The interaction of carbon and boron nitride nanotubes as well as graphene with metals
Abstract
The interaction of carbon nanotubes with metals is significant for a wide variety of applications. For example, the binding of tubes to transition metal nanoparticles plays a role in their catalytic growth, as well as in their nucleation observed by ETEM, HRTEM, STM or Raman measurement. We performed quantum chemical calculations to investigate (i) the binding strength and geometry of a variety of metals with carbon nanotubes and graphene (ii) the curvature dependence of the binding energy and lastly (iii) we offer an explanation as to why the reported metal-CNT/graphene binding strength varies widely in the literature.
C. R. acknowledges the support under the Cooperative Research Agreement between the University of Maryland and the National Institute of Standards and Technology Center for Nanoscale Science and Technology, Award 70NANB14H209, through the University of Maryland.- Publication:
-
APS March Meeting Abstracts
- Pub Date:
- 2019
- Bibcode:
- 2019APS..MARP18005R