Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene
Abstract
In this paper, 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. Finally, 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.
- Authors:
-
- Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences Division
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF)
- OSTI Identifier:
- 1356648
- Grant/Contract Number:
- AC02-06CH11357; AC05-00OR22725; DMR-0938330
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry Letters
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 10; Journal ID: ISSN 1948-7185
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; edge; electronic structure; graphene; mobility gap; silicon
Citation Formats
Lopez-Bezanilla, Alejandro, Zhou, Wu, and Idrobo, Juan-Carlos. Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene. United States: N. p., 2014.
Web. doi:10.1021/jz500403h.
Lopez-Bezanilla, Alejandro, Zhou, Wu, & Idrobo, Juan-Carlos. Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene. United States. https://doi.org/10.1021/jz500403h
Lopez-Bezanilla, Alejandro, Zhou, Wu, and Idrobo, Juan-Carlos. Thu .
"Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene". United States. https://doi.org/10.1021/jz500403h. https://www.osti.gov/servlets/purl/1356648.
@article{osti_1356648,
title = {Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene},
author = {Lopez-Bezanilla, Alejandro and Zhou, Wu and Idrobo, Juan-Carlos},
abstractNote = {In this paper, 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. Finally, 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.},
doi = {10.1021/jz500403h},
journal = {Journal of Physical Chemistry Letters},
number = 10,
volume = 5,
place = {United States},
year = {Thu May 01 00:00:00 EDT 2014},
month = {Thu May 01 00:00:00 EDT 2014}
}
Web of Science
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