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Application of Carbon Nanotubes as Electromechanical Sensors — Results from First‐Principles Simulations
Author(s) -
Maiti A.
Publication year - 2001
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200107)226:1<87::aid-pssb87>3.0.co;2-f
Subject(s) - bending , bent molecular geometry , carbon nanotube , materials science , hexagonal crystal system , molecular dynamics , atomic force microscopy , nanotechnology , deformation (meteorology) , density functional theory , nanotube , chemical physics , composite material , computational chemistry , crystallography , physics , chemistry
A combination of First‐Principles Density Functional Theory (DFT) and classical molecular dynamics with interatomic potential is used to examine bonding differences between two types of nanotube deformation: 1. bending, and 2. pushing with atomically sharp AFM tips. Bent tubes maintain an all‐hexagonal network up to large bending angles. AFM‐probed tubes, in contrast, display a more interesting behavior, which depends on the representation of the AFM tip