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Boron nitride and graphene 2D nanostructures from first-principles
(Bilkent University, 2010)
In this thesis, the structures as well as mechanical and electronic properties of various boron nitride (BN) and graphene based two dimensional (2D) nano-structures are investigated in detail from rst-principle calculations ...
Titanium dioxide nanostructures for photocatalytic and photovoltaic applications
(Bilkent University, 2008)
In this thesis, TiO2 nanostructures and their photocatalytic and photovoltaic ap- plications have been investigated by using the ¯rst-principles calculations based on density functional theory. We have concentrated on ...
Spintronic properties of carbon and silicon based nanostructures
(Bilkent University, 2007)
In this thesis, nanostructures which may display novel spintronic behaviors are revealed and their properties are investigated by using first-principles methods. We have concentrated on three different systems, namely ...