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Data · dataset · 2023

Adsorption of Cs-O on Graphene: Modification of the Anderson–Newns Model for the Calculation of Work Function Variation

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A modified Anderson–Newns (A–N) model for calculating the work function and the charge transfer of Cs-O-adsorbed graphene surface with the coverage of adsorbed particles is proposed.

Description

The calculation of the length of adsorption bond k is optimized. The work function and the amount of charge transfer for different coverage of Cs-O molecules are calculated, and the calculated results variations are in reasonable agreement with the experimental data.

As coverage h increases, the amount of charge transfer Z decreases and the work function u first decreases to a certain value and then increases slightly. When h = 0.8, the work function u reaches a minimum value of 0.7.

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Nanotechnology 70%
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