Browsing Journal Articles by Subject "Ab Initio"

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Ab initio studies of vacancies in (8,0) and (8,8) single-walled carbon and boron nitride nanotubes

Author: Mashapa, MG ; Chetty, N ; Ray, Suprakas S Date: Sep 2012 A systematic study of vacancies in single-walled carbon nanotubes and boron nitride nanotubes was carried out. First principles calculations within the framework of density functional theory using the CASTEP code are used to optimize fully ... Read more

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Browsing Journal Articles by Subject "Ab Initio"

Browsing Journal Articles by Subject "Ab Initio"

Browse

All of ResearchSpace

This Collection

Quick Links

Legislation and compliance

General Enquiries

Social Connect