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Journal of Sensors
Volume 2018, Article ID 2316712, 7 pages
Research Article

Adsorption Mechanism of Typical Gases Exhaled by Lung Cancer Patients on the Anatase TiO2 (101) Surface

1Zhongnan Hospital of Wuhan University, Wuhan, Hubei, China
2School of Electrical Engineering, Wuhan University, Wuhan, Hubei, China
3State Key Laboratory of Power Transmission Equipment & System Security and New Technology, Chongqing University, Chongqing 400044, China

Correspondence should be addressed to Yancheng Xu; nc.ude.uhw@109001ljx

Received 12 August 2017; Revised 27 October 2017; Accepted 28 November 2017; Published 9 January 2018

Academic Editor: Giorgio Pennazza

Copyright © 2018 Qianqian Wan 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.


Considerable researches have proved that, to a great extent, high death rate of lung cancer is on account of its crypticity in the early stage, and detection of typical exhaled gases of possible patients has emerged as an effective and workable method to realize the prognosis of lung cancer. In this paper, the adsorption of the three typical exhaled components, namely, C6H6, C8H8, and C5H8, of lung cancer patients on the anatase TiO2 (101) surface was simulated based on the density functional theory method in order to recommend TiO2 nanotube arrays as sensing materials to fulfill this aim. Analysis based on adsorbing parameters, frontier molecular orbital theory, and density of states congruously implies that the anatase TiO2 (101) surface possesses certain sensitivity to these three gases, especially to C8H8 which possesses the best activity to be adsorbed on the proposed surface. Our experimental study showed great consensus with the theoretical calculations. Therefore, TiO2 nanotube arrays can be applied as proper gas-sensing material for the preparation of lung cancer prognosis sensors as a family device to realize the simple and convenient detection of lung cancer in our daily life.