Comparative study of defects in graphene flake grown on amorphous and crystalline copper surfaces
收藏DataCite Commons2026-03-12 更新2025-05-18 收录
下载链接：
https://archive.materialscloud.org/doi/10.24435/materialscloud:mb-da
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资源简介：
We performed a computational study using Density Functional Theory calculations on a copper-graphene system. A global minima search was performed using the Minima Hopping algorithm to find multiple graphene isomers that can appear on different substrates. As a model of copper substrate, we used a 112 copper atom cluster and as a model of graphene flake, we used 40 carbon atoms on top of the copper surface. The system was placed in vacuum to guarantee no interaction between images.
The dataset contains coordinates of graphene flake isomers on crystalline and amorphous Cu substrates.
提供机构：
Materials Cloud
创建时间：
2025-04-17
