ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
CONTCARDownload
INCARDownload
output.cmlDownload

Metadata:

Title: /benchmark-defects-OH 2OH-doped-Ni(100)-3x3-CHCH2CH2CH3
Authors: Dattila, Federico
Keywords: Nickel oxide
Electrochemical CO₂ reduction
Strain
Green fuels
Polarization
Nickel oxygenates
Insertion mechanism
Hubbard
Density functional calculations
Electrochemical Fischer–Tropsch
O-doped Nickel
Nickel
Bader analysis
OH-doped Nickel
Issue Date: 19-Jan-2022
Publisher: Institute of Chemical Research of Catalonia
Description: DFT Energy: CHCH2CH2CH3 adsorption on 2OH-doped-Ni(100)-3x3.
URI: https://iochem-bd.iciq.es/browse/handle/100/35706
Appears in Collections:eFTS-nickel - DOI: 10.19061/iochem-bd-1-200



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/35706

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License