Dataset for the paper "First-principles-based screening of subnanometric Ptn/M-MFI catalysts for high-efficient propane dehydrogenation"
Fuente:
Zenodo
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Recurso digital |
| Veröffentlicht: |
Zenodo
2026
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866902138538426368 |
|---|---|
| author | Fan, Huahua |
| author_facet | Fan, Huahua |
| contents | <p>This repository contains all DFT-calculated structures from the research article titled <strong>"First-Principles-Based Screening of Subnanometric Ptₙ/M-MFI Catalysts for Highly Efficient Propane Dehydrogenation."</strong></p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18243741 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Dataset for the paper "First-principles-based screening of subnanometric Ptn/M-MFI catalysts for high-efficient propane dehydrogenation" Fan, Huahua Propane dehydrogenation, Subnanometric Pt-based catalysts, Density functional theory, Descriptor-based screening, Structure-activity relationship <p>This repository contains all DFT-calculated structures from the research article titled <strong>"First-Principles-Based Screening of Subnanometric Ptₙ/M-MFI Catalysts for Highly Efficient Propane Dehydrogenation."</strong></p> |
| title | Dataset for the paper "First-principles-based screening of subnanometric Ptn/M-MFI catalysts for high-efficient propane dehydrogenation" |
| topic | Propane dehydrogenation, Subnanometric Pt-based catalysts, Density functional theory, Descriptor-based screening, Structure-activity relationship |
| url | https://doi.org/10.5281/zenodo.18243741 |