Bulletin of the American Physical Society
APS March Meeting 2017
Volume 62, Number 4
Monday–Friday, March 13–17, 2017; New Orleans, Louisiana
Session B31: Carbon Nanotubes and Related Materials: Physical and Chemical Propertes IFocus
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Sponsoring Units: DMP Room: 294 |
Monday, March 13, 2017 11:15AM - 11:51AM |
B31.00001: Differentiating Left- and Right-handed Carbon Nanotubes by DNA Invited Speaker: Ming Zheng New structural characteristics emerge when solid-state crystals are constructed in lower dimensions. This is exemplified by single-wall carbon nanotubes, which exhibit a degree of freedom in handedness, and a multitude of helicity that gives rise to three distinct types of electronic structures - metals, quasi-metals, and semiconductors. Here, we report the use of intrinsically chiral single-stranded DNA to achieve simultaneous handedness and helicity control for all three types of nanotubes. We apply polymer aqueous two-phase systems to select special DNA-wrapped carbon nanotubes, each of which we argue must have an ordered DNA structure bound to a nanotube of defined handedness and helicity, resembling a well-folded biomacromolecule with innate stereo-selectivity. We have screened over 300 short single-stranded DNA sequences with palindrome symmetry, leading to the selection of more than 20 distinct carbon nanotube structures that have defined helicity and handedness and cover the entire chiral angle range and all three electronic types. The mechanism of handedness selection is illustrated by a DNA sequence that adopts two distinct folds on a pair of (6,5) nanotube enantiomers, respectively, rendering them large differences in fluorescence intensity and chemical reactivity. This result establishes a first example of functionally distinguishable left- and right-handed carbon nanotubes. Taken together, our work demonstrates highly efficient enantiomer differentiation by DNA, and offers a first comprehensive solution to achieve simultaneous handedness and helicity control for all three electronic types of carbon nanotubes. . [Preview Abstract] |
Monday, March 13, 2017 11:51AM - 12:03PM |
B31.00002: Computational Investigation of Graphene-Carbon Nanotube-Polymer Composite Sanjiv Jha, Michael Roth, Guido Todde, Gopinath Subramanian, Manoj Shukla Graphene is a single atom thick two dimensional carbon sheet where $sp^2$-hybridized carbon atoms are arranged in a honeycomb structure. The functionalization of graphene and carbon nanotubes (CNTs) with polymer is a route for developing high performance nanocomposite materials. We study the interfacial interactions among graphene, CNT, and Nylon 6 polymer using computational methods based on density functional theory (DFT) and empirical force-field. Our DFT calculations are carried out using Quantum-ESPRESSO electronic structure code with van der Waals functional (vdW-DF2), whereas the empirical calculations are performed using LAMMPS with the COMPASS force-field. Our results demonstrated that the interactions between (8,8) CNT and graphene, and between CNT/graphene and Nylon 6 consist mostly of van der Waals type. The computed Young's moduli indicated that the mechanical properties of carbon nanostructures are enhanced by their interactions with polymer. The presence of Stone-Wales (SW) defects lowered the Young's moduli of carbon nanostructures. [Preview Abstract] |
Monday, March 13, 2017 12:03PM - 12:15PM |
B31.00003: Structure and Dynamics of Water Confined in Graphitic Nanostructures Yuzi He, Rajiv Kalia, Aiichiro Nakano, Priya Vashishta We study the structure and dynamics of water confined in nanocarbon ribbons and graphitic nanostructures using reactive molecular dynamics (RMD) simulations based on reactive force fields. The nanocarbon ribbons and graphitic nanostructures are generated in an RMD simulation of oxidation of a silicon carbide nanoparticle. We find that Si oxidizes rapidly and nanocarbon ribbons and graphitic nanostructures are a byproduct of Si oxidation. We embed water molecules in graphitic nanopores and study structural and dynamical properties of nanoconfined water as a function of temperature and pressure. RMD simulation results indicate the presence of high density water (HDW) and low density water (LDW). Results for the effect of high pressure and supercooling on the dynamics of water will be reported. [Preview Abstract] |
Monday, March 13, 2017 12:15PM - 12:27PM |
