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Works cited by this work

75 works

Work: Driving catalytic carbyne formation within endohedral DWCNTs: the role of Ni <i>vs.</i> Pt

  1. Molecular dynamics with coupling to an external bath

    Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren +2

    Article198434 citations
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  2. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

    Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger +12

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  3. Canonical sampling through velocity rescaling

    Giovanni Bussi, Davide Donadio, Michele Parrinello

    Article200723 citations
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  4. Chemically Doped Double-Walled Carbon Nanotubes: Cylindrical Molecular Capacitors

    Gugang Chen, Shunji Bandow, Elena R. Margine +7

    Article20039 citations
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  5. Mechanisms of selective nanocarbon synthesis inside carbon nanotubes

    Umedjon Khalilov, Erik C. Neyts

    Article20209 citations
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  6. Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field

    Chenyu Zou, Yun Kyung Shin, Adri C. T. van Duin +2

    Article20149 citations
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  7. Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors

    Umedjon Khalilov, Annemie Bogaerts, Erik C. Neyts

    Article20148 citations
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  8. Catalyzed growth of encapsulated carbyne

    Umedjon Khalilov, Charlotte Vets, Erik C. Neyts

    Article20197 citations
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  9. van der Waals Volumes and Radii

    A. Bondì

    Article19646 citations
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  10. Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs

    Umedjon Khalilov, Charlotte Vets, Erik C. Neyts

    Article20196 citations
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  11. Electronic Structure and Stability of Semiconducting Graphene Nanoribbons

    Verónica Barone, Oded Hod, Gustavo E. Scuseria

    Article20065 citations
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  12. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

    Graeme Henkelman, Hannes Jónsson

    Article20005 citations
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  13. Linear carbon chains encapsulated in multiwall carbon nanotubes: Resonance Raman spectroscopy and transmission electron microscopy studies

    N. F. Andrade, Thiago L. Vasconcelos, Cristol P. Gouvêa +7

    Article20155 citations
    ABI

  14. Direct observation of Pt-terminating carbyne on graphene

    Emi Kano, Masaki Takeguchi, Jun‐ichi Fujita +1

    Article20145 citations
    ABI

  15. Carbyne from First Principles: Chain of C Atoms, a Nanorod or a Nanorope

    Mingjie Liu, Vasilii I. Artyukhov, Hoonkyung Lee +2

    Article20135 citations
    ABI

  16. Ballistic Thermal Transport in Carbyne and Cumulene with Micron-Scale Spectral Acoustic Phonon Mean Free Path

    Mingchao Wang, Shangchao Lin

    Article20155 citations
    ABI

  17. Growth of Linear Carbon Chains inside Thin Double-Wall Carbon Nanotubes

    Changhui Zhao, Ryo Kitaura, H. Hara +2

    Article20115 citations
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  18. Bottom-Up Synthesis of Metalated Carbyne

    Qiang Sun, Liangliang Cai, Shiyong Wang +8

    Article20165 citations
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  19. Effects of pressure on the structural and electronic properties of linear carbon chains encapsulated in double wall carbon nanotubes

    Wellington Q. Neves, Rafael S. Alencar, Ramon S. Ferreira +9

    Article20185 citations
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  20. Atomic and electronic structures of stable linear carbon chains on Ag-nanoparticles

    Danil W. Boukhvalov, Ivan S. Zhidkov, E.Z. Kurmaev +3

    Article20175 citations
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  21. Can endohedral transition metals enhance hydrogen storage in carbon nanotubes?

    Umedjon Khalilov, Utkir Uljayev, Kamoliddin Mehmonov +3

    ArticleHydrogen Storage and MaterialsInternational Journal of Hydrogen Energy20234 citations
    ABI

  22. Specific surface area of carbon nanotubes and bundles of carbon nanotubes

    A. Peigney, Christophe Laurent, Emmanuel Flahaut +2

    Article20014 citations
    ABI

  23. Carbon Nanowire Made of a Long Linear Carbon Chain Inserted Inside a Multiwalled Carbon Nanotube

    Xinluo Zhao, Yoshinori Ando, Yi Liu +2

    Article20034 citations
    ABI

  24. Mechanically Induced Metal–Insulator Transition in Carbyne

    Vasilii I. Artyukhov, Mingjie Liu, Boris I. Yakobson

    Article20144 citations
    ABI

  25. Direct observation of the formation of linear C chain/carbon nanotube hybrid systems

    Viviana Scuderi, Silvia Scalese, S. Bagiante +3

    Article20094 citations
    ABI