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Copyright © 2020 American Chemical Society.Realizing the diagnosis of lung cancer at an inchoate stage is significant to get valuable time to conduct curative surgery. In this work, we relied on a density functional theory (DFT)-proposed Ru-SnS2 monolayer as a novel, promising biosensor for lung cancer diagnosis through exhaled gas analysis. The results indicated that the Ru-SnS2 monolayer has admirable adsorption performance for three typical volatile organic compounds (VOCs) of lung cancer patients, which therefore results in a remar