Growth mechanisms for TiO2 at its rutile (110) surface

Mechanisms for growth on the rutile (110) surface were investigated using a combination of ab initio, variable charge classical molecular dynamics and kinetic Monte Carlo methods. Ab initio calculations were performed to determine relevant energy barriers and these were used to parameterise a variab...

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Bibliographic Details

Main Authors:	Louis J. Vernon, Steven Kenny, Roger Smith, E. Sanville
Format:	Default Article
Published:	2011
Subjects:	Other mathematical sciences not elsewhere classified untagged Mathematical Sciences not elsewhere classified
Online Access:	https://hdl.handle.net/2134/19683
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