Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 5, Issue 10, Pages 1711-1718Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz500403h
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Funding
- Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]
- NSF [DMR-0938330]
- Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL)
- Center for Nanophase Materials Sciences (CNMS)
- ORNL by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE
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We report high-resolution scanning transmission electron microscopy images displaying a range of inclusions of isolated silicon atoms at the edges and inner zones of graphene layers. Whereas the incorporation of Si atoms to a graphene armchair edge involves no reconstruction of the neighboring carbon atoms, the inclusion of a Si atom to a zigzag graphene edge entails the formation of five-membered carbon rings. In all the observed atomic edge terminations, a Si atom is found bridging two C atoms in a 2-fold coordinated configuration. The atomic-scale observations are underpinned by first-principles calculations of the electronic and quantum transport properties of the structural anomalies. Experimental estimations of Si-doped graphene band gaps realized by means of transport measurements may be affected by a low doping rate of 2-fold coordinated Si atoms at the graphene edges, and 4-fold coordinated at inner zones due to the apparition of mobility gaps.
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