Li adsorption on graphene data from "Incorporating Long-range Electrostatics in Neural Network Potentials via Variational Charge Equilibration from Shortsighted Ingredients"

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锂原子吸附

石墨烯表面模拟

数据链接：

https://zenodo.org/record/10574374 数据链接链接失效反馈

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资源简介：

Lithium adsorption on 2x2 4x4 and 8x8 supercells of graphene in extended xyz file format. Li atoms are randomly placed on the surface of graphene at different heights between 1.6 and 2.8 Angstrom above graphene.

创建时间：

2024-01-27

Li adsorption on graphene data from "Incorporating Long-range Electrostatics in Neural Network Potentials via Variational Charge Equilibration from Shortsighted Ingredients"

资源简介：

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