

    Hu, Tao; Hong, Jisang, E-mail: hongj@pknu.ac.kr [Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2015-08-07

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

  5. Electromechanical field effect transistors based on multilayer phosphorene nanoribbons

    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.

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

    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.

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

    Bilić, Ante; Sanvito, Stefano

    2012-01-01

    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.

  8. Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP

    Longo, R C; Carrete, J; Alemany, M M G; Gallego, L J

    2013-01-01

    Unlike graphene, a hexagonal InP sheet (HInPS) cannot be obtained by mechanical exfoliation from the native bulk InP, which crystallizes in the zinc blende structure under ambient conditions. However, by ab initio density functional theory calculations we found that a slightly buckled HInPS is stable both in pristine form and when doped with Zn atoms; the same occurred for hydrogen-passivated zigzag InP nanoribbons (ZInPNRs), quasi-one-dimensional versions of the quasi-two-dimensional material. We investigated the electronic properties of both nanostructures, in the latter case also in the presence of an external transverse electric field, and the results are compared with those of hypothetical planar HInPS and ZInPNRs. The band gaps of planar ZInPNRs were found to be tunable by the choice of strength of this field, and to show an asymmetric behavior under weak electric fields, by which the gap can either be increased or decreased depending on their direction; however, this effect is absent from slightly buckled ZInPNRs. The binding energies of the acceptor impurity states of Zn-doped HInPS and ZInPNRs were found to be similar and much larger than that of Zn-doped bulk InP. These latter findings show that the reduction of the dimensionality of these materials limits the presence of free carriers. (paper)

  9. Flexible Graphene-Based Wearable Gas and Chemical Sensors.

    Singh, Eric; Meyyappan, M; Nalwa, Hari Singh

    2017-10-11

    Wearable electronics is expected to be one of the most active research areas in the next decade; therefore, nanomaterials possessing high carrier mobility, optical transparency, mechanical robustness and flexibility, lightweight, and environmental stability will be in immense demand. Graphene is one of the nanomaterials that fulfill all these requirements, along with other inherently unique properties and convenience to fabricate into different morphological nanostructures, from atomically thin single layers to nanoribbons. Graphene-based materials have also been investigated in sensor technologies, from chemical sensing to detection of cancer biomarkers. The progress of graphene-based flexible gas and chemical sensors in terms of material preparation, sensor fabrication, and their performance are reviewed here. The article provides a brief introduction to graphene-based materials and their potential applications in flexible and stretchable wearable electronic devices. The role of graphene in fabricating flexible gas sensors for the detection of various hazardous gases, including nitrogen dioxide (NO 2 ), ammonia (NH 3 ), hydrogen (H 2 ), hydrogen sulfide (H 2 S), carbon dioxide (CO 2 ), sulfur dioxide (SO 2 ), and humidity in wearable technology, is discussed. In addition, applications of graphene-based materials are also summarized in detecting toxic heavy metal ions (Cd, Hg, Pb, Cr, Fe, Ni, Co, Cu, Ag), and volatile organic compounds (VOCs) including nitrobenzene, toluene, acetone, formaldehyde, amines, phenols, bisphenol A (BPA), explosives, chemical warfare agents, and environmental pollutants. The sensitivity, selectivity and strategies for excluding interferents are also discussed for graphene-based gas and chemical sensors. The challenges for developing future generation of flexible and stretchable sensors for wearable technology that would be usable for the Internet of Things (IoT) are also highlighted.

  10. Electronic and magnetic properties of MoSe2 armchair nanoribbons controlled by the different edge structures

    Zhang, Hui; Zhao, Xu; Gao, Yonghui; Wang, Haiyang; Wang, Tianxing; Wei, Shuyi

    2018-03-01

    Tow-dimensional materials obviously have potential applications in next-generation nanodevices because of their extraordinary physical and chemical properties and the demands of the market. Using first-principle calculation based on density functional theory, we explore electronic and magnetic properties of the different nanoribbons with various edge structures, namely, with hydrogenation or not. In addition, we also calculate the binding energy to analyze the stability of the nanoribbon. Our calculations tell us that the passivated nanoribbons have the positive binding energies, which indicates the passivated nanoribbons are relative stable and hydrogenation can improve the stability of the bare nanoribbons due to the reduction of the dangling bonds. Among of them, full hydrogenation has the highest stability. We find all the nanoribbons with full and without hydrogenation are nonmagnetic semiconductors. It is worth mentioning that hydrogenation can induce the bare nanoribbons to transform gradually from indirect band gap semiconductor to direct band gap semiconductor, even to half-metal. In addition, the magnetic moment of the bare nanoribbon change bit by bit as the rate of hydrogenation increases. When the edge atoms are fully hydrogenated, the magnetic moment return to zero. What's more, our research results still confirm that electronic and magnetic properties of the nanorribons without and with different edge passivation are mainly contributed by the atoms at the edges. These studies about MoSe2 nanoribbons will shed light on the further development of the relevant nanodevices in versatile applications, such as spintronics and energy harvesting.

  11. Superlubricating graphene and graphene oxide films

    Sumant, Anirudha V.; Erdemir, Ali; Choi, Junho; Berman, Diana

    2018-02-13

    A system and method for forming at least one of graphene and graphene oxide on a substrate and an opposed wear member. The system includes graphene and graphene oxide formed by an exfoliation process or solution processing method to dispose graphene and/or graphene oxide onto a substrate. The system further includes an opposing wear member disposed on another substrate and a gas atmosphere of an inert gas like N2, ambient, a humid atmosphere and a water solution.

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

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

    2017-12-21

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

  13. Inter-ribbon tunneling in graphene: An atomistic Bardeen approach

    Van de Put, Maarten L., E-mail: maarten.vandeput@uantwerpen.be; Magnus, Wim [Department of Physics, Universiteit Antwerpen, B-2020 Antwerpen (Belgium); imec, B-3001 Heverlee (Belgium); Vandenberghe, William G.; Fischetti, Massimo V. [Department of Material Science, University of Texas at Dallas, Texas 75080 (United States); Sorée, Bart [Department of Physics, Universiteit Antwerpen, B-2020 Antwerpen (Belgium); imec, B-3001 Heverlee (Belgium); Department of Electrical Engineering, KU Leuven, B-3001 Leuven (Belgium)

    2016-06-07

    A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases in current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states.

  14. Graphene-Based Functional Architectures: Sheets Regulation and Macrostructure Construction toward Actuators and Power Generators.

    Cheng, Huhu; Huang, Yaxin; Shi, Gaoquan; Jiang, Lan; Qu, Liangti

    2017-07-18

    Graphene, with large delocalized π electron cloud on a two-dimensional (2D) atom-thin plane, possesses excellent carrier mobility, large surface area, high light transparency, high mechanical strength, and superior flexibility. However, the lack of intrinsic band gap, poor dispersibility, and weak reactivity of graphene hinder its application scope. Heteroatom-doping regulation and surface modification of graphene can effectively reconstruct the sp 2 bonded carbon atoms and tailor the surface chemistry and interfacial interaction, while microstructure mediation on graphene can induce the special chemical and physical properties because of the quantum confinement, edge effect, and unusual mass transport process. Based on these regulations on graphene, series of methods and techniques are developed to couple the promising characters of graphene into the macroscopic architectures for potential and practical applications. In this Account, we present our effort on graphene regulation from chemical modification to microstructure control, from the morphology-designed macroassemblies to their applications in functional systems excluding the energy-storage devices. We first introduce the chemically regulative graphene with incorporated heteroatoms into the honeycomb lattice, which could open the intrinsic band gap and provide many active sites. Then the surface modification of graphene with functional components will improve dispersibility, prevent aggregation, and introduce new functions. On the other hand, microstructure mediation on graphene sheets (e.g., 0D quantum dots, 1D nanoribbons, and 2D nanomeshes) is demonstrated to induce special chemical and physical properties. Benefiting from the effective regulation on graphene sheets, diverse methods including dimension-confined strategy, filtration assembly, and hydrothermal treatment have been developed to assemble individual graphene sheets to macroscopic graphene fibers, films, and frameworks. These rationally

