Dataset supporting the paper "Power discontinuity and shift of the energy onset of a molecular de-bromination reaction induced by hot-electron tunneling. Nanoscale 13, 15215 (2021)"
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下载链接：
https://zenodo.org/record/6337416
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资源简介：
Dataset corresponding to theoretical calculations in the paper "Power discontinuity and shift of the energy onset of a molecular de-bromination reaction induced by hot-electron tunneling. Nanoscale 13, 15215 (2021)". DOI: 10.1039/D1NR04229G
List of files:
Several folders corresponding to the figures of the paper. They contain:
CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/).
.agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).
创建时间：
2022-05-20