B31.00004: Ethane Adsorption on Open Carbon Nanohorns Chris Mandrell, Brice Russell, Aldo Migone We have measured adsorption isotherms at five different temperatures in the range between 120 K and 160 K, for ethane adsorbed on a 0.1692 g sample of chemically-opened carbon nanohorns. Two clear substeps are visible in the adsorption data which correspond to two groups of sites: stronger binding sites (lower pressure substep) and weaker binding sites (higher pressure substep). The space at the interior of the individual nanohorns is accessible to sorbates in these chemically opened nanohorns. Consequently, higher loadings are obtained on these samples when compared to those measured on unopened (as-produced) nanohorns. Results for the kinetics of adsorption, the effective specific surface area, and the isosteric heat of adsorption as a function of sorbent loading will be presented and compared to results from other gases adsorbed on nanohorns. [Preview Abstract] |
Monday, March 13, 2017 12:27PM - 12:39PM |
B31.00005: Energy barrier for carbon nanotube collapse Rafael Del Grande, Rodrigo Capaz Small-diameter carbon nanotubes have circular cross section shapes, but the ground state of large-diameter tubes correspond to collapsed structures, stabilized by the van der Waals attraction of opposite sides of the nanotube wall. For those tubes, the circular cross section shape is metastable and it is interesting to investigate the energy barrier for jumping from one configuration to another. This barrier is shaped by the energetic compensation between van der Waals interactions and the elastic energy related to nanotube deformation. Previous theoretical works calculate the energy barrier by considering a transition pathway in which the nanotube collapses uniformly along its length, normally using periodic boundary conditions along the nanotube axis. In reality, this assumption is unphysical since it would lead to an infinite barrier for a nanotube of infinite length. In this work, we calculate the true energy barrier for carbon nanotube collapse by considering a transition pathway that consists of an initial local deformation that subsequently propagates itself along the carbon nanotube axis. This leads to finite and physically meaningful energy barriers in the limit of infinite nanotubes. Surprisingly, we find large energy barriers for the collapse of large-diameter carbon n [Preview Abstract] |
Monday, March 13, 2017 12:39PM - 12:51PM |
B31.00006: Detecting the Biopolymer Behavior of Graphene Nanoribbons in Aqueous Solution Jingqiang Li, Sithara Wijeratne, Evgeni Penev, Wei Lu, Amanda Duque, Boris Yakobson, James Tour, Ching-Hwa Kiang Graphene nanoribbons (GNR), can be prepared in bulk quantities for large-area applications by reducing the product from the lengthwise oxidative unzipping of multiwalled carbon nanotubes (MWNT). Recently, the biomaterials application of GNR has been explored, for example, in the pore to be used for DNA sequencing. Therefore, understanding the polymer behavior of GNR in solution is essential in predicting GNR interaction with biomaterials. Here, we report experimental studies of the solutionbased mechanical properties of GNR and their parent products, graphene oxide nanoribbons (GONR). We used atomic force microscopy (AFM) to study their mechanical properties in solution and showed that GNR and GONR have similar force-extension behavior as in biopolymers such as proteins and DNA. The rigidity increases with reducing chemical functionalities. The similarities in rigidity and tunability between nanoribbons and biomolecules might enable the design and fabrication of GNR-biomimetic interfaces. [Preview Abstract] |
Monday, March 13, 2017 12:51PM - 1:03PM |
B31.00007: Homogeneous Nanodiamonds Are Different in Reality Chi-Chin Wu, Jennifer Gottfried, Rose Pesce-Rodriguez Commercial detonation nanodiamonds (ND) have been investigated for many applications. They consist of carbon nanoparticles with diamond cores surrounded by onion-like graphitic shells. Unfortunately, variations in the purity and carbon structure between commercial ND samples due to variations in synthesis and purification conditions is an ongoing issue, since these differences can affect the resulting application-dependent ND behavior. Via characterization with transmission electron microscopy, this work investigates the structural and chemical differences among nominally homologous commercial detonation ND sold by a single vendor under the same item number. Significant discrepancies in the carbon structure and crystallinity between different batches with similar sizes and shapes were identified. The ND containing more non-carbon entities as impurities and oxygen-containing surface functional groups were found to possess thicker graphitic shells surrounding an unstable diamond core which quickly transforms to graphite under electron beam irradiation. However, the structure of ND with higher purities and thin onion shells remain unchanged over extended exposure to electron beams. This study demonstrates the structural and chemical differences between nominally identical commercial detonation ND samples and reveals their influence on the decomposition behavior of the particles. [Preview Abstract] |
