Alternative Pathway of CO2 Hydrogenation by Lewis-Pair-Functionalized UiO-66 MOF Revealed by Metadynamics Simulations-Reference-Cited by-同舟云学术

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Alternative Pathway of CO2 Hydrogenation by Lewis-Pair-Functionalized UiO-66 MOF Revealed by Metadynamics Simulations

Published:2020-05-01 Issue:20 Volume:124 Page:10951-10960
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Heshmat Mojgan¹^ORCID

Affiliation:

1. Van’t Hoff Institute for Molecular Sciences, Universiteit van Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c01088

Reference39 articles.

1. Solar conversion of CO2 to CO using Earth-abundant electrocatalysts prepared by atomic layer modification of CuO

2. Visible-light-driven methane formation from CO2 with a molecular iron catalyst

3. Recent developments in the catalytic hydrogenation of CO2 to formic acid/formate using heterogeneous catalysts

4. A review of catalysts for the electroreduction of carbon dioxide to produce low-carbon fuels

5. Reversible, Metal-Free Hydrogen Activation

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1. Unraveling Lewis acid-base sites in defected MOFs for catalyzing dicyclopentadiene hydrogenation via a DFT study and descriptor exploration;Journal of Catalysis;2024-11

2. Advancing CO2 hydrogenation to formic Acid: DFT insights into Frustrated Lewis Pair−Functionalized UiO−67 catalysts;Journal of Catalysis;2024-08

3. Experimental and computational aspects of molecular frustrated Lewis pairs for CO₂ hydrogenation: en route for heterogeneous systems?;Chemical Society Reviews;2024

4. Catalytic Ring-Opening Polymerisation of Cyclic Ethylene Carbonate: Importance of Elementary Steps for Determining Polymer Properties Revealed via DFT-MTD Simulations Validated Using Kinetic Measurements;Polymers;2023-12-31

5. Enhancing CO₂ Hydrogenation Using a Heterogeneous Bimetal NiAl-Deposited Metal–Organic Framework NU-1000: Insights from First-Principles Calculations;Inorganic Chemistry;2023-12-28

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