  15. Rebar Graphene

    2015-01-01

    As the cylindrical sp2-bonded carbon allotrope, carbon nanotubes (CNTs) have been widely used to reinforce bulk materials such as polymers, ceramics, and metals. However, both the concept demonstration and the fundamental understanding on how 1D CNTs reinforce atomically thin 2D layered materials, such as graphene, are still absent. Here, we demonstrate the successful synthesis of CNT-toughened graphene by simply annealing functionalized CNTs on Cu foils without needing to introduce extraneous carbon sources. The CNTs act as reinforcing bar (rebar), toughening the graphene through both π–π stacking domains and covalent bonding where the CNTs partially unzip and form a seamless 2D conjoined hybrid as revealed by aberration-corrected scanning transmission electron microscopy analysis. This is termed rebar graphene. Rebar graphene can be free-standing on water and transferred onto target substrates without needing a polymer-coating due to the rebar effects of the CNTs. The utility of rebar graphene sheets as flexible all-carbon transparent electrodes is demonstrated. The in-plane marriage of 1D nanotubes and 2D layered materials might herald an electrical and mechanical union that extends beyond carbon chemistry. PMID:24694285

  16. Epitaxial graphene

    de Heer, Walt A.; Berger, Claire; Wu, Xiaosong; First, Phillip N.; Conrad, Edward H.; Li, Xuebin; Li, Tianbo; Sprinkle, Michael; Hass, Joanna; Sadowski, Marcin L.; Potemski, Marek; Martinez, Gérard

    2007-07-01

    Graphene multilayers are grown epitaxially on single crystal silicon carbide. This system is composed of several graphene layers of which the first layer is electron doped due to the built-in electric field and the other layers are essentially undoped. Unlike graphite the charge carriers show Dirac particle properties (i.e. an anomalous Berry's phase, weak anti-localization and square root field dependence of the Landau level energies). Epitaxial graphene shows quasi-ballistic transport and long coherence lengths; properties that may persist above cryogenic temperatures. Paradoxically, in contrast to exfoliated graphene, the quantum Hall effect is not observed in high-mobility epitaxial graphene. It appears that the effect is suppressed due to the absence of localized states in the bulk of the material. Epitaxial graphene can be patterned using standard lithography methods and characterized using a wide array of techniques. These favorable features indicate that interconnected room temperature ballistic devices may be feasible for low-dissipation high-speed nanoelectronics.

  17. Large spin Seebeck effects in zigzag-edge silicene nanoribbons

    Yang, Xi-Feng; Liu, Yu-Shen; Feng, Jin-Fu; Wang, Xue-Feng

    2014-01-01

    Using the first-principles methods, we investigate the thermospin properties of a two-probe model based on zigzag-edge silicene nanoribbons (ZSiNRs). Compared with the odd-width ZSiNRs, the spin Seebeck coefficient of the even-width ZSiNRs is obviously enhanced at room temperature. This fact is attributed to a nearly perfect symmetry of the linear conductance gap with the different spin index with respect to the Fermi level induced by the different parity of the wave functions. More interestingly, the corresponding charge Seebeck coefficient is near zero. Therefore, when a thermal bias is presented in the even-width ZSiNRs, a nearly pure spin current is achieved. Meanwhile, the spin polarization of the current approaches infinite

  18. Nonsymmorphic symmetry-protected topological modes in plasmonic nanoribbon lattices

    Zhang, Yong-Liang; Wu, Raymond P. H.; Kumar, Anshuman; Si, Tieyan; Fung, Kin Hung

    2018-04-01

    Using a dynamic eigenresponse theory, we study the topological edge plasmon modes in dispersive plasmonic lattices constructed by unit cells of multiple nanoribbons. In dipole approximation, the bulk-edge correspondence in the lattices made of dimerized unit cell and one of its square-root daughter with nonsymmorphic symmetry are demonstrated. Calculations with consideration of dynamic long-range effects and retardation are compared to those given by nearest-neighbor approximations. It is shown that nonsymmorphic symmetry opens up two symmetric gaps where versatile topological edge plasmon modes are found. Unprecedented spectral shifts of the edge states with respect to the zero modes due to long-range coupling are found. The proposed ribbon structure is favorable to electrical gating and thus could serve as an on-chip platform for electrically controllable subwavelength edge states at optical wavelengths. Our eigenresponse approach provides a powerful tool for the radiative topological mode analysis in strongly coupled plasmonic lattices.

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

    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.

  20. Matching 4.7-Å XRD spacing in amelogenin nanoribbons and enamel matrix.

    Sanii, B; Martinez-Avila, O; Simpliciano, C; Zuckermann, R N; Habelitz, S

    2014-09-01

    The recent discovery of conditions that induce nanoribbon structures of amelogenin protein in vitro raises questions about their role in enamel formation. Nanoribbons of recombinant human full-length amelogenin (rH174) are about 17 nm wide and self-align into parallel bundles; thus, they could act as templates for crystallization of nanofibrous apatite comprising dental enamel. Here we analyzed the secondary structures of nanoribbon amelogenin by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) and tested if the structural motif matches previous data on the organic matrix of enamel. XRD analysis showed that a peak corresponding to 4.7 Å is present in nanoribbons of amelogenin. In addition, FTIR analysis showed that amelogenin in the form of nanoribbons was comprised of β-sheets by up to 75%, while amelogenin nanospheres had predominantly random-coil structure. The observation of a 4.7-Å XRD spacing confirms the presence of β-sheets and illustrates structural parallels between the in vitro assemblies and structural motifs in developing enamel. © International & American Associations for Dental Research.

  1. Effects of quantum statistics of phonons on the thermal conductivity of silicon and germanium nanoribbons

    Kosevich, Yuriy A.; Savin, Alexander V.; Cantarero, Andrés

    2013-01-01

    We present molecular dynamics simulation of phonon thermal conductivity of semiconductor nanoribbons with an account for phonon quantum statistics. In our semiquantum molecular dynamics simulation, dynamics of the system is described with the use of classical Newtonian equations of motion where the effect of phonon quantum statistics is introduced through random Langevin-like forces with a specific power spectral density (color noise). The color noise describes interaction of the molecular system with the thermostat. The thermal transport of silicon and germanium nanoribbons with atomically smooth (perfect) and rough (porous) edges are studied. We show that the existence of rough (porous) edges and the quantum statistics of phonon change drastically the low-temperature thermal conductivity of the nanoribbon in comparison with that of the perfect nanoribbon with atomically smooth edges and classical phonon dynamics and statistics. The rough-edge phonon scattering and weak anharmonicity of the considered lattice produce a weakly pronounced maximum of thermal conductivity of the nanoribbon at low temperature.

  2. Buckling-dependent switching behaviours in shifted bilayer germanene nanoribbons: A computational study

    Arjmand, T.; Tagani, M. Bagheri; Soleimani, H. Rahimpour

    2018-01-01

    Bilayer germanene nanoribbons are investigated in different stacks like buckled and flat armchair and buckled zigzag germanene nanoribbons by performing theoretical calculations using the nonequilibrium Greens function method combined with density functional theory. In these bilayer types, the current oscillates with change of interlayer distances or intra-layer overlaps and is dependent on the type of the bilayer. Band gap of AA-stacked of shifted flat bilayer armchair germanene nanoribbon oscillates by change of interlayer distance which is in contrast to buckled bilayer armchair germanene nanoribbon. So, results show the buckling makes system tend to be a semiconductor with wide band gap. Therefore, AA-stacked of shifted flat bilayer armchair germanene nanoribbon has properties between zigzag and armchair edges, the higher current under bias voltages similar to zigzag edge and also oscillations in current like buckled armchair edges. Also, it is found that HOMO-LUMO band gap strongly affects oscillation in currents and their I-V characteristic. This kind of junction improves the switching properties at low voltages around the band gap.

  3. Li4Ti5O12/graphene nanoribbons composite as anodes for lithium ion batteries

    Medina IV, PA

    2015-10-01

    Full Text Available of GNRs was observed to have significantly improved the rate per- formance of LTO/GNTs. The specific capacities determined of the obtained composite at rates of 0.2, 0.5, 1, 2, and 5 C are 206.5, 200.9, 188, 178.1 and 142.3 mAh·g−1, respectively...- ated with unmodified Li4Ti5O12 is its poor rate per- formance, resulting from its inherent low electronic conductivity and moderate Li+ diffusion coefficient (Kavan et al. 2003; Wagemaker et al. 2008; Ouyang et al. 2007). Numerous strategies amongst...

