Electronic structure of single‐walled carbon nanotube on metal surfaces by first principles calculations

Autor:	Susumu Okada, Yoshiteru Takagi
Rok vydání:	2010
Předmět:	Materials science Valence (chemistry) Nanotechnology Electronic structure Carbon nanotube Condensed Matter Physics law.invention Metal Adsorption Covalent bond law Chemical physics visual_art visual_art.visual_art_medium Metal electrodes
Zdroj:	physica status solidi c. 8:564-566
ISSN:	1610-1642 1862-6351
DOI:	10.1002/pssc.201000470
Popis:	We investigate electronic structure of semiconducting single-walled carbon nanotube (SWCNT) adsorbed on (111) surfaces of Au and Pd by the first-principle calculations. Our calculation shows that the electronic structure of SWCNT adsorbed on metal surfaces strongly depends on the metal species. On the Pd surfaces, it has been found that the characteristic one-dimensional electronic structure of SWCNT is totally disrupted by the strong hybridization between π state of SWCNT and d state of Pd surfaces. In sharp contrast, on the Au surfaces, SWCNT keeps its one-dimensional properties of electronic structure. The distribution of the total valence charge for SWCNT on Pd surfaces also show that the strong covalent nature between CNT and surfaces. The present calculation show the importance of the metal electrodes for designing SWCNT electronic devices (© 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Databáze:	OpenAIRE
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