SAIP2010

Interaction of diamond (1x1) and (2x1) reconstructed (111) surfaces with oxygen: A density functional theory study (DFT)

Not scheduled

CSIR Convention Centre

Presentation Track A - Condensed Matter Physics and Material Science

Speaker

Dr NICHOLAS MAKAU (MOI UNIVERSITY, ELDORET, KENYA)

Description

The properties of oxygen atoms on C(111)-(1x1) and the (2x1) reconstructed surfaces have been investigated using DFT. The on-top site is preferred by oxygen atoms on the (1x1) surface, while the bridge site is favourable on the (2x1) reconstructed surface. Other properties like stability and workfunction are also reported.