  4. Sub-10-nm Graphene Nanoribbons with Tunable Surface Functionalities for Lithium-ion Batteries

    Li, Yan-Sheng; Ao, Xiang; Liao, Jia-Liang; Jiang, Jianjun; Wang, Chundong; Chiang, Wei-Hung

    2017-01-01

    Highlights: •A green and scalable method to produce sub-10-nm GNR is present. •The surface functionality of sub-10-nm GNR is critical for the LIB properties. •The sub-10-nm GNR showed superior LIB capacity of 490.4 mAh g −1 after 100 cycles. -- Abstract: A systematic study to reveal the relationship between the surface oxygen-containing functionalities of sub-10-nm GNRs and their electrochemical properties for lithium-ion batteries has been presented. Sub-10-nm GNRs with controlled oxygen-containing groups were synthesized by a green and scalable intercalation-assisted unzipping SWCNTs. Detailed materials characterizations including TEM, XRD, Raman and XPS indicate that KNO 3 could be an effective intercalation agent to facilitate the SWCNT unzipping by reducing the strong Van der Waals force attraction of bundled SWCNT. The levels of surface functionalities of sub-10-nm GNR were tuned by carefully controlling the KMnO 4 concentration during the unzipping process. The electrochemical analysis suggests that the as-produced sub-10-nm GNR with 31.4 atomic percent (atom %) oxygen-containing functional groups showed the highest capacity of 490.4 mAh g −1 after 100 cycles. This work proposed that sub-10-nm GNRs with appropriate oxygen-functional groups can be a promising electrode material for high performance lithium-ion batteries.

  5. Effect of Edge Roughness on Static Characteristics of Graphene Nanoribbon Field Effect Transistor

    Yaser M. Banadaki

    2016-03-01

    Full Text Available In this paper, we present a physics-based analytical model of GNR FET, which allows for the evaluation of GNR FET performance including the effects of line-edge roughness as its practical specific non-ideality. The line-edge roughness is modeled in edge-enhanced band-to-band-tunneling and localization regimes, and then verified for various roughness amplitudes. Corresponding to these two regimes, the off-current is initially increased, then decreased; while, on the other hand, the on-current is continuously decreased by increasing the roughness amplitude.

  6. Low-temperature growth and photoluminescence property of ZnS nanoribbons.

    Zhang, Zengxing; Wang, Jianxiong; Yuan, Huajun; Gao, Yan; Liu, Dongfang; Song, Li; Xiang, Yanjuan; Zhao, Xiaowei; Liu, Lifeng; Luo, Shudong; Dou, Xinyuan; Mou, Shicheng; Zhou, Weiya; Xie, Sishen

    2005-10-06

    At a low temperature of 450 degrees C, ZnS nanoribbons have been synthesized on Si and KCl substrates by a simple chemical vapor deposition (CVD) method with a two-temperature-zone furnace. Zinc and sulfur powders are used as sources in the different temperature zones. X-ray diffraction (XRD), selected area electron diffraction (SEAD), and transmission electron microscopy (TEM) analysis show that the ZnS nanoribbons are the wurtzite structure, and there are two types-single-crystal and bicrystal nanoribbons. Photoluminescence (PL) spectrum shows that the spectrum mainly includes two parts: a purple emission band centering at about 390 nm and a blue emission band centering at about 445 nm with a weak green shoulder around 510 nm.

  7. Spin transport properties of partially edge-hydrogenated MoS2 nanoribbon heterostructure

    Peng, Li; Yao, Kailun; Zhu, Sicong; Ni, Yun; Zu, Fengxia; Wang, Shuling; Guo, Bin; Tian, Yong

    2014-01-01

    We report ab initio calculations of electronic transport properties of heterostructure based on MoS 2 nanoribbons. The heterostructure consists of edge hydrogen-passivated and non-passivated zigzag MoS 2 nanoribbons (ZMoS 2 NR-H/ZMoS 2 NR). Our calculations show that the heterostructure has half-metallic behavior which is independent of the nanoribbon width. The opening of spin channels of the heterostructure depends on the matching of particular electronic orbitals in the Mo-dominated edges of ZMoS 2 NR-H and ZMoS 2 NR. Perfect spin filter effect appears at small bias voltages, and large negative differential resistance and rectifying effects are also observed in the heterostructure.

  8. Tuning Infrared Plasmon Resonance of Black Phosphorene Nanoribbon with a Dielectric Interface.

    Debu, Desalegn T; Bauman, Stephen J; French, David; Churchill, Hugh O H; Herzog, Joseph B

    2018-02-19

    We report on the tunable edge-plasmon-enhanced absorption of phosphorene nanoribbons supported on a dielectric substrate. Monolayer anisotropic black phosphorous (phosphorene) nanoribbons are explored for light trapping and absorption enhancement on different dielectric substrates. We show that these phosphorene ribbons support infrared surface plasmons with high spatial confinement. The peak position and bandwidth of the calculated phosphorene absorption spectra are tunable with low loss over a wide wavelength range via the surrounding dielectric environment of the periodic nanoribbons. Simulation results show strong edge plasmon modes and enhanced absorption as well as a red-shift of the peak resonance wavelength. The periodic Fabry-Perot grating model was used to analytically evaluate the absorption resonance arising from the edge of the ribbons for comparison with the simulation. The results show promise for the promotion of phosphorene plasmons for both fundamental studies and potential applications in the infrared spectral range.

  9. A theoretical study of blue phosphorene nanoribbons based on first-principles calculations

    Xie, Jiafeng; Si, M. S., E-mail: sims@lzu.edu.cn; Yang, D. Z.; Zhang, Z. Y.; Xue, D. S. [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China)

    2014-08-21

    Based on first-principles calculations, we present a quantum confinement mechanism for the band gaps of blue phosphorene nanoribbons (BPNRs) as a function of their widths. The BPNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen saturation. Both the two types of nanoribbons are shown to be indirect semiconductors. An enhanced energy gap of around 1 eV can be realized when the ribbon's width decreases to ∼10 Å. The underlying physics is ascribed to the quantum confinement effect. More importantly, the parameters to describe quantum confinement are obtained by fitting the calculated band gaps with respect to their widths. The results show that the quantum confinement in armchair nanoribbons is stronger than that in zigzag ones. This study provides an efficient approach to tune the band gap in BPNRs.

  10. Electronic and magnetic properties of MoS2 nanoribbons with sulfur line vacancy defects

    Han, Yang; Zhou, Jian; Dong, Jinming

    2015-01-01

    Highlights: • We performed DFT calculations on Sulfur line defects embedded MoS 2 . • The defects induced bond strains are larger in the zigzag (ZZ) edge ones. • The ZZ ones are metals, having two degenerate ground states FM and AFM. • The armchair ones are nonmagnetic semiconductors. • The defects can induce some defect states in the electronic structures. - Abstract: Motivated by the recent experimental result that single sulfur vacancies in monolayer MoS 2 are mobile under the electron beam and easily agglomerate into the sulfur line vacancy defects [Physical Review B 88, 035301(2013)] , the structural, electronic and magnetic properties of one dimensional zigzag (ZZ) and armchair (AC) edge MoS 2 nanoribbons with single or double staggered sulfur line vacancy defects (hereafter, abbreviated as SV or DV, respectively), parallel to their edges, have been investigated systematically by density functional theory calculations. It is very interesting to find that the bond strains induced by the sulfur line vacancy defect can cause a much larger out-of plane distortions in the ZZ edge MoS 2 nanoribbon than in the AC edge counterpart. Besides, the defective ZZ edge MoS 2 nanoribbons with SV or DV are both metals, having their two respective degenerate ground states with the same energy, among which one is ferromagnetic (FM “ + +”) and the other is antiferromagnetic (AFM “ + −”). But the AC edge MoS 2 nanoribbons with SV or DV are both nonmagnetic semiconductors, having very different gap values. Finally, the sulfur line vacancy defects would induce some defect states in the electronic structures of the defective MoS 2 nanoribbons. All these important results could provide a new route of tuning the electronic properties of MoS 2 nanoribbons and its derivatives for their promising applications in nanoelectronics and optoelectronics

