Published March 8, 2022
| Version v1
Dataset
Open
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)"
Authors/Creators
- 1. Donostia International Physics Center (DIPC), Paseo M Lardizabal 4, 20018 San Sebastián, Spain; Advanced Polymers and Materials: Physics, Chemistry and Technology, Chemistry Faculty (UPV/EHU), Paseo M Lardizabal 3, 20018 San Sebastián, Spain; Centro de Física de Materiales CFM/MPC(CSIC-UPV/EHU), Paseo M Lardizabal 5, 20018 San Sebastián, Spain
- 2. Centro de Física de Materiales CFM/MPC(CSIC-UPV/EHU), Paseo M Lardizabal 5, 20018 San Sebastián, Spain
- 3. Centro de Física de Materiales CFM/MPC(CSIC-UPV/EHU), Paseo M Lardizabal 5, 20018 San Sebastián, Spain; Donostia International Physics Center (DIPC), Paseo M Lardizabal 4, 20018 San Sebastián, Spain
- 4. Donostia International Physics Center (DIPC), Paseo M Lardizabal 4, 20018 San Sebastián, Spain; Advanced Polymers and Materials: Physics, Chemistry and Technology, Chemistry Faculty (UPV/EHU), Paseo M Lardizabal 3, 20018 San Sebastián, Spain; Centro de Física de Materiales CFM/MPC(CSIC-UPV/EHU), Paseo M Lardizabal 5, 20018 San Sebastián, Spain; Ikerbasque Research Foundation for Science, Plaza Euskadi, 5, Bilbao 48009, Spain
Description
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/).
Files
Nanoscale_13_15215_2021_data.zip
Files
(130.2 kB)
| Name | Size | Download all |
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md5:b2b595dd3531db504b4d11e61a76abfe
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Additional details
Related works
- Is supplement to
- Journal article: 10.1039/D1NR04229G (DOI)
- Journal article: 10261/258795 (Handle)