Monday, March 13, 2017 1:03PM - 1:15PM |
B31.00008: Measurement of resistance induced by a single potassium atom on chiral-angle known nanotubes: understanding the impact of a model scatterer for nanoscale sensors Masa Ishigami, Ryuichi Tsuchikawa, Daniel Heligman, Brandon Blue, Zhenghi Zhang, Amin Ahmadi, Eduardo Mucciolo, James Hone Rational design for nanotube-based sensors requires precise understanding of how impurities impact transport properties of nanotubes. Such impurity-induced carrier scattering is expected to be dependent on the chirality of nanotubes and the nature of scattering potentials imposed by impurities. Yet until our recent measurements, it has been impossible to measure the impact of impurities on resistance of carbon nanotubes with known chirality. We have developed arrays of experimental techniques to control experiments down to atomic scale to measure the scattering strength of charged impurities on semiconducting single-walled carbon nanotubes with known chirality. The resistivity of nanotubes is measured as a function of the density of adsorbed potassium atoms, enabling the determination of the resistance added by an individual potassium atom. Holes are scattered 37 times more efficiently than electrons by an adsorbed potassium atom. The determined scattering strength is used to reveal the spatial extent and depth of the scattering potential for potassium, a model Coulomb adsorbate, paving way for rational design of nanotube-based sensors. This work was supported by the National Science Foundation under the Grants No. 1006230 and 1006533. [Preview Abstract] |
Monday, March 13, 2017 1:15PM - 1:27PM |
B31.00009: Giant Paramagnetism of Copper Nanoparticles in Nanocomposites Cu@C Eduard Sharoyan, Armen Mirzakhanyan, Harutyun Gyulasaryan, Aram Manukyan, Medhanie Estiphanos, Michael Goff, Oscar Bernal, Armen Kocharian The copper nanoparticles in nanocomposites Cu@C, encapsulated in graphitized carbon shell was obtained by the solid-phase pyrolysis method of polycrystalline phthalocyanine (CuPc, Pc$=$C$_{\mathrm{32}}$N$_{\mathrm{8}}$H$_{\mathrm{16}})$. The average sizes of the nanoparticles are in the range of 2-6 nm. Magnetic measurements were carried out by vibrational magnetometer in the temperature range 10-300~K. At low temperatures (\textless 70K) we observed a giant paramagnetism,~apparently due~to the (ballistic) conduction electron (large orbital magnetism). The values of the specific susceptibility at~$T$~$=$ 10K with magnetic specific~susceptibility of 5\textbullet 10$^{\mathrm{-5}}$~emu/g\textbullet Oe order. This work was supported by the RA MES State Committee of Science, in the frames of the research project SCS-13-1C090. The work at California State University was supported by the National Science Foundation-Partnerships for Research and Education in Materials under Grant DMR-1523588. [Preview Abstract] |
Monday, March 13, 2017 1:27PM - 1:39PM |
B31.00010: Microgram scale solution processing of single walled carbon nanotubes towards chirally enriched films and fibers Robert Headrick, Matteo Pasquali Self-assembled carbon nanotube (CNT) materials can couple soft flexibility with impressive tensile strength and electrical conductivity, however, they have yet to meet expectations for macroscopic electrical and mechanical properties. ~To efficiently investigate this disparity, we have developed a method for solution processing microgram quantities of CNTs dissolved in chlorosulfonic acid into high performance aligned films and fibers. We directly compare the properties of fibers prepared by this method and solution spinning with identical batches of CNTs to characterize the impact of alignment, twist, packing density, and aspect ratio. Surprisingly, these fibers can be more than twice as strong as their solution spun counterpart despite a lower amount of alignment. Furthermore, we demonstrate a rapid solution processing method for characterizing potential CNT material properties at a scale two orders of magnitude lower than previously required. Such small material requirement enables the production of films and fibers composed of chirally enriched single walled CNTs. We utilize the aqueous two phase extraction method to isolate samples concentrated in semiconducting and armchair chiralities and characterize their assembled macroscopic properties. [Preview Abstract] |
