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 language | English |
|---|---|
| Pages (from-to) | 803-807 |
| Number of pages | 5 |
| Journal | Current Applied Physics |
| Volume | 13 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - 2013 Jul 1 |
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All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Physics and Astronomy(all)
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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 journal › Article
TY - JOUR
T1 - Polar oxide substrates for graphene growth
T2 - A first-principles investigation of graphene on MgO(111)
AU - Min, Kyung Ah
AU - Park, Jinwoo
AU - Ryou, Junga
AU - Hong, Suklyun
AU - Soon, Aloysius
PY - 2013/7/1
Y1 - 2013/7/1
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=84875370856&partnerID=8YFLogxK
U2 - 10.1016/j.cap.2012.10.013
DO - 10.1016/j.cap.2012.10.013
M3 - Article
AN - SCOPUS:84875370856
VL - 13
SP - 803
EP - 807
JO - Current Applied Physics
JF - Current Applied Physics
SN - 1567-1739
IS - 5
ER -