Tailoring the electronic structure of graphene for catalytic and nanoelectronic applications

Federico Calle Vallejo, Juan Maria García Lastra

Research output: Chapter in Book/Report/Conference proceedingArticle in proceedingsResearchpeer-review

Abstract

We explore possible routes to tailor the catalytic and electronic properties of graphitic materials through doping. The investigation is carried out by theoretical Density Functional Theory (DFT) and tight-binding calculations. We show that Feporphyrin- like sites inserted in graphitic sheets, created after doping are active towards the Oxygen Reduction reaction (ORR). On the other hand, we also show that it is possible to tune the opening of a gap in the band structure of graphene by changing the adsorption periodicity of molecules on its surface.
Original languageEnglish
Title of host publicationProceedings of 2011 International Symposium on Advanced Packaging Materials
Publication date2011
ISBN (Print)9781467301480
DOIs
Publication statusPublished - 2011
EventInternational Symposium on Advanced Packaging Materials - Xiamen, China
Duration: 1 Jan 2011 → …

Conference

ConferenceInternational Symposium on Advanced Packaging Materials
CityXiamen, China
Period01/01/2011 → …

Keywords

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