defected_phosphorene_ACS_2023
收藏DataCite Commons2024-03-28 更新2024-07-13 收录
下载链接：
https://materials.colabfit.org/id/DS_k059wtxqsksu_0
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资源简介：
This dataset contains pristine monolayer phosphorene as well as structures with monovacancies which were used to train an artificial neural network (ANN) for use with a high-dimensional neural network potentials molecular dynamics (HDNNP-MD) simulation. The publication investigates the mechanism and rates of the processes of defect diffusion, as well as monovacancy-to-divacancy defect coalescence.
提供机构：
ColabFit
创建时间：
2024-03-28
