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Journal of Nanomaterials
Volume 2015, Article ID 504103, 7 pages
Research Article

Highly Sensitive CO Gas Sensor from Defective Graphene: Role of van der Waals Interactions

Nano Structural Materials Center, School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, Jiangsu 210094, China

Received 20 May 2015; Accepted 11 June 2015

Academic Editor: Xuping Sun

Copyright © 2015 Yingda Jiang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Layered materials, such as graphene, have attracted increasing interests since they can be extensively used in gas sensors, spintronic devices, and transparent electrodes. Although larger size of graphene sheets has been fabricated, in reality, the existence of the defects in layered materials is almost inevitable during the manufacturing process. Here, we performed the state-of-the-art density-functional theory calculations to study the interactions between CO molecule and the pristine and defective graphene layers, with the aim of designing a CO gas sensor with higher sensitivity. The van der Waals interactions predominate the binding between the CO gas and the sensor, and also significantly enhance the stability of the system. The defective graphene strongly interacts with CO, and thus enhances the sensitivity of the graphene and further tunes the electronic and magnetic properties of the entire system. Our computed results clearly demonstrate that the defective graphene could be a good sensor for gas molecules.