Search Results - "Ewels, C P"

Stacking- and chirality-dependent collapse of single-walled carbon nanotubes: A large-scale density-functional study by Impellizzeri, A., Briddon, P., Ewels, C.

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Carbon nanotube growth mechanism switches from tip- to base-growth with decreasing catalyst particle size by Gohier, A., Ewels, C.P., Minea, T.M., Djouadi, M.A.

“…The growth of carbon nanotubes by a plasma assisted catalytic chemical vapor deposition was investigated using cobalt, nickel and iron catalyst particles of…”
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“Missing” One-Dimensional Red-Phosphorus Chains Encapsulated within Single-Walled Carbon Nanotubes by Rybkovskiy, D. V, Koroteev, V. O, Impellizzeri, A, Vorfolomeeva, A. A, Gerasimov, E. Yu, Okotrub, A. V, Chuvilin, A, Bulusheva, L. G, Ewels, C. P

“…We identify the “missing” 1D-phosphorus allotrope, red phosphorus chains, formed in the interior of tip-opened single-walled carbon nanotubes (SWCNTs). Via a…”
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Nitrogen doping in carbon nanotubes by Ewels, C P, Glerup, M

“…Nitrogen doping of single and multi-walled carbon nanotubes is of great interest both fundamentally, to explore the effect of dopants on quasi-1D electrical…”
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Defective Structure of BN Nanotubes:  From Single Vacancies to Dislocation Lines by Zobelli, A, Ewels, C. P, Gloter, A, Seifert, G, Stephan, O, Csillag, S, Colliex, C

“…A combination of electron microscopy and theoretical calculations provides new insights into the structure, electronics, and energetics of point defects and…”
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Atomic Oxygen Functionalization of Vertically Aligned Carbon Nanotubes by Bittencourt, C, Navio, C, Nicolay, A, Ruelle, B, Godfroid, T, Snyders, R, Colomer, J.-F, Lagos, M. J, Ke, X, Van Tendeloo, G, Suarez-Martinez, I, Ewels, C. P

“…Vertically aligned multiwalled carbon nanotubes (v-MWCNTs) are functionalized using atomic oxygen generated in a microwave plasma. X-ray photoelectron…”
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Probing the interaction between gold nanoparticles and oxygen functionalized carbon nanotubes by Suarez-Martinez, I., Bittencourt, C., Ke, X., Felten, A., Pireaux, J.J., Ghijsen, J., Drube, W., Van Tendeloo, G., Ewels, C.P.

“…The interaction between evaporated gold and pristine or oxygen plasma treated multi-walled carbon nanotubes (MWCNTs) is investigated. Experimental and…”
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Adatoms and nanoengineering of carbon by Ewels, C.P, Heggie, M.I, Briddon, P.R

“…We present a new and general mechanism for inter-conversion of carbon structures via a catalytic exchange process, which operates under conditions of Frenkel…”
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Vacancy migration in hexagonal boron nitride by Zobelli, A., Ewels, C. P., Gloter, A., Seifert, G.

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Bromination of Double-Walled Carbon Nanotubes by Bulusheva, L. G, Okotrub, A. V, Flahaut, E, Asanov, I. P, Gevko, P. N, Koroteev, V. O, Fedoseeva, Yu. V, Yaya, A, Ewels, C. P

“…Double-walled carbon nanotubes (DWCNTs) synthesized by catalytic chemical vapor deposition (CCVD) have been functionalized by bromine vapor at room…”
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Muonium in boron by Cox, S.F.J., Lord, J.S., Hillier, A.D., Cottrell, S.P., Wagner, Ph, Ewels, C.P.

“…A paramagnetic muonium centre is detected in elemental boron at cryogenic temperatures and characterized by hyperfine decoupling in longitudinal magnetic…”
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Polyiodide structures in thin single-walled carbon nanotubes: A large-scale density-functional study by Rybkovskiy, D.V., Impellizzeri, A., Obraztsova, E.D., Ewels, C.P.

“…Using automatic structure generation algorithms and large-scale density functional computations we study polyiodide structures encapsulated within a 1 nm…”
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Mapping the stacking interaction of triphenyl vinylene oligomers with graphene and carbon nanotubes by Yaya, A., Impellizzeri, A., Massuyeau, F., Duvail, J.L., Briddon, P., Ewels, C.P.

“…Using density functional calculations, we explore π-π and π-H stacking interactions in conjugated polymer – carbon nanomaterial composites, through a detailed…”
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Stability of Fluorinated Double-Walled Carbon Nanotubes Produced by Different Fluorination Techniques by Bulusheva, L. G, Fedoseeva, Yu. V, Okotrub, A. V, Flahaut, E, Asanov, I. P, Koroteev, V. O, Yaya, A, Ewels, C. P, Chuvilin, A. L, Felten, A, Van Lier, G, Vyalikh, D. V

“…Double-walled carbon nanotubes (DWCNTs) have been fluorinated using (1) gaseous F2 at 200 °C, (2) a mixture of BrF3 and Br2 at room temperature, and (3) radio…”
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Optical Properties of CdS Quantum Dots on Graphene by Sedelnikova, O. V., Ewels, C. P., Bulusheva, L. G., Okotrub, A. V.

“…Hybrid systems based on graphene and semiconductor quantum dots are prospective materials for optoelectronics and photonics. In this work, electronic structure…”
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Effect of functionalization and charging on resonance energy and radial breathing modes of metallic carbon nanotubes by Öberg, S., Adjizian, J., Erbahar, D., Rio, J., Humbert, B., Dossot, M., Soldatov, A., Lefrant, S., Mevellec, J.-Y., Briddon, P., Rayson, M. J., Ewels, C. P.

“…While changes in resonant Raman scattering measurements are commonly used to measure the effect of chemical functionalization on single-walled carbon…”
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Shallow Thermal Donor Defects in Silicon by Ewels, CP, Jones, R, Öberg, S, Miro, J, Deák, P

“…An ab initio local density functional cluster program, aimpro, is used to examine nitrogen related shallow thermal donor defects in silicon. We find the…”
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Bistable N2―H complexes: The first proposed structure of a H-related colour-causing defect in diamond by GOSS, J. P, EWELS, C. P, BRIDDON, P. R, FRITSCH, E

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Electron knock-on cross section of carbon and boron nitride nanotubes by Zobelli, A., Gloter, A., Ewels, C. P., Seifert, G., Colliex, C.

“…We present a theoretical description of electron irradiation of single-walled carbon and boron nitride nanotubes. In a first step, the anisotropy of the atomic…”
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Theory of hydrogen in diamond by Goss, J. P., Jones, R., Heggie, M. I., Ewels, C. P., Briddon, P. R., Öberg, Sven

“…Ab initio cluster and supercell methods are used to investigate the local geometry and optical properties of hydrogen defects in diamond. For an isolated…”
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