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Title: Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene

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:
 [1] ;  [2] ;  [3]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences Division
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC05-00OR22725; DMR-0938330
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
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; edge; electronic structure; graphene; mobility gap; silicon
OSTI Identifier:
1356648

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., 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. doi:10.1021/jz500403h.
Lopez-Bezanilla, Alejandro, Zhou, Wu, and Idrobo, Juan-Carlos. 2014. "Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene". United States. doi: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 = {2014},
month = {5}
}