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Title: Role of chemical termination in edge contact to graphene

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.
Authors:
;  [1]
  1. Department of Electrical and Computer Engineering, University of Florida, Gainesville, Florida 32611 (United States)
Publication Date:
OSTI Identifier:
22269163
Resource Type:
Journal Article
Resource Relation:
Journal Name: APL Materials; Journal Volume: 2; Journal Issue: 5; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; BINDING ENERGY; DENSITY FUNCTIONAL METHOD; GRAPHENE; METALS; SIMULATION; TRANSMISSION