Improved binding between copper and carbon nanotubes in a composite using oxygen-containing functional groups
- Improved binding between copper and carbon nanotubes in a composite using oxygen-containing functional groups
- 박미나; 김병현; 김상학; 한도석; Gunn Kim; 이광렬
- carbon nanotube; metal; first principle calculation; binding energy; functional group
- Issue Date
- VOL 49, NO 3, 811-818
- The adsorption of Cu on defective carbon nanotubes (CNTs) functionalized with various
surface functional groups, including atomic oxygen (–O), hydroxyl (–OH) and carboxyl
(–COOH) groups, was investigated by density functional theory calculation. The chemical
interaction analysis revealed that the oxygen of the surface functional group can enhance
the interaction between the carbon and Cu. The oxygen of the functional group could
either promote electron exchange between Cu and carbon atoms, or directly interact with
Cu and, thus, played a key role of a glue between the Cu and the CNT surfaces. Among the
functional groups investigated, the carboxyl functional group resulted in the largest and
most consistent increase in the Cu binding energies on both pristine and defective CNTs.
The present calculations support recent experimental work suggesting an important role
of interfacial oxygen in the improvement of the mechanical properties of CNT/Cu
- Appears in Collections:
- KIST Publication > Article
- Files in This Item:
There are no files associated with this item.
- RIS (EndNote)
- XLS (Excel)
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.