Monday, March 13, 2017 1:39PM - 1:51PM |
B31.00011: Characterizing Equilibration Times in Suspended Atomic Chains Christopher Watenpool, Donald Priour Carbyne, chains of carbon atoms with alternating single and triple bonds, represents a covalently bonded one dimensional atomic chain, and has been of recent technological interest. Some realizations involve a carbyne chain suspended (e.g., between two graphene flakes). While locally stiff, such a geometry would nevertheless be subject to thermally induced transverse perturbations; we also account for anharmonic effects in the interactions among neighboring carbon atoms. This circumstance, with a weakly anharmonic linear chain experiencing fluctuations in a 3D environment, is fundamentally distinct from the case of a similar chain with motion solely in the longitudinal direction. This contrast presents an opportunity to examine whether equilibration is facilitated by transverse motions or slowed by the presence of long time oscillations as seen in the case of anharmonic chains with only 1D motion allowed. With molecular dynamics simulations, we consider on the one hand an isolated chain with transverse motions allowed and determine if the 3D environment hastens equilibration; we also couple the chains to a heat bath (which would obviate long time oscillations), and we calculate exponents for the asymptotic scaling of equilibration times with respect to the size of the system. [Preview Abstract] |
Monday, March 13, 2017 1:51PM - 2:03PM |
B31.00012: Interlayer Mechanics of Commensurate Boron Nitride Nanotubes Homin Shin, Keun Su Kim, Benoit Simard, Dennis Klug While two-dimensional van der Waals (vdW) layered materials (e.g., graphite or hexagonal boron nitride) have long been recognized as low-friction solid lubricants, a recent experiment reported that multi-walled boron nitride nanotubes (BNNTs) exhibited ultrahigh interlayer friction in contrast to the superlubric sliding behavior of multi-walled carbon nanotubes (CNTs). Given the similarity in their crystallographic structures, these observations raise fundamental questions regarding the origins of friction and energy dissipation in highly confined geometries. Using vdW modified density functional theory (DFT) we investigate the mechanism of the strong mechanical coupling between two concentric layers of commensurate BNNTs. Our findings provide new insights into atomic-scale interlayer friction that will be important for the development of nanodevices or nanocomposites based on BNNTs and CNTs. [Preview Abstract] |
Monday, March 13, 2017 2:03PM - 2:15PM |
B31.00013: Electronic compressibility of individual suspended carbon nanotubes Neda Lotfizadeh, Daniel R. McCulley, Ethan Minot, Vikram V. Deshpande Carbon nanotubes (CNTs) are extraordinary one-dimensional systems, which have attracted great attention due to their chemical stability, mechanical strength and transport properties. Suspended CNTs are a good candidate to study the intrinsic properties of these tubes, since they are isolated and don't have any interactions with other tubes or the substrate. Moreover, they provide a clean system to study the effect of many body interactions in one-dimension. Due to the strong electron-electron interactions in CNTs, their electronic properties are described by Luttinger liquid theory. One of the observables of this theory is electronic compressibility, which is strongly modified due to many body interactions. In this work we study the compressibility of CNTs with different band gaps as a function of electron density using low temperature quantum transport measurements. Furthermore, these CNTs are optically characterized to determine their structure for comparison with theory. Based on the nanotubes we have measured so far, we have found a scaling similar to that predicted by a theory that accounts for both interactions and the band gap of CNTs. We will report on our latest experimental results and interpretation. [Preview Abstract] |
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