Polar oxide substrates for graphene growth: A first-principles investigation of graphene on MgO(111)

Kyung Ah Min, Jinwoo Park, Junga Ryou, Suklyun Hong, Aloysius Soon

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

Given the recent excitement over the truly two-dimensional carbon "super" material-graphene, there is now much effort and focus on the various possibilities of engineering the band gap of graphene for its device applications. One possible and promising route will be to grow graphene directly on some non-metallic substrates. In this paper, we address the atomic and electronic structure of various graphene structures on the polar MgO(111) using first-principles density-functional theory (DFT) calculations. We find that graphene generally interacts strongly with the O-terminated polar oxide surface, forming strong chemical bonds, inferred from both energetics and detailed density-of-states analysis. We compare our theoretical findings with available experimental results, offering a possible direction for future band gap engineering of graphene on such oxide substrates.

Original languageEnglish
Pages (from-to)803-807
Number of pages5
JournalCurrent Applied Physics
Volume13
Issue number5
DOIs
Publication statusPublished - 2013 Jul 1

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Oxides
Graphene
graphene
oxides
Substrates
Energy gap
engineering
Crystal atomic structure
Chemical bonds
chemical bonds
atomic structure
Electronic structure
Density functional theory
Carbon
routes
density functional theory
electronic structure
carbon

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Physics and Astronomy(all)

Cite this

Min, Kyung Ah ; Park, Jinwoo ; Ryou, Junga ; Hong, Suklyun ; Soon, Aloysius. / Polar oxide substrates for graphene growth : A first-principles investigation of graphene on MgO(111). In: Current Applied Physics. 2013 ; Vol. 13, No. 5. pp. 803-807.
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Polar oxide substrates for graphene growth : A first-principles investigation of graphene on MgO(111). / Min, Kyung Ah; Park, Jinwoo; Ryou, Junga; Hong, Suklyun; Soon, Aloysius.

In: Current Applied Physics, Vol. 13, No. 5, 01.07.2013, p. 803-807.

Research output: Contribution to journalArticle

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