Optimized DFT structures associated with "Scaling‑free electro‑membrane crystallization enabled by electric field-assisted organic acid control"

Name: Optimized DFT structures associated with "Scaling‑free electro‑membrane crystallization enabled by electric field-assisted organic acid control"
Creator: Zenodo
Published: 2026-06-06T13:07:23+08:00

Zenodo2026-06-06 更新2026-06-12 收录

密度泛函理论计算

电膜结晶过程优化

数据链接：

https://zenodo.org/doi/10.5281/zenodo.20571206 数据链接链接失效反馈

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资源简介：

This dataset contains the optimized structures generated from DFT calculations reported in the manuscript: "Scaling‑free electro‑membrane crystallization enabled by electric field-assisted organic acid control" All structures were optimized using VASP 5.4.4 with the PBE functional and PAW potentials.

提供机构：

Zenodo

创建时间：

2026-06-06