TY - JOUR
T1 - Graphene Nanoribbons-Based Ultrasensitive Chemical Detectors
AU - Krepel, Dana
AU - Peralta, Juan E.
AU - Scuseria, Gustavo E.
AU - Hod, Oded
N1 - Funding Information:
This work was supported by the Israel Science Foundation (ISF) under Grant 1313/08, the European Community’s Seventh Framework Programme FP7/2007-2013 under Grant 249225, the Center for Nanoscience and Nanotechnology at Tel-Aviv University, and the Lise Meitner-Minerva Center for Computational Quantum Chemistry. J.E.P. acknowledges support from NSF DMR-1206920. The work at Rice University was supported by the U.S. National Science Foundation Grant CHE-1462434. G.E.S. is a Welch Foundation Chair (C-0036). The authors would like to thank Prof. Haim Diamant for many enlightening and helpful discussions.
Publisher Copyright:
© 2016 American Chemical Society.
PY - 2016/2/25
Y1 - 2016/2/25
N2 - A computational study demonstrating the potential application of armchair graphene nanoribbons as ultrasensitive chemical detectors is presented. To this end, we propose the use of lithium adatoms, serving as surface anchoring sites, to allow for aromatic contaminant chemisorption that alters the all-carbon substrate electronic properties. The corresponding variations in the electronic transport characteristics, which are evaluated using a divide and conquer approach based on density functional theory, suggest device sensitivities as low as 10-5-10-9 ppbv. The microscopic understanding of the contaminant adsorption process and its influence on the electronic and transport properties of graphene nanoribbons gained in this study may assist in the rational design of ultrasensitive chemical detectors based on low-dimensional graphene derivatives.
AB - A computational study demonstrating the potential application of armchair graphene nanoribbons as ultrasensitive chemical detectors is presented. To this end, we propose the use of lithium adatoms, serving as surface anchoring sites, to allow for aromatic contaminant chemisorption that alters the all-carbon substrate electronic properties. The corresponding variations in the electronic transport characteristics, which are evaluated using a divide and conquer approach based on density functional theory, suggest device sensitivities as low as 10-5-10-9 ppbv. The microscopic understanding of the contaminant adsorption process and its influence on the electronic and transport properties of graphene nanoribbons gained in this study may assist in the rational design of ultrasensitive chemical detectors based on low-dimensional graphene derivatives.
UR - http://www.scopus.com/inward/record.url?scp=84959309335&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.5b11133
DO - 10.1021/acs.jpcc.5b11133
M3 - Article
AN - SCOPUS:84959309335
VL - 120
SP - 3791
EP - 3797
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 7
ER -