Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol

Molecular interactions with both oxides and metals are essential for heterogenous catalysis, leading to remarkable impacts on activity. Here the authors show that a direct link between Cu and ZrO2 in a metal organic framework is required to hydrogenate CO2 to methanol.

Bibliographic Details
Main Authors:	Yifeng Zhu, Jian Zheng, Jingyun Ye, Yanran Cui, Katherine Koh, Libor Kovarik, Donald M. Camaioni, John L. Fulton, Donald G. Truhlar, Matthew Neurock, Christopher J. Cramer, Oliver Y. Gutiérrez, Johannes A. Lercher
Format:	Article
Language:	English
Published:	Nature Publishing Group 2020-11-01
Series:	Nature Communications
Online Access:	https://doi.org/10.1038/s41467-020-19438-w

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spelling	doaj-b9cc9b6c73f347d99c9579e5b1e6e42f2021-05-11T08:41:36ZengNature Publishing GroupNature Communications2041-17232020-11-0111111110.1038/s41467-020-19438-wCopper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanolYifeng Zhu0Jian Zheng1Jingyun Ye2Yanran Cui3Katherine Koh4Libor Kovarik5Donald M. Camaioni6John L. Fulton7Donald G. Truhlar8Matthew Neurock9Christopher J. Cramer10Oliver Y. Gutiérrez11Johannes A. Lercher12Institute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryInstitute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryDepartment of Chemistry, Minnesota Supercomputing Institute, Chemical Theory Center, and Inorganometallic Catalyst Design Center, University of MinnesotaInstitute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryInstitute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryWilliam R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National LaboratoryInstitute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryInstitute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryDepartment of Chemistry, Minnesota Supercomputing Institute, Chemical Theory Center, and Inorganometallic Catalyst Design Center, University of MinnesotaDepartment of Chemistry, Minnesota Supercomputing Institute, Chemical Theory Center, and Inorganometallic Catalyst Design Center, University of MinnesotaDepartment of Chemistry, Minnesota Supercomputing Institute, Chemical Theory Center, and Inorganometallic Catalyst Design Center, University of MinnesotaInstitute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryInstitute for Integrated Catalysis, and Physical and Computational Sciences Directorate, Pacific Northwest National LaboratoryMolecular interactions with both oxides and metals are essential for heterogenous catalysis, leading to remarkable impacts on activity. Here the authors show that a direct link between Cu and ZrO2 in a metal organic framework is required to hydrogenate CO2 to methanol.https://doi.org/10.1038/s41467-020-19438-w
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Yifeng Zhu Jian Zheng Jingyun Ye Yanran Cui Katherine Koh Libor Kovarik Donald M. Camaioni John L. Fulton Donald G. Truhlar Matthew Neurock Christopher J. Cramer Oliver Y. Gutiérrez Johannes A. Lercher
spellingShingle	Yifeng Zhu Jian Zheng Jingyun Ye Yanran Cui Katherine Koh Libor Kovarik Donald M. Camaioni John L. Fulton Donald G. Truhlar Matthew Neurock Christopher J. Cramer Oliver Y. Gutiérrez Johannes A. Lercher Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol Nature Communications
author_facet	Yifeng Zhu Jian Zheng Jingyun Ye Yanran Cui Katherine Koh Libor Kovarik Donald M. Camaioni John L. Fulton Donald G. Truhlar Matthew Neurock Christopher J. Cramer Oliver Y. Gutiérrez Johannes A. Lercher
author_sort	Yifeng Zhu
title	Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol
title_short	Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol
title_full	Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol
title_fullStr	Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol
title_full_unstemmed	Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol
title_sort	copper-zirconia interfaces in uio-66 enable selective catalytic hydrogenation of co2 to methanol
publisher	Nature Publishing Group
series	Nature Communications
issn	2041-1723
publishDate	2020-11-01
description	Molecular interactions with both oxides and metals are essential for heterogenous catalysis, leading to remarkable impacts on activity. Here the authors show that a direct link between Cu and ZrO2 in a metal organic framework is required to hydrogenate CO2 to methanol.
url	https://doi.org/10.1038/s41467-020-19438-w
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Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol

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