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

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

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Simulated Raman spectra of bulk and low-dimensional phosphorus allotropes von Impellizzeri, A, Vorfolomeeva, A. A, Surovtsev, N. V, Okotrub, A. V, Ewels, C. P, Rybkovskiy, D. V

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“Missing” One-Dimensional Red-Phosphorus Chains Encapsulated within Single-Walled Carbon Nanotubes von 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

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Defective Structure of BN Nanotubes:  From Single Vacancies to Dislocation Lines von Zobelli, A, Ewels, C. P, Gloter, A, Seifert, G, Stephan, O, Csillag, S, Colliex, C

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Interlayer vacancy defects in AA-stacked bilayer graphene: density functional theory predictions von Vuong, A, Trevethan, T, Latham, C D, Ewels, C P, Erbahar, D, Briddon, P R, Rayson, M J, Heggie, M I

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Probing the interaction between gold nanoparticles and oxygen functionalized carbon nanotubes von Suarez-Martinez, I., Bittencourt, C., Ke, X., Felten, A., Pireaux, J.J., Ghijsen, J., Drube, W., Van Tendeloo, G., Ewels, C.P.

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Atomic Oxygen Functionalization of Vertically Aligned Carbon Nanotubes von 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

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Nitrogen segregation in nanocarbons von Ewels, C. P, Erbahar, D, Wagner, Ph, Rocquefelte, X, Arenal, R, Pochet, P, Rayson, M, Scardamaglia, M, Bittencourt, C, Briddon, P

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CO adsorption on pure, defective and mixed composition AlF3 and MgF2 surfaces von Impellizzeri, A, Dieu, J, Rousseau, J, Brunet, S, Ewels, C P

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Adatoms and nanoengineering of carbon von Ewels, C.P, Heggie, M.I, Briddon, P.R

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The di-interstitial in graphite von Latham, C D, Heggie, M I, Gámez, J A, Suárez-Martínez, I, Ewels, C P, Briddon, P R

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Vacancy migration in hexagonal boron nitride von Zobelli, A., Ewels, C. P., Gloter, A., Seifert, G.

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Bromination of Double-Walled Carbon Nanotubes von 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

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Polyiodide structures in thin single-walled carbon nanotubes: A large-scale density-functional study von Rybkovskiy, D.V., Impellizzeri, A., Obraztsova, E.D., Ewels, C.P.

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Cyclotetrahalo-p-phenylenes: simulations of halogen substituted cycloparaphenylenes and their interaction with C60 von Rio, J, Erbahar, D, Rayson, M, Briddon, P, Ewels, C P

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Mapping the stacking interaction of triphenyl vinylene oligomers with graphene and carbon nanotubes von Yaya, A., Impellizzeri, A., Massuyeau, F., Duvail, J.L., Briddon, P., Ewels, C.P.

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First-principles calculations on the structure of hydrogen aggregates in silicon and diamond von Martsinovich, N, Heggie, M I, Ewels, C P

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Muonium in boron von Cox, S.F.J., Lord, J.S., Hillier, A.D., Cottrell, S.P., Wagner, Ph, Ewels, C.P.

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Stability of Fluorinated Double-Walled Carbon Nanotubes Produced by Different Fluorination Techniques von 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

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