Work

Ordered Behavior of Phosphorus Atoms on the Surface of Silicene: Dft Calculations

Year: 2023

Type: conference-paper

Abstract: In this study, we employed quantum mechanical calculations to investigate the behavior of phosphorus atoms on the surface of a 2D silicon, known as silicene. We conducted a detailed analysis of the changes in binding energy for the adsorption or substitution of one or two phosphorus atoms on the silicene surface. Additionally, we determined the activation energies for diffusion in the cases of single and diatomic adsorption.

Source: International Conference on Mathematical Modeling in Materials Science of Electronic Components (MMMSEC)

DOI: 10.29003/m3608.mmmsec-2023/136-140

Authors: Anastasia Prokhorenko, Anton Gnidenko, Andrey Chibisov, Maria Chibisova

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

OpenAlex ID: W4387906830

FWCI:

Cites: 30

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Related to: 10