  11. Electronic and magnetic properties of MoS{sub 2} nanoribbons with sulfur line vacancy defects

    Han, Yang [Group of Computational Condensed Matter Physics, National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Zhou, Jian [National Laboratory of Solid State Microstructures and Department of Materials Science and Engineering, Nanjing University, Nanjing 210093 (China); Dong, Jinming, E-mail: jdong@nju.edu.cn [Group of Computational Condensed Matter Physics, National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China)

    2015-08-15

    Highlights: • We performed DFT calculations on Sulfur line defects embedded MoS{sub 2}. • The defects induced bond strains are larger in the zigzag (ZZ) edge ones. • The ZZ ones are metals, having two degenerate ground states FM and AFM. • The armchair ones are nonmagnetic semiconductors. • The defects can induce some defect states in the electronic structures. - Abstract: Motivated by the recent experimental result that single sulfur vacancies in monolayer MoS{sub 2} are mobile under the electron beam and easily agglomerate into the sulfur line vacancy defects [Physical Review B 88, 035301(2013)] , the structural, electronic and magnetic properties of one dimensional zigzag (ZZ) and armchair (AC) edge MoS{sub 2} nanoribbons with single or double staggered sulfur line vacancy defects (hereafter, abbreviated as SV or DV, respectively), parallel to their edges, have been investigated systematically by density functional theory calculations. It is very interesting to find that the bond strains induced by the sulfur line vacancy defect can cause a much larger out-of plane distortions in the ZZ edge MoS{sub 2} nanoribbon than in the AC edge counterpart. Besides, the defective ZZ edge MoS{sub 2} nanoribbons with SV or DV are both metals, having their two respective degenerate ground states with the same energy, among which one is ferromagnetic (FM “ + +”) and the other is antiferromagnetic (AFM “ + −”). But the AC edge MoS{sub 2} nanoribbons with SV or DV are both nonmagnetic semiconductors, having very different gap values. Finally, the sulfur line vacancy defects would induce some defect states in the electronic structures of the defective MoS{sub 2} nanoribbons. All these important results could provide a new route of tuning the electronic properties of MoS{sub 2} nanoribbons and its derivatives for their promising applications in nanoelectronics and optoelectronics.

  12. Tuning thermal conduction via extended defects in graphene

    Huang, Huaqing; Xu, Yong; Zou, Xiaolong; Wu, Jian; Duan, Wenhui

    2013-05-01

    Designing materials for desired thermal conduction can be achieved via extended defects. We theoretically demonstrate the concept by investigating thermal transport in graphene nanoribbons (GNRs) with the extended line defects observed by recent experiments. Our nonequilibrium Green's function study excluding phonon-phonon interactions finds that thermal conductance can be tuned over wide ranges (more than 50% at room temperature), by controlling the orientation and the bond configuration of the embedded extended defect. Further transmission analysis reveals that the thermal-conduction tuning is attributed to two fundamentally different mechanisms, via modifying the phonon dispersion and/or tailoring the strength of defect scattering. The finding, applicable to other materials, provides useful guidance for designing materials with desired thermal conduction.

  13. Direct nano-patterning of graphene with helium ion beams

    Naitou, Y., E-mail: yu-naitou@aist.go.jp [Nanoelectronics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8562 (Japan); Iijima, T.; Ogawa, S. [Nanoelectronics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), 16-1 Onogawa, Tsukuba 305-8569 (Japan)

    2015-01-19

    Helium ion microscopy (HIM) was used for direct nano-patterning of single-layer graphene (SLG) on SiO{sub 2}/Si substrates. This technique involves irradiation of the sample with accelerated helium ions (He{sup +}). Doses of 2.0 × 10{sup 16 }He{sup + }cm{sup −2} from a 30 kV beam induced a metal-insulator transition in the SLG. The resolution of HIM patterning on SLG was investigated by fabricating nanoribbons and nanostructures. Analysis of scanning capacitance microscopy measurements revealed that the spatial resolution of HIM patterning depended on the dosage of He{sup +} in a non-monotonic fashion. Increasing the dose from 2.0 × 10{sup 16} to 5.0 × 10{sup 16 }He{sup + }cm{sup −2} improved the spatial resolution to several tens of nanometers. However, doses greater than 1.0 × 10{sup 17 }He{sup + }cm{sup −2} degraded the patterning characteristics. Direct patterning using HIM is a versatile approach to graphene fabrication and can be applied to graphene-based devices.

  14. A graphene spin diode based on Rashba SOI

    Mohammadpour, Hakimeh

    2015-01-01

    In this paper a graphene-based two-terminal electronic device is modeled for application in spintronics. It is based on a gapped armchair graphene nanoribbon (GNR). The electron transport is considered through a scattering or channel region which is sandwiched between two lateral semi-infinite ferromagnetic leads. The two ferromagnetic leads, being half-metallic, are supposed to be in either parallel or anti-parallel magnetization. Meanwhile, the central channel region is a normal layer under the influence of the Rashba SOI, induced e.g., by the substrate. The device operation is based on modulating the (spin-) current by tuning the strength of the RSOI. The resultant current, being spin-polarized, is controlled by the RSOI in mutual interplay with the channel length. Inverting alternating bias voltage to a fully rectified spin-current is the main achievement of this paper. - Highlights: • Graphene-based electronic device is modeled with ferromagnetic leads. • The device operation is based on modulating the (spin-) current by Rashba SOI. • Inverting alternating bias voltage to rectified spin-current is the main achievement

  15. Chiral anomaly and anomalous finite-size conductivity in graphene

    Shen, Shun-Qing; Li, Chang-An; Niu, Qian

    2017-09-01

    Graphene is a monolayer of carbon atoms packed into a hexagon lattice to host two spin degenerate pairs of massless two-dimensional Dirac fermions with different chirality. It is known that the existence of non-zero electric polarization in reduced momentum space which is associated with a hidden chiral symmetry will lead to the zero-energy flat band of a zigzag nanoribbon and some anomalous transport properties. Here it is proposed that the Adler-Bell-Jackiw chiral anomaly or non-conservation of chiral charges of Dirac fermions at different valleys can be realized in a confined ribbon of finite width, even in the absence of a magnetic field. In the laterally diffusive regime, the finite-size correction to conductivity is always positive and is inversely proportional to the square of the lateral dimension W, which is different from the finite-size correction inversely proportional to W from the boundary modes. This anomalous finite-size conductivity reveals the signature of the chiral anomaly in graphene, and it is measurable experimentally. This finding provides an alternative platform to explore the purely quantum mechanical effect in graphene.

  16. Direct nano-patterning of graphene with helium ion beams

    Naitou, Y.; Iijima, T.; Ogawa, S.

