Double-walled carbon nanotube deformation by interacting with a nickel surface: A DFT study

The effect of interaction between (4,4)@(9,9) double-walled carbon nanotube and Ni(111) surface is studied by density functional theory calculations, including van der Waals interaction effects. Different modes of adsorption were evaluated. Calculations of adsorption energy, density of states, and c...

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Autores:

Tipo de recurso:

Fecha de publicación:

2020

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/5780

Acceso en línea:

http://hdl.handle.net/11407/5780

Palabra clave:

dipole formation
structural deformation
van der Waals interaction
Adsorption
Deformation
Density functional theory
Nanotubes
Nickel
Van der Waals forces
Adsorption energies
Charge redistribution
Density of state
dipole formation
Double walled carbon nanotubes
Structural deformation
Van der Waals interaction effect
Van Der Waals interactions
Multiwalled carbon nanotubes (MWCN)

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http://purl.org/coar/access_right/c_16ec