Dataset supporting the paper "Transmitting Stepwise Rotation among Three Molecule-Gear on the Au(111) Surface. J.Phys.Chem.Lett. 11 6892 (2020)"
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下载链接：
https://zenodo.org/record/6123858
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资源简介：
Dataset corresponding to figure 3 of the paper "Transmitting Stepwise Rotation among Three Molecule-Gear on the Au(111) Surface. J.Phys.Chem.Lett. 11 6892 (2020), DOI: 10.1021/acs.jpclett.0c01747"
List of files:
There are two folders corresponding to brominated and debrominated structures:
.siesta files: STM simulated images in WsXM format (http://www.wsxm.eu/) simulated using STMpw (https://doi.org/10.5281/zenodo.3581159).
CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/)
创建时间：
2022-05-20