    2015-01-01

    Helium ion microscopy (HIM) was used for direct nano-patterning of single-layer graphene (SLG) on SiO 2 /Si substrates. This technique involves irradiation of the sample with accelerated helium ions (He + ). Doses of 2.0 × 10 16  He +  cm −2 from a 30 kV beam induced a metal-insulator transition in the SLG. The resolution of HIM patterning on SLG was investigated by fabricating nanoribbons and nanostructures. Analysis of scanning capacitance microscopy measurements revealed that the spatial resolution of HIM patterning depended on the dosage of He + in a non-monotonic fashion. Increasing the dose from 2.0 × 10 16 to 5.0 × 10 16  He +  cm −2 improved the spatial resolution to several tens of nanometers. However, doses greater than 1.0 × 10 17  He +  cm −2 degraded the patterning characteristics. Direct patterning using HIM is a versatile approach to graphene fabrication and can be applied to graphene-based devices

  17. Pressure-induced phase transitions in single-crystalline Cu4Bi4S9 nanoribbons

    Hu Jing-Yu; Li Jing; Zhao Qing; Shi Li-Jie; Zou Bing-Suo; Zhang Si-Jia; Zhao Hao-Fei; Zhang Qing-Hua; Yao Yuan; Zhu Ke; Liu Yu-Long; Jin Chang-Qing; Yu Ri-Cheng; Li Yan-Chun; Li Xiao-Dong; Liu Jing

    2013-01-01

    In situ angle dispersive synchrotron X-ray diffraction and Raman scattering measurements under pressure are employed to study the structural evolution of Cu 4 Bi 4 S 9 nanoribbons, which are fabricated by using a facile solvothermal method. Both experiments show that a structural phase transition occurs near 14.5 GPa, and there is a pressure-induced reversible amorphization at about 25.6 GPa. The electrical transport property of a single Cu 4 Bi 4 S 9 nanoribbon under different pressures is also investigated

  18. Realizing stable fully spin polarized transport in SiC nanoribbons with dopant

    Tao, Xixi; Wang, Xianlong; Zheng, Xiaohong, E-mail: xhzheng@theory.issp.ac.cn; Zeng, Zhi [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); University of Science and Technology of China, Hefei 230026 (China); Hao, Hua [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2016-06-06

    Intrinsic half-metallicity recently reported in zigzag edged SiC nanoribbons is basically undetectable due to negligible energy difference between the antiferromagnetic (AFM) and ferromagnetic (FM) configurations. In this Letter, by density functional theory calculations, we demonstrate a scheme of N doping at the carbon edge to selectively close the edge state channel at this edge and achieve 100% spin filtering, no matter whether it is in an AFM state or FM state. This turns SiC nanoribbon into a promising material for obtaining stable and completely spin polarized transport and may find application in spintronic devices.

  19. Detection of nucleic acids by graphene-based devices: A first-principles study

    Zhang, Hua [School of Physics and Electronics, Central South University, Changsha 410083 (China); School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114 (China); Xu, Hui, E-mail: xuhui@csu.edu.cn, E-mail: ouyangfp06@tsinghua.org.cn; Ni, Xiang; Lin Peng, Sheng; Liu, Qi; Ping OuYang, Fang, E-mail: xuhui@csu.edu.cn, E-mail: ouyangfp06@tsinghua.org.cn [School of Physics and Electronics, Central South University, Changsha 410083 (China)

    2014-04-07

    Based on first-principles quantum transport calculations, we design a graphene-based biosensor device, which is composed of graphene nanoribbons electrodes and a biomolecule. It is found that when different nucleobases or poly nucleobase chains are located in the nanogap, the device presents completely different transport properties, showing different current informations. And the change of currents from 2 to 5 orders of magnitude for four different nucleobases suggests a great ability of discrimination by utilizing such a device. The physical mechanism of this phenomenon originates from their different chemical composition and structure. Moreover, we also explore the coupling effect of several neighboring bases and the size effect of the nanogap on transport properties. Our results show the possibility of rapid sequencing DNA by measuring such a transverse-current of the device, and provide a new idea for sequencing DNA.

  20. Edge effects on the electronic properties of phosphorene nanoribbons

    Peng, Xihong; Copple, Andrew; Wei, Qun

    2014-01-01

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

  1. Quantum transport in defective phosphorene nanoribbons: Effects of atomic vacancies

    Li, L. L.; Peeters, F. M.

    2018-02-01

    Defects are almost inevitably present in realistic materials and defective materials are expected to exhibit very different properties than their nondefective (perfect) counterparts. Here, using a combination of the tight-binding approach and the scattering matrix formalism, we investigate the electronic transport properties of defective phosphorene nanoribbons (PNRs) containing atomic vacancies. We find that for both armchair PNRs (APNRs) and zigzag PNRs (ZPNRs), single vacancies can create quasilocalized states, which can affect their conductance. With increasing vacancy concentration, three different transport regimes are identified: ballistic, diffusive, and Anderson localized ones. In particular, ZPNRs that are known to be metallic due to the presence of edge states become semiconducting: edge conductance vanishes and transport gap appears due to Anderson localization. Moreover, we find that for a fixed vacancy concentration, both APNRs and ZPNRs of narrower width and/or longer length are more sensitive to vacancy disorder than their wider and/or shorter counterparts, and that for the same ribbon length and width, ZPNRs are more sensitive to vacancy disorder than APNRs.

  2. Edge effects on the electronic properties of phosphorene nanoribbons

    Peng, Xihong, E-mail: xihong.peng@asu.edu [School of Letters and Sciences, Arizona State University, Mesa, Arizona 85212 (United States); Copple, Andrew [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States); Wei, Qun [School of Letters and Sciences, Arizona State University, Mesa, Arizona 85212 (United States); School of Physics and Optoelectronic Engineering, Xidian University, Xi' an 710071 (China)

    2014-10-14

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

  3. UV/O 3 Generated Graphene Nanomesh: Formation Mechanism, Properties, and FET Studies

    Yang, Da-Peng; Wang, Xiansong; Guo, Xiaojun; Zhi, Xiao; Wang, Kan; Li, Chao; Huang, Gaoshan; Shen, Guangxia; Mei, Yongfeng; Cui, Daxiang

    2014-01-01

    The bandgap engineering of graphene is a challenging task for its potential application. Forming unique structures such as nanoribbons or nanomeshes is an effective way to open up a bandgap in graphene. In this work, a graphene nanomesh (GNM) was prepared through UV-mediated oxidation of a graphene oxide (GO) film at atmosphere. Atomic force microscopy (AFM) was used to track the evolution of the surface morphology of GO during the irradiation. It was observed that a nanoporous network structure was progressively produced in the basal plane, which can be attributed to the fact that highly reactive oxygen species preferentially attack sp3 carbon-rich regions of the GO. In particular, the as-prepared GNM shows interesting semiconducting characteristics and photoluminescence (PL) phenomenon, which make it become a promising candidate for the use of electronics, optoelectronics, and biomedical engineering. Finally, the field-effect transistors (FETs) were fabricated using the as-prepared GNM as the active channel. The measured electrical characteristics indicate that the use of UV/O3 is an available choice to open the bandgap of graphene and tune its properties for optoelectronics or biomedical applications. © 2013 American Chemical Society.

  4. Coulomb Oscillations in a Gate-Controlled Few-Layer Graphene Quantum Dot.

    Song, Yipu; Xiong, Haonan; Jiang, Wentao; Zhang, Hongyi; Xue, Xiao; Ma, Cheng; Ma, Yulin; Sun, Luyan; Wang, Haiyan; Duan, Luming

    2016-10-12

    Graphene quantum dots could be an ideal host for spin qubits and thus have been extensively investigated based on graphene nanoribbons and etched nanostructures; however, edge and substrate-induced disorders severely limit device functionality. Here, we report the confinement of quantum dots in few-layer graphene with tunable barriers, defined by local strain and electrostatic gating. Transport measurements unambiguously reveal that confinement barriers are formed by inducing a band gap via the electrostatic gating together with local strain induced constriction. Numerical simulations according to the local top-gate geometry confirm the band gap opening by a perpendicular electric field. We investigate the magnetic field dependence of the energy-level spectra in these graphene quantum dots. Experimental results reveal a complex evolution of Coulomb oscillations with the magnetic field, featuring kinks at level crossings. The simulation of energy spectrum shows that the kink features and the magnetic field dependence are consistent with experimental observations, implying the hybridized nature of energy-level spectrum of these graphene quantum dots.

  5. UV/O 3 Generated Graphene Nanomesh: Formation Mechanism, Properties, and FET Studies

    Yang, Da-Peng

    2014-01-09

    The bandgap engineering of graphene is a challenging task for its potential application. Forming unique structures such as nanoribbons or nanomeshes is an effective way to open up a bandgap in graphene. In this work, a graphene nanomesh (GNM) was prepared through UV-mediated oxidation of a graphene oxide (GO) film at atmosphere. Atomic force microscopy (AFM) was used to track the evolution of the surface morphology of GO during the irradiation. It was observed that a nanoporous network structure was progressively produced in the basal plane, which can be attributed to the fact that highly reactive oxygen species preferentially attack sp3 carbon-rich regions of the GO. In particular, the as-prepared GNM shows interesting semiconducting characteristics and photoluminescence (PL) phenomenon, which make it become a promising candidate for the use of electronics, optoelectronics, and biomedical engineering. Finally, the field-effect transistors (FETs) were fabricated using the as-prepared GNM as the active channel. The measured electrical characteristics indicate that the use of UV/O3 is an available choice to open the bandgap of graphene and tune its properties for optoelectronics or biomedical applications. © 2013 American Chemical Society.

