Interaction of PDA monomers with Au - Open Research Data - Bridge of Knowledge

Your account

login

Search

Interaction of PDA monomers with Au

Description

This dataset contains supplementary information in the form of Electrostatic difference potential (EDP) map, density of states (DOS) spectra, and adsorption geometries of polydopamine PDA monomers on the Au surface. PDA was modelled either as the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries.

Dataset file

3. SI - Interaction of PDA monometrs with Au.zip
1.1 GB, S3 ETag bb8d26da25d2c3b5bf99bd5caa704427-3, downloads: 65
The file hash is calculated from the formula
hexmd5(md5(part1)+md5(part2)+...)-{parts_count} where a single part of the file is 512 MB in size.

Example script for calculation:
https://github.com/antespi/s3md5
download file 3. SI - Interaction of PDA monometrs with Au.zip

File details

License:
Creative Commons: by 4.0 open in new tab
CC BY
Attribution
Raw data:
Data contained in dataset was not processed.
Software:
QuantumATK - Atomistic Simulation Software

Details

Year of publication:
2024
Verification date:
2024-02-08
Dataset language:
English
Fields of science:
  • chemical sciences (Natural sciences)
DOI:
DOI ID 10.34808/f6my-6p23 open in new tab
Funding:
Series:
Verified by:
Gdańsk University of Technology

Keywords

Cite as

Authors

seen 113 times