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有偿求助GCMC计算做密度吸附图,动力学模拟 已有1人参与
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Journal of Hazardous Materials 2021, Volume 401, 123340. Novel green phosphorene as a superior chemical gas sensing material In this work, we have further employed the statistical thermodynamic model to estimate the adsorption density which is a macroscopic measurable to describe the sensitivity and it is fundamentally correlated with the theoretically obtained Eb values. The interaction between the sensor’s surface and the target adsorbate along the vertical z-direction is described using Morse potential. |
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