Theoretical explorations on the armchair BN nanotube with defects
Source abstract
Abstract
A systematic study of armchair boron nitride nanotubes (BNNTs) with defects has been carried out within density functional theory. The effect brought by the defects is localized. The defect sites have major contribution to the frontier molecular orbital and change the conductivity of the BNNTs. The defect sites are reactive centers. The substitution of boron with carbon enhances the field emission of the tubes. Doping or vacancy defect creates active center on nanotubes, thus broadening the applications of nanotubes in chemistry and material sciences through functionalization.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Boron and Carbon Nanomaterials Research · Graphene research and applications · MXene and MAX Phase Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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