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

    Cha, Judy J.; Williams, James R.; Kong, Desheng; Meister, Stefan; Peng, Hailin; Bestwick, Andrew J.; Gallagher, Patrick; Goldhaber-Gordon, David; Cui, Yi

    2010-01-01

    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.

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

    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.

  8. Self-assembled polyaniline nanotubes and nanoribbons/titanium dioxide nanocomposites

    Radoičic, M.; Šaponjic, Z.; Nedeljkovic, J.; Ciric-Marjanovic, G.; Stejskal, Jaroslav

    2010-01-01

    Roč. 160, 11-12 (2010), s. 1325-1334 ISSN 0379-6779 R&D Projects: GA ČR GA202/09/1626 Institutional research plan: CEZ:AV0Z40500505 Keywords : nanocomposites * nanoribbons * nanostructures Subject RIV: JI - Composite Materials Impact factor: 1.871, year: 2010

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

    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.

  10. Graphene prehistory

    Geim, A K

    2012-01-01

    After the 2010 Nobel Prize recognized the research breakthrough reported by our group in a 2004 paper, I feel that, as my contribution to the proceedings of the Nobel symposium held earlier in 2010, it is both appropriate and important to review pre-2004 scientific literature and acknowledge early ideas. With the benefit of hindsight, I also try to analyze why our first graphene paper has attracted so much interest.

  11. The Preparation of Graphene

    Chen Yanyan

    2015-01-01

    Graphene has unique structure and possesses excellent physical and chemical properties, and it has received a great deal of attention in related research fields. The quality, quantity and application of graphene are related to its preparation methods. At present the bottleneck of graphene research is that both high-quality and large quantity of graphene could not be obtained simultaneously and the reason is that the basic mechanism of graphene formation has mot been wel understood.

  12. Graphene and Graphene Metamaterials for Terahertz Absorbers

    Andryieuski, Andrei; Pizzocchero, Filippo; Booth, Tim

    2013-01-01

    Graphene, due to the possibility to tune its conductivity, is the promising material for a range of the terahertz (THz) applications, such as tunable reflectors, absorbers, modulators, filters and polarization converters. Subwavelength structuring of graphene in order to form metamaterials allows...... for even more control over the THz waves. In this poster presentation I will show an elegant way to describe the graphene metamaterials and the design of graphene based absorbers. I will also present our recent experimental results on the graphene absorbers characterization....

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

    Laghaei, M.; Heidari Semiromi, E.

    2018-03-01

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

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

    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.

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

    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

  16. Nanotoxicity of graphene and graphene oxide.

    Seabra, Amedea B; Paula, Amauri J; de Lima, Renata; Alves, Oswaldo L; Durán, Nelson

    2014-02-17

    Graphene and its derivatives are promising candidates for important biomedical applications because of their versatility. The prospective use of graphene-based materials in a biological context requires a detailed comprehension of the toxicity of these materials. Moreover, due to the expanding applications of nanotechnology, human and environmental exposures to graphene-based nanomaterials are likely to increase in the future. Because of the potential risk factors associated with the manufacture and use of graphene-related materials, the number of nanotoxicological studies of these compounds has been increasing rapidly in the past decade. These studies have researched the effects of the nanostructural/biological interactions on different organizational levels of the living system, from biomolecules to animals. This review discusses recent results based on in vitro and in vivo cytotoxicity and genotoxicity studies of graphene-related materials and critically examines the methodologies employed to evaluate their toxicities. The environmental impact from the manipulation and application of graphene materials is also reported and discussed. Finally, this review presents mechanistic aspects of graphene toxicity in biological systems. More detailed studies aiming to investigate the toxicity of graphene-based materials and to properly associate the biological phenomenon with their chemical, structural, and morphological variations that result from several synthetic and processing possibilities are needed. Knowledge about graphene-based materials could ensure the safe application of this versatile material. Consequently, the focus of this review is to provide a source of inspiration for new nanotoxicological approaches for graphene-based materials.

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

    Torres, V.; Faria, D.; Latgé, A.

    2018-04-01

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

  18. Graphene for Space

    National Aeronautics and Space Administration — Individual talks by JPL and Caltech experts on graphene to present the different ambits of application in which graphene is currently being used on campus,...

  19. Extrinsic morphology of graphene

    Li, Teng

    2011-01-01

    Graphene is intrinsically non-flat and corrugates randomly. Since the corrugating physics of atomically thin graphene is strongly tied to its electronics properties, randomly corrugating morphology of graphene poses a significant challenge to its application in nanoelectronic devices for which precise (digital) control is the key. Recent studies revealed that the morphology of substrate-supported graphene is regulated by the graphene–substrate interaction, thus is distinct from the random intrinsic morphology of freestanding graphene. The regulated extrinsic morphology of graphene sheds light on new pathways to fine tune the properties of graphene. To guide further research to explore these fertile opportunities, this paper reviews recent progress on modeling and experimental studies of the extrinsic morphology of graphene under a wide range of external regulation, including two-dimensional and one-dimensional substrate surface features and one-dimensional and zero-dimensional nanoscale scaffolds (e.g. nanowires and nanoparticles)

  20. Dirac Material Graphene

    Sheka, Elena F.

    2016-01-01

    The paper presents the author view on spin-rooted properties of graphene supported by numerous experimental and calculation evidences. Dirac fermions of crystalline graphene and local spins of graphene molecules are suggested to meet a strict demand - different orbitals for different spins- which leads to a large spectrum of effects caused by spin polarization of electronic states. The consequent topological non-triviality, making graphene topological insulator, and local spins, imaging graph...

  1. Graphene quantum dots

    Güçlü, Alev Devrim; Korkusinski, Marek; Hawrylak, Pawel

    2014-01-01

    This book reflects the current status of theoretical and experimental research of graphene based nanostructures, in particular quantum dots, at a level accessible to young researchers, graduate students, experimentalists and theorists. It presents the current state of research of graphene quantum dots, a single or few monolayer thick islands of graphene. It introduces the reader to the electronic and optical properties of graphite, intercalated graphite and graphene, including Dirac fermions, Berry's phase associated with sublattices and valley degeneracy, covers single particle properties of

  2. Tuning carrier mobility of phosphorene nanoribbons by edge passivation and strain

    Zhang, Xiaoou; Li, Qingfang; Xu, Bo; Wan, Bo; Yin, Jiang; Wan, X.G.

    2016-01-01

    Using first-principles calculations, we have studied the effects of different edge passivation groups on the carrier mobility of the phosphorene nanoribbons (PNRs) and strain effect on the transport property in passivated PNRs. The numerical results show that the size-dependent carrier mobility of passivated PNRs is not very sensitive to the different passivation groups, such as hydrogen (H), fluorine (F) and chlorine (Cl), but strongly associated with the orientation of nanoribbons. Passivated armchair-PNR has much larger carrier mobility than passivated zigzag-PNR at the similar ribbon width. With increasing ribbon width, the electron mobility of passivated PNRs can be further enhanced. We also find that the anisotropy of carrier mobility in passivated PNRs can be reversed by applying tensile strain resulting from order switching of the conduction bands around Fermi level.

  3. Mn-silicide nanostructures aligned on massively parallel silicon nano-ribbons

    De Padova, Paola; Ottaviani, Carlo; Ronci, Fabio; Colonna, Stefano; Quaresima, Claudio; Cricenti, Antonio; Olivieri, Bruno; Dávila, Maria E; Hennies, Franz; Pietzsch, Annette; Shariati, Nina; Le Lay, Guy

    2013-01-01

    The growth of Mn nanostructures on a 1D grating of silicon nano-ribbons is investigated at atomic scale by means of scanning tunneling microscopy, low energy electron diffraction and core level photoelectron spectroscopy. The grating of silicon nano-ribbons represents an atomic scale template that can be used in a surface-driven route to control the combination of Si with Mn in the development of novel materials for spintronics devices. The Mn atoms show a preferential adsorption site on silicon atoms, forming one-dimensional nanostructures. They are parallel oriented with respect to the surface Si array, which probably predetermines the diffusion pathways of the Mn atoms during the process of nanostructure formation.

