How the nature of the promoter -Ga vs. Zn- shapes copper-based CO2 hydrogenation catalyst structures evaluated via metadynamics

Name: How the nature of the promoter -Ga vs. Zn- shapes copper-based CO2 hydrogenation catalyst structures evaluated via metadynamics
Creator: Zenodo
Published: 2026-02-18T15:15:42+08:00

Zenodo2026-02-18 更新2026-05-26 收录

CO2加氢催化

催化剂结构模拟

数据链接：

https://zenodo.org/doi/10.5281/zenodo.18679312 数据链接链接失效反馈

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资源简介：

Dataset from our paper "How the nature of the promoter -Ga vs. Zn- shapes copper-based CO2 hydrogenation catalyst structures evaluated via metadynamics". They correspond to the textual output CP2K files of the type: file-pos.xyz, file-vel.xyz, frc.xyz. All are raw data and human-readable.

提供机构：

Zenodo

创建时间：

2026-02-18