Probing the nano-scale with first-principles calculations

Tsetseris, L; Pantelides, S

dc.contributor.author	Tsetseris, L	en
dc.contributor.author	Pantelides, S	en
dc.date.accessioned	2014-03-01T01:57:01Z
dc.date.available	2014-03-01T01:57:01Z
dc.date.issued	2008	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/28292
dc.subject	Carbon Nanotube	en
dc.subject	Computer Simulation	en
dc.subject	First Principle	en
dc.subject	first-principles calculation	en
dc.subject	Kinetics	en
dc.subject	Metallic Surface	en
dc.subject	nanowires	en
dc.subject	Physical Properties	en
dc.title	Probing the nano-scale with first-principles calculations	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.mseb.2008.06.010	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.mseb.2008.06.010	en
heal.publicationDate	2008	en
heal.abstract	The fabrication of materials and structures with nano-scale features holds great promise for the realization of systems with novel physical properties and enhanced functionality. Here we review results from first-principles calculations on nano-structures and demonstrate some of the current capabilities for the use of computer simulations as an explanatory or predictive tool of nano-science. We discuss results on the possibility	en
heal.journalName	Materials Science and Engineering B-advanced Functional Solid-state Materials	en
dc.identifier.doi	10.1016/j.mseb.2008.06.010	en