Van der Waals density functional studies of hydrogenated and lithiated bilayer graphene

Van der Waals density functional studies of hydrogenated and lithiated bilayer graphene

In this thesis, we use rst principles density functional theory (DFT) to study the energetics, structural and electronic properties of hydrogenated and lithiated bilayer graphene material systems. The newly developed four variants of the non-local van der Waals (vdW) exchange-correlation functio...

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Bibliographic Details
Main Author: Mapasha, Refilwe Edwin
Other Authors: Chetty, Nithaya
Language:en
Published: 2014
Subjects:
Density functional theory (DFT)
Lithiated bilayer graphene
UCTD
Online Access:http://hdl.handle.net/2263/40220
Mapasha, RE 2014, Van der Waals density functional studies of hydrogenated and lithiated bilayer graphene, PhD thesis, University of Pretoria, Pretoria, viewed yymmdd <http://hdl.handle.net/2263/40220>

Internet

http://hdl.handle.net/2263/40220
Mapasha, RE 2014, Van der Waals density functional studies of hydrogenated and lithiated bilayer graphene, PhD thesis, University of Pretoria, Pretoria, viewed yymmdd <http://hdl.handle.net/2263/40220>

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