Investigation of electronic properties of pd-terminated graphene nanoribbons

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Thesis Type: Postgraduate

Institution Of The Thesis: Gazi Üniversitesi, Fen Bilimleri Enstitüsü, Turkey

Approval Date: 2012

Student: ABDULLAH FATİH KULOĞLU

Supervisor: SEFER BORA LİŞESİVDİN

Abstract:

In this study, electronic properties variation of graphene nanoribbons with armchair edges depending on ribbon width and saturation of free bond at the edges were investigated with DFT. For exchange-correlation calculation, LDA was chosen. Calculations were performed for six different widths (Na = 5, 7, 9, 11, 13, 15) which are symmetrical. First of all, calculations performed for bare conditions. After, electronic properties variation of the structure depending on both-side H-terminated, single-side H terminated and another-side Pd terminated and both-side Pd terminated were investigated. Especially, in the Pd-terminated conditions, we observed that electronic properties of the structure dramatically changed. Obtained results important because of investigation of Pd and graphene relationship and it may be a guide for experimental studies.