Role of chemical termination in edge contact to graphene

Journal Article · Thu May 01 00:00:00 EDT 2014 · APL Materials

DOI:https://doi.org/10.1063/1.4876635· OSTI ID:22269163

Gao, Qun; Guo, Jing ^[1]

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1. Department of Electrical and Computer Engineering, University of Florida, Gainesville, Florida 32611 (United States)

Edge contacts to graphene can offer excellent contact properties. Role of different chemical terminations is examined by using ab initio density functional theory and quantum transport simulations. It is found that edge termination by group VI elements O and S offers considerably lower contact resistance compared to H and group VII element F. The results can be understood by significantly larger binding energy and shorter binding distance between the metal contact and these group VI elements, which results in considerably lower interface potential barrier and larger transmission. The qualitative conclusion applies to a variety of contact metal materials.

• OSTI ID: 22269163
• Journal Information: APL Materials, Vol. 2, Issue 5; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 2166-532X
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
77 NANOSCIENCE AND NANOTECHNOLOGY
BINDING ENERGY
DENSITY FUNCTIONAL METHOD
GRAPHENE
METALS
SIMULATION
TRANSMISSION