Presenter: Qinghong Yuan (Research Fellow, Bernhardt Group, AIBN)

Title: Growth rate and defect healing of single-walled carbon nanotube: A theoretical investigation

Abstract: The production of single-walled carbon nanotubes (SWCNTs) with any desired atomic structure is crucial for their applications in electronics, because each type of SWCNT has its own electronic properties which are uniquely dependent on its chiral indexes (n,m). Unfortunately, SWCNTs synthesized by chemical vapor deposition (CVD) method were found to have mixed structures, which greatly impeded their applications in electronics. Understanding the CVD growth mechanism is essential to achieve the controllable synthesis of SWCNTs with unique chiral indexes.

Using the first-principles theoretical calculations, we studied the growth kinetics and defect healing process during SWCNTs’ CVD growth. It was found that armchair and zigzag SWCNTs have different atomistic growth mechanism, which explained the ultra-fast growth of armchair SWCNT and ultra-low growth of zigzag SWCNT. Also the formation and healing of defects during the CVD process are investigated, and the growth of 1-10 cm long perfect CNTs under optimal conditions is predicated to be possible. Our theoretical predictions have been confirmed by experimental groups.


Date: Thursday, 16 November 2017

Time: 9.30 – 10.30am

Venue: AIBN Seminar Room, Level 1 (Building 75)