Published October 18, 2024
| Version v1
Dataset
Open
Enhanced Catalytic Performance of a Single-Atom Cu on Mo2C toward the CO2/CO Hydrogenation to Methanol: A First-Principles Study_dataset
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1.
Universitat Autònoma de Barcelona
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2.
TU Wien
Description
Dataset of inputs and outputs concerning mechanisms, bader charge analysis, frequency analysis and model used in the study namely: Enhanced Catalytic Performance of a Single-Atom Cu on Mo2C toward the CO2/CO Hydrogenation to Methanol: A First-Principles Study published on Cat. Sci. Technol. (DOI: 10.1039/d4cy00703d).
Files
Bader.zip
Files
(1.4 GB)
| Name | Size | |
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md5:30ba1db61aba15b34701d49dc9190abe
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661.3 MB | Preview Download |
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md5:c262f95c0faedc22449fd9c608f4169d
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50.3 MB | Preview Download |
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md5:d58e7204bf7f1e0ab0c399235b1bd761
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1.9 kB | Preview Download |
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md5:4de2bbe9d1c797c59637717294995811
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717.6 MB | Preview Download |
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md5:9f3ba553028f9af89291569afbd5aa99
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563.0 kB | Preview Download |
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md5:38f4c9a763c9c8739fd8b2ee87339062
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727.0 kB | Preview Download |
Additional details
Related works
- Is supplement to
- Dataset: 10.19061/iochem-bd-6-100 (Other)