Table · dataset · 2024
Deciphering the Capacitance of the Pt(111)/Water Interface: A Micro- to Mesoscopic Investigation by AIMD and Implicit Solvation
Listed in Edmond
This dataset contains the ab initio molecular dynamics (AIMD) input files used for simulating the Pt(111)/water interface, as presented in the accompanying publication.
Description
The files include the system setup, and parameters necessary for reproducing the simulations, such as the exchange-correlation functional, pseudopotentials. These simulations were used to investigate water molecule interactions with the Pt(111) surface near the potential of zero charge (PZC), focusing on the structural and charge transfer characteristics of the interface.
Links
Where it is published
- Dataverse dataset page edmond.mpg.de/dataset.xhtml?persistentId=doi%3A10.17617%2F3.CCJE4H ↗
landing page · from edmond mpdl mpg de
- DOI doi.org/10.17617/3.ccje4h ↗
DOI / persistent id · from edmond mpdl mpg de
Catalogue records · 1
- Dataverse API edmond.mpg.de/api/datasets/:persistentId/?persistentId=doi%3A10.17617%2F3.CC… ↗
metadata API · from edmond mpdl mpg de
Topics
- From keywords
- Astronomy & Astrophysics · Chemistry · Chemistry · Computer Science & AI · Earth & Environmental Science · Earth & Environmental Science · Economics & Finance · Engineering · Humanities · Life Sciences · Life Sciences · Materials Science · Medicine & Health · Ocean & Atmospheric Science · Physics · Physics · Social Science
- Inferred from text
- Colloid and surface chemistry 76%
Provenance · 2 source records, 28 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Edmond | doi:10.17617/3.CCJE4H | 9 d ago | JSON v1 |
| Edmond | doi:10.17617/3.CCJE4H | 7 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
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| concepts[field].dataverse_subject:chemistry | source · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].dataverse_subject:physics | source · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].dataverse_subject:physics | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:astronomy | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:computer-science-ai | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:earth-environmental | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
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| concepts[field].local:field:economics-finance | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
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| concepts[field].local:field:physics | mapping · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:physics | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
| concepts[field].local:field:social-science | mapping · edmond mpg de | connector:edmond_mpg_de@1.0.0 | /subjects |
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| publication_date | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | |
| title | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | /name |
| updated_date | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 | |
| version_label | source · edmond mpdl mpg de | connector:edmond_mpdl_mpg_de@1.0.0 |