  4. Electronic structure and transport properties of zigzag MoS2 nanoribbons

    Sharma, Uma Shankar; Shah, Rashmi; Mishra, Pankaj Kumar

    2018-05-01

    In present study, electronic and transport properties of the 8zigzag MoS2 nanoribbons (8ZMoS2NRs) are investigated using ab-initio density functional theory [DFT]. The calculations were performed using nonequilibrium Green's function (NEGF) formalism based on DFT as implemented in the TranSiesta code. Results show that the defect can introduces few extra states into the energy gap, which lead nanoribbons to reveal a metallic characteristic. The voltage-current (VI) graph of 8ZMoS2NRs show a threshold current increases after introducing Mo defect in the devices. when introducing a Mo vacancy under low biases, the current will be suppressed—whereas under high biases, the current through the defected 8ZMoS2NRs will increases rapidly, due to the other channel being opened, that make possibility of 8ZMoS2NRs application in electronic devices such as voltage regulation.

  5. First-principles investigation on structural and electronic properties of antimonene nanoribbons and nanotubes

    Nagarajan, V.; Chandiramouli, R.

    2018-03-01

    The electronic properties of antimonene nanotubes and nanoribbons hydrogenated along the zigzag and armchair borders are investigated with the help of density functional theory (DFT) method. The structural stability of antimonene nanostructures is confirmed with the formation energy. The electronic properties of hydrogenated zigzag and armchair antimonene nanostructures are studied in terms of highest occupied molecular orbital (HOMO) & lowest unoccupied molecular orbital (LUMO) gap and density of states (DOS) spectrum. Moreover, due to the influence of buckled orientation, hydrogen passivation and width of antimonene nanostructures, the HOMO-LUMO gap widens in the range of 0.15-0.41 eV. The findings of the present study confirm that the electronic properties of antimonene nanostructures can be tailored with the influence of width, orientation of the edges, passivation with hydrogen and morphology of antimonene nanostructures (nanoribbons, nanotubes), which can be used as chemical sensor and for spintronic devices.

  6. Structural and electronic properties of a single C chain doped zigzag BN nanoribbons

    Wu, Ping; Wang, Qianwen; Cao, Gengyu; Tang, Fuling; Huang, Min

    2014-01-01

    The effects of single C-chain on the stability, structural and electronic properties of zigzag BN nanoribbons (ZBNNRs) were investigated by first-principles calculations. C-chain was expected to dope at B-edge for all the ribbon widths N z considered. The band gaps of C-chain doped N z -ZBNNR are narrower than that of perfect ZBNNR due to new localized states induced by C-chain. The band gaps of N z -ZBNNR-C(n) are direct except for the case of C-chain position n=2. Band gaps of BN nanoribbons are tunable by C-chain and its position n, which may endow the potential applications of BNNR in electronics.

  7. Semiconductor-metal transition induced by giant Stark effect in blue phosphorene nanoribbons

    Xiong, Peng-Yu; Chen, Shi-Zhang; Zhou, Wu-Xing; Chen, Ke-Qiu, E-mail: keqiuchen@hnu.edu.cn

    2017-06-28

    The electronic structures and transport properties in monolayer blue phosphorene nanoribbons (BPNRs) with transverse electric field have been studied by using density functional theory and nonequilibrium Green's functions method. The results show that the band gaps of BPNRs with both armchair and zigzag edges are linearly decreased with the increasing of the strength of transverse electric field. A semiconductor-metal transition occurs when the electric field strength reaches to 5 V/nm. The Stark coefficient presents a linear dependency on BPNRs widths, and the slopes of both zBPNRs and aBPNRs are 0.41 and 0.54, respectively, which shows a giant Stark effect occurs. Our studies show that the semiconductor-metal transition originates from the giant Stark effect. - Highlights: • The electronic transport in blue phosphorene nanoribbons. • Semiconductor-metal transition can be observed. • The semiconductor-metal transition originates from the giant Stark effect.

  8. Tuning carrier mobility of phosphorene nanoribbons by edge passivation and strain

    Zhang, Xiaoou [National Laboratory of Solid State Microstructures, College of Physics, Nanjing University, Nanjing 210093 (China); Li, Qingfang, E-mail: qingfangli@nuist.edu.cn [National Laboratory of Solid State Microstructures, College of Physics, Nanjing University, Nanjing 210093 (China); Department of Physics, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Xu, Bo, E-mail: xubonju@gmail.com [National Laboratory of Solid State Microstructures and Department of Materials Science and Engineering, Nanjing University, Nanjing 210093 (China); Wan, Bo [National Laboratory of Solid State Microstructures, College of Physics, Nanjing University, Nanjing 210093 (China); Yin, Jiang [National Laboratory of Solid State Microstructures and Department of Materials Science and Engineering, Nanjing University, Nanjing 210093 (China); Wan, X.G. [National Laboratory of Solid State Microstructures, College of Physics, Nanjing University, Nanjing 210093 (China)

    2016-02-05

    Using first-principles calculations, we have studied the effects of different edge passivation groups on the carrier mobility of the phosphorene nanoribbons (PNRs) and strain effect on the transport property in passivated PNRs. The numerical results show that the size-dependent carrier mobility of passivated PNRs is not very sensitive to the different passivation groups, such as hydrogen (H), fluorine (F) and chlorine (Cl), but strongly associated with the orientation of nanoribbons. Passivated armchair-PNR has much larger carrier mobility than passivated zigzag-PNR at the similar ribbon width. With increasing ribbon width, the electron mobility of passivated PNRs can be further enhanced. We also find that the anisotropy of carrier mobility in passivated PNRs can be reversed by applying tensile strain resulting from order switching of the conduction bands around Fermi level.

  9. Manipulation of strain state in silicon nanoribbons by top-down approach

    Mu, Zhiqiang; Zhang, Miao; Xue, Zhongying; Sun, Gaodi; Guo, Qinglei; Chen, Da; Di, Zengfeng, E-mail: zfdi@mail.sim.ac.cn; Wang, Xi [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Huang, Gaoshan; Mei, Yongfeng [Department of Materials Science, Fudan University, Shanghai 200433 (China); Chu, Paul K. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

    2015-04-27

    Tensile strain is often utilized to enhance the electron mobility and luminescent characteristics of semiconductors. A top-down approach in conjunction with roll-up technology is adopted to produce high tensile strain in Si nanoribbons by patterning and releasing of the bridge-like structures. The tensile strain can be altered between uniaxial state and biaxial state by adjusting the dimensions of the patterns and can be varied controllably up to 3.2% and 0.9% for the uniaxial- and biaxial-strained Si nanoribbons, respectively. Three-dimensional finite element analysis is performed to investigate the mechanism of strain generation during patterning and releasing of the structure. Since the process mainly depends on the geometrical factors, the technique can be readily extended to other types of mechanical, electrical, and optical membranes.

  10. Tunable electronic properties of partially edge-hydrogenated armchair boron-nitrogen-carbon nanoribbons.

    Alaal, Naresh; Medhekar, Nikhil; Shukla, Alok

    2018-04-18

    We employ a first-principles calculations based density-functional-theory (DFT) approach to study the electronic properties of partially and fully edge-hydrogenated armchair boron-nitrogen-carbon (BNC) nanoribbons (ABNCNRs), with widths between 0.85 nm to 2.3 nm. Due to the partial passivation of edges, the electrons, which do not participate in the bonding, form new energy states located near the Fermi-level. Because of these additional bands, some ABNCNRs exhibit metallic behavior, which is quite uncommon in armchair nanoribbons. Our calculations reveal that metallic behavior is observed for the following passivation patterns: (i) when the B atom from one edge and the N atom from another edge are unpassivated. (ii) when the N atoms from both the edges are unpassivated. (iii) when the C atom from one edge and the N atom from another edge are unpassivated. Furthermore, spin-polarization is also observed for certain passivation schemes, which is also quite uncommon for armchair nanoribbons. Thus, our results suggest that the ABNCNRs exhibit a wide range of electronic and magnetic properties in that the fully edge-hydrogenated ABNCNRs are direct band gap semiconductors, while the partially edge-hydrogenated ones are either semiconducting, or metallic, while simultaneously exhibiting spin polarization, based on the nature of passivation. We also find that the ribbons with larger widths are more stable as compared to the narrower ones.

