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Following the dynamics of industrial catalysts under operando conditions.

作者信息

Van Speybroeck Veronique

机构信息

Center for Molecular Modeling, Ghent University, Zwijnaarde 9052, Belgium.

出版信息

Proc Natl Acad Sci U S A. 2024 Jan 9;121(2):e2319800121. doi: 10.1073/pnas.2319800121. Epub 2023 Dec 27.

DOI:10.1073/pnas.2319800121

PMID:38150478

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10786296/

Abstract

摘要

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b792/10786296/428897e0985d/pnas.2319800121fig01.jpg

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Following the dynamics of industrial catalysts under operando conditions.

作者信息

Van Speybroeck Veronique

机构信息

Center for Molecular Modeling, Ghent University, Zwijnaarde 9052, Belgium.

出版信息

Proc Natl Acad Sci U S A. 2024 Jan 9;121(2):e2319800121. doi: 10.1073/pnas.2319800121. Epub 2023 Dec 27.

DOI:10.1073/pnas.2319800121

PMID:38150478

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10786296/

Abstract

摘要

相似文献

Following the dynamics of industrial catalysts under operando conditions.

Proc Natl Acad Sci U S A. 2024 Jan 9;121(2):e2319800121. doi: 10.1073/pnas.2319800121. Epub 2023 Dec 27.

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JACS Au. 2021 Nov 4;1(12):2100-2120. doi: 10.1021/jacsau.1c00355. eCollection 2021 Dec 27.

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Rev Sci Instrum. 2023 May 1;94(5). doi: 10.1063/5.0083201.

Versatile Homebuilt Gas Feed and Analysis System for TEM of Catalysts at Work.

Microsc Microanal. 2020 Apr;26(2):220-228. doi: 10.1017/S143192762000015X.

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Chimia (Aarau). 2024 May 29;78(5):297-303. doi: 10.2533/chimia.2024.297.

本文引用的文献

Using machine learning to go beyond potential energy surface benchmarking for chemical reactivity.

Nat Comput Sci. 2023 Nov;3(11):965-974. doi: 10.1038/s43588-023-00549-5. Epub 2023 Nov 16.

The role of dynamics in heterogeneous catalysis: Surface diffusivity and N decomposition on Fe(111).

Proc Natl Acad Sci U S A. 2023 Dec 12;120(50):e2313023120. doi: 10.1073/pnas.2313023120. Epub 2023 Dec 7.

Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations.

ACS Catal. 2023 Aug 15;13(17):11455-11493. doi: 10.1021/acscatal.3c01945. eCollection 2023 Sep 1.

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Philos Trans A Math Phys Eng Sci. 2023 Jul 10;381(2250):20220239. doi: 10.1098/rsta.2022.0239. Epub 2023 May 22.

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J Phys Condens Matter. 2021 Feb 26;33(15). doi: 10.1088/1361-648X/abddfd.

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ACS Catal. 2019 Jun 7;9(6):5645-5650. doi: 10.1021/acscatal.9b00721. Epub 2019 May 22.

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Science. 2018 May 25;360(6391). doi: 10.1126/science.aar6611.

Dynamic multinuclear sites formed by mobilized copper ions in NO selective catalytic reduction.

Science. 2017 Sep 1;357(6354):898-903. doi: 10.1126/science.aan5630. Epub 2017 Aug 17.

Heterogeneities of individual catalyst particles in space and time as monitored by spectroscopy.

Nat Chem. 2012 Nov;4(11):873-86. doi: 10.1038/nchem.1478. Epub 2012 Oct 23.