Molecular dynamics simulation study of Ni2+ adatom diffusion on the NiO (001) surface

dc.creator	Karakasidis, T. E.	en
dc.creator	Papageorgiou, D. G.	en
dc.creator	Evangelakis, G. A.	en
dc.date.accessioned	2015-11-23T10:33:06Z
dc.date.available	2015-11-23T10:33:06Z
dc.date.issued	2001
dc.identifier.uri	http://hdl.handle.net/11615/28987
dc.description.abstract	Using molecular dynamics simulations we studied the cation adatom diffusion on the NiO(001) surface. We found that there are two equilibrium adatom positions: one over an oxygen ion, that is raised by as much as 30% at high temperatures and another one over a flat region between the surface cations and anions. The adatom diffuses via hopping or exchange type mechanisms, in which the surface anions participate as well. The contribution of the two mechanisms to the total adatom diffusion is discussed.	en
dc.source.uri	<Go to ISI>://WOS:000171690100193
dc.subject	adatom diffusion	en
dc.subject	diffusion and migration	en
dc.subject	molecular dynamics	en
dc.subject	nickel	en
dc.subject	oxide	en
dc.subject	surface diffusion	en
dc.subject	TILT GRAIN-BOUNDARY	en
dc.subject	NICKEL-OXIDE	en
dc.subject	COMPUTER-SIMULATION	en
dc.subject	NIO(001)	en
dc.subject	SURFACE	en
dc.subject	DEFECTS	en
dc.subject	STM	en
dc.subject	COO	en
dc.subject	Materials Science, Multidisciplinary	en
dc.subject	Physics, Condensed Matter	en
dc.title	Molecular dynamics simulation study of Ni2+ adatom diffusion on the NiO (001) surface	en
dc.type	book	en

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