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[交流] 有偿求助GCMC计算做密度吸附图,动力学模拟已有1人参与

有偿求助GCMC计算做密度吸附图,动力学模拟

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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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