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34 ta ish

Ish: Nitrogen Adsorption on Double-Walled Carbon Nanotube at Different Temperatures: Mechanistic Insights from Molecular Dynamics Simulations

  1. Molecular dynamics with coupling to an external bath

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

    Maqola198434 iqtibos
    ABI

  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

    Maqola202132 iqtibos
    ABI

  3. Canonical sampling through velocity rescaling

    Giovanni Bussi, Davide Donadio, Michele Parrinello

    Maqola200723 iqtibos
    ABI

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

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

    Maqola20039 iqtibos
    ABI

  5. How the alignment of adsorbed ortho H pairs determines the onset of selective carbon nanotube etching

    Umedjon Khalilov, Annemie Bogaerts, Bin Xu +3

    Maqola20166 iqtibos
    ABI

  6. Molecular Dynamics Simulations of Melting Iron Nanoparticles with/without Defects Using a Reaxff Reactive Force Field

    Junlei Sun, Pingan Liu, Mengjun Wang +1

    Maqola20206 iqtibos
    ABI

  7. ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

    Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard

    Maqola20085 iqtibos
    ABI

  8. Extracting the inner wall from nested double-walled carbon nanotube by platinum nanowire: molecular dynamics simulations

    Dan Xia, Yongchao Luo, Qiang Li +4

    Maqola20174 iqtibos
    ABI

  9. Effect of interwall interaction on the electronic structure of double-walled carbon nanotubes

    Matias Soto, Travis Boyer, S. Biradar +5

    Maqola20154 iqtibos
    ABI

  10. Nanocapillarity and Chemistry in Carbon Nanotubes

    D. Ugarte, A. Châtelain, Walt A. de Heer

    Maqola19963 iqtibos
    ABI

  11. Carbon nanotubes: past, present, and future

    Sumio Iijima

    Maqola20023 iqtibos
    ABI

  12. Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing

    Viktor Zólyomi, János Koltai, Á. Rusznyák +6

    Maqola20083 iqtibos
    ABI

  13. Phase Transition for a Hard Sphere System

    B. J. Alder, T. E. Wainwright

    Maqola19573 iqtibos
    ABI

  14. Effects of different palladium content loading on the hydrogen storage capacity of double-walled carbon nanotubes

    Huimin Wu, David Wexler, Huan Liu

    Maqola20123 iqtibos
    ABI

  15. A molecular dynamics study of the mechanical properties of a double-walled carbon nanocoil

    Shin‐Pon Ju, Jenn-Sen Lin, Hui‐Lung Chen +6

    Maqola20133 iqtibos
    ABI

  16. Abstraction of D chemisorbed on graphite (0001) with gaseous H atoms

    Thomas Zecho, A. Güttler, Xianwei Sha +3

    Maqola20023 iqtibos
    ABI

  17. Carbon Nanotubes Activate Store-Operated Calcium Entry in Human Blood Platelets

    Silvia H. De Paoli Lacerda, Jana Šemberová, Karel Holada +3

    Maqola20113 iqtibos
    ABI

  18. Nitrogen-Doped Carbon Nanotube and Graphene Materials for Oxygen Reduction Reactions

    Qiliang Wei, Xin Tong, Gaixia Zhang +3

    Maqola20152 iqtibos
    ABI

  19. Nitrogen doping effects on the structure behavior and the field emission performance of double-walled carbon nanotubes

    Kyoung-Yong Chun, Heon Sang Lee, Cheol Jin Lee

    Maqola20082 iqtibos
    ABI

  20. Electronic structures and three-dimensional effects of boron-doped carbon nanotubes

    Takashi Koretsune, Susumu Saito

    Maqola20082 iqtibos
    ABI

  21. Quantum studies of Eley–Rideal reactions between H atoms on a graphite surface

    Xianwei Sha, Bret Jackson, Didier Lemoine

    Maqola20022 iqtibos
    ABI

  22. Tailoring N-Doped Single and Double Wall Carbon Nanotubes from a Nondiluted Carbon/Nitrogen Feedstock

    Paola Ayala, A. Grüneis, Thomas Gemming +9

    Maqola20072 iqtibos
    ABI

  23. Synthesis of highly nitrogen-doped multi-walled carbon nanotubes

    Marianne Glerup, M. Castignolles, Michael Holzinger +3

    Maqola20032 iqtibos
    ABI

  24. Nitrogen Doped Carbon Nanotubes from Organometallic Compounds: A Review

    Edward N. Nxumalo, Neil J. Coville

    Sharh maqola20102 iqtibos
    ABI

  25. Ab initio study of hydrogen chemisorption in nitrogen-doped carbon nanotubes

    J.D. Correa, Elizabeth Flórez, M.E. Mora‐Ramos

    Maqola20162 iqtibos
    ABI