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

Molecular dynamics with coupling to an external bath
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Canonical sampling through velocity rescaling
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Chemically Doped Double-Walled Carbon Nanotubes: Cylindrical Molecular Capacitors
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Mechanisms of selective nanocarbon synthesis inside carbon nanotubes
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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
Maqola20149 iqtibos
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Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors
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Catalyzed growth of encapsulated carbyne
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van der Waals Volumes and Radii
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Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs
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Maqola20196 iqtibos
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Electronic Structure and Stability of Semiconducting Graphene Nanoribbons
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
Graeme Henkelman, Hannes Jónsson
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Linear carbon chains encapsulated in multiwall carbon nanotubes: Resonance Raman spectroscopy and transmission electron microscopy studies
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Maqola20155 iqtibos
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Direct observation of Pt-terminating carbyne on graphene
Emi Kano, Masaki Takeguchi, Jun‐ichi Fujita +1
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Carbyne from First Principles: Chain of C Atoms, a Nanorod or a Nanorope
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Ballistic Thermal Transport in Carbyne and Cumulene with Micron-Scale Spectral Acoustic Phonon Mean Free Path
Mingchao Wang, Shangchao Lin
Maqola20155 iqtibos
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Growth of Linear Carbon Chains inside Thin Double-Wall Carbon Nanotubes
Changhui Zhao, Ryo Kitaura, H. Hara +2
Maqola20115 iqtibos
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Bottom-Up Synthesis of Metalated Carbyne
Qiang Sun, Liangliang Cai, Shiyong Wang +8
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Effects of pressure on the structural and electronic properties of linear carbon chains encapsulated in double wall carbon nanotubes
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Atomic and electronic structures of stable linear carbon chains on Ag-nanoparticles
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Can endohedral transition metals enhance hydrogen storage in carbon nanotubes?
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Specific surface area of carbon nanotubes and bundles of carbon nanotubes
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Carbon Nanowire Made of a Long Linear Carbon Chain Inserted Inside a Multiwalled Carbon Nanotube
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Mechanically Induced Metal–Insulator Transition in Carbyne
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Maqola20144 iqtibos
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Direct observation of the formation of linear C chain/carbon nanotube hybrid systems
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Maqola20094 iqtibos
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