First principles quantitative modeling of molecular devices
In this thesis, we report theoretical investigations ofnonlinear and nonequilibrium quantum electronic transport propertiesof molecular transport junctions from atomistic first principles.The aim is to seek not only qualitative but alsoquantitative understanding of the correspondingexperimental data...
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| Format: | Others |
| Language: | en |
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McGill University
2011
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| Online Access: | http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=97011 |