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Structural data were calculated and obtained by the DFT/B3LYP method. Seven different basis sets have been used to obtain the most appropriate results from comparison of data. Copyright © 2020 American Chemical Society.Two-dimensional materials (2DMs) have high potential in gas sensing, due to their large surface-to-volume ratio. However, most sensors based on 2DMs suffer from the lack of a steady state during gas exposure, hampering sensor calibration. Here, we demonstrate that analysis of the time differential of the signal output en
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