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

    Hong, Seung Sae; Kundhikanjana, Worasom; Cha, Judy J.; Lai, Keji; Kong, Desheng; Meister, Stefan; Kelly, Michael A.; Shen, Zhi-Xun; Cui, Yi

    2010-01-01

    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.

  12. Controlled Synthesis of Sb 2 O 3 Nanoparticles, Nanowires, and Nanoribbons

    2006-01-01

    Full Text Available Sb 2 O 3 nanoparticles, nanowires, and nanoribbons have been selectively synthesized in a controlled manner under mild conditions by using CTAB as a soft template. By adopting Sb ( OH 4 − as an inorganic precursor and the concentration of CTAB as an adjusting parameter, morphologies of Sb 2 O 3 nanostructures can be selectively controlled. Typically, C CTAB <0.15 mmol favors the formation of nanoparticles (product one or short form P1; when the concentration of CATB is in the range 0.15–2.0 mmol, nanowires (P2 dominate the products; nanoribbons (P3 form above the concentration of 2.0 mmol, and when the concentration of CTAB goes further higher, treelike bundles of nanoribbons could be achieved. The method in the present study has potential advantages of easy handling, relatively low-cost, and large-scale production. The facile and large-scale synthesis of varied Sb 2 O 3 nanostructures is believed to be useful for the application of catalysis and flame retardance.

  13. Magnetoelectric control of valley and spin in a silicene nanoribbon modulated by the magnetic superlattices

    An, Xing-Tao, E-mail: anxt@hku.hk

    2015-03-20

    The control of valley and spin degrees of freedom and the transport properties of electrons in a zigzag silicene nanoribbon modulated by the magnetic superlattices are investigated theoretically. Due to the valley–spin locking effect in silicene, the valley degree of freedom can be controlled by magnetic means. The valley or/and spin selection induced by the exchange field result in the perfect spin–valley filter and tunneling magnetoresistance effect in the double ferromagnetic barriers on the surface of the silicene nanoribbon. It is more interesting that there are valley-resolved minigaps and minibands in the zigzag silicene nanoribbon modulated by the magnetic superlattices which give rise to the periodically modulated spin (or/and valley) polarization and tunneling magnetoresistance. The results obtained may have certain practical significance in applications for future valleytronic and spintronic devices. - Highlights: • The valley can be controlled by a magnetic field in silicene. • The valley-resolved miniband transport is studied in the silicene superlattices. • There are the perfect spin–valley filter and tunneling magnetoresistance effect.

  14. Biomolecule detection using a silicon nanoribbon: accumulation mode versus inversion mode

    Elfstroem, Niklas; Linnros, Jan

    2008-01-01

    Silicon nanoribbons were fabricated using standard optical lithography from silicon on insulator material with top silicon layer thicknesses of 100, 60 and 45 nm. Electrically these work as Schottky-barrier field-effect transistors and, depending on the substrate voltage, electron or hole injection is possible. The current through the nanoribbon is extremely sensitive to charge changes at the oxidized top surface and can be used for biomolecule detection in a liquid. We show that for detection of streptavidin molecules the response is larger in the accumulation mode than in the inversion mode, although not leading to higher detection sensitivity due to increased noise. The effect is attributed to the location in depth of the conducting channel, which for holes is closer to the screened surface charges of the biomolecules. Furthermore, the response increases for decreasing silicon thickness in both the accumulation mode and the inversion mode. The results are verified qualitatively and quantitatively through a two-dimensional simulation model on a cross section along the nanoribbon device

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

    Wu, Xiaohua; Zhang, Xiaoli; Wang, Xianlong [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Zeng, Zhi, E-mail: zzeng@theory.issp.ac.cn [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); University of Science and Technology of China, Hefei 230026 (China)

    2016-04-15

    The pursuit of controlled magnetism in semiconductors has been a persisting goal in condensed matter physics. Recently, Vene (phosphorene, arsenene and antimonene) has been predicted as a new class of 2D-semiconductor with suitable band gap and high carrier mobility. In this work, we investigate the edge magnetism in zigzag puckered Vene nanoribbons (ZVNRs) based on the density functional theory. The band structures of ZVNRs show half-filled bands crossing the Fermi level at the midpoint of reciprocal lattice vectors, indicating a strong Peierls instability. To remove this instability, we consider two different mechanisms, namely, spin density wave (SDW) caused by electron-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.

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

    Xiaohua Wu

    2016-04-01

    Full Text Available 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.

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

    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.

  18. Graphene Synthesis & Graphene/Polymer Nanocomposites

    Liao, Ken-Hsuan

    We successfully developed a novel, fast, hydrazine-free, high-yield method for producing single-layered graphene. Graphene sheets were formed from graphite oxide by reduction with de-ionized water at 130 ºC. Over 65% of the sheets are single graphene layers. A dehydration reaction of exfoliated graphene oxide was utilized to reduce oxygen and transform C-C bonds from sp3 to sp2. The reduction appears to occur in large uniform interconnected oxygen-free patches so that despite the presence of residual oxygen the sp2 carbon bonds formed on the sheets are sufficient to provide electronic properties comparable to reduced graphene sheets obtained using other methods. Cytotoxicity of aqueous graphene was investigated with Dr. Yu-Shen Lin by measuring mitochondrial activity in adherent human skin fibroblasts using two assays. The methyl-thiazolyl-diphenyl-tetrazolium bromide (MTT) assay, a typical nanotoxicity assay, fails to predict the toxicity of graphene oxide and graphene toxicity because of the spontaneous reduction of MTT by graphene and graphene oxide, resulting in a false positive signal. An appropriate alternate assessment, using the water soluble tetrazolium salt (WST-8) assay, reveals that the compacted graphene sheets are more damaging to mammalian fibroblasts than the less densely packed graphene oxide. Clearly, the toxicity of graphene and graphene oxide depends on the exposure environment (i.e. whether or not aggregation occurs) and mode of interaction with cells (i.e. suspension versus adherent cell types). Ultralow percolation concentration of 0.15 wt% graphene, as determined by surface resistance and modulus, was observed from in situ polymerized thermally reduced graphene (TRG)/ poly-urethane-acrylate (PUA) nanocomposite. A homogeneous dispersion of TRG in PUA was revealed by TEM images. The aspect ratio of dispersed TRG, calculated from percolation concentration and modulus, was found to be equivalent to the reported aspect ratio of single

  19. Understanding the impact of graphene sheet tailoring on the ...

    Tailoring the channel decreases mobility and transmission probability to a great ... AGNR was used throughout the text so N denotes the number of dimer lines. Figure 2. .... ber of dimer lines and z is a positive integer) and through local density ...

  20. Superlubric sliding of graphene nanoflakes on graphene.

    Feng, Xiaofeng; Kwon, Sangku; Park, Jeong Young; Salmeron, Miquel

    2013-02-26

    The lubricating properties of graphite and graphene have been intensely studied by sliding a frictional force microscope tip against them to understand the origin of the observed low friction. In contrast, the relative motion of free graphene layers remains poorly understood. Here we report a study of the sliding behavior of graphene nanoflakes (GNFs) on a graphene surface. Using scanning tunneling microscopy, we found that the GNFs show facile translational and rotational motions between commensurate initial and final states at temperatures as low as 5 K. The motion is initiated by a tip-induced transition of the flakes from a commensurate to an incommensurate registry with the underlying graphene layer (the superlubric state), followed by rapid sliding until another commensurate position is reached. Counterintuitively, the average sliding distance of the flakes is larger at 5 K than at 77 K, indicating that thermal fluctuations are likely to trigger their transitions from superlubric back to commensurate ground states.