ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
Goodvibes_393_1atm.datDownload
Goodvibes_593_1atm.datDownload
zrcluster_1muOH_7O_1OH_bis.chkDownload
zrcluster_1muOH_7O_1OH_bis.gjfDownload
output.cmlDownload
Referenced by:

Manuscript title: Zr-Based MOF-545 Metal–Organic Framework Loaded with Highly Dispersed Small Size Ni Nanoparticles for CO2 Methanation

Journal: ACS Appl. Mater. Interfaces

DOI: 10.1021/acsami.3c18154

Metadata:

Title: Zr6cluster_1oh
Authors: Penas, Francesc
Keywords: CO2 hydrogenation
Carbon dioxide fixation
Density functional calculations
CO2 methanation
CO2 reduction
Metal-organic frameworks
MOF-545
Issue Date: 6-Nov-2023
Publisher: Laboratoire de Chimie des Processus Biologiques (LCPB), UMR CNRS 8229, Collège de France, PSL Research University, CNRS Sorbonne Université, 75231, Paris, France
Description: The inorganic cluster of MOF-545 substituting the organic linkers by formate without water and 3 terminal hydroxide ligands. Thermochemistry corrections done with GoodVibes.
URI: https://iochem-bd.bsc.es/browse/handle/100/313099
Appears in Collections:Zr6-cluster - DOI: 10.19061/iochem-bd-6-302



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/313099

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