Modeling Adsorption and Optical Properties for the Design of CO<sub>2</sub> Photocatalytic Metal-Organic Frameworks

Modeling Adsorption and Optical Properties for the Design of CO<sub>2</sub> Photocatalytic Metal-Organic Frameworks

Four Metal-Organic Frameworks (MOFs) were modeled (IRMOF-C-BF<sub>2</sub>, IRMOF-C-(2)-BF<sub>2</sub>, IRMOF-C’-BF<sub>2</sub>, and IRMOF-C-CH<sub>2</sub>BF<sub>2</sub>) based on IRMOF-1. A series of linkers, based on Frustrated Lewis Pairs...

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Bibliographic Details
Main Authors: Priscila Chacón, Joseelyne G. Hernández-Lima, Adán Bazán-Jiménez, Marco A. García-Revilla
Format: Article
Language:English
Published: MDPI AG 2021-05-01
Series:Molecules
Subjects:
MOFs
photocatalysis
CO<sub>2</sub> reduction
environmental-remediation
bonding
QTAIM
Online Access:https://www.mdpi.com/1420-3049/26/10/3060

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https://www.mdpi.com/1420-3049/26/10/3060

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