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Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models.

作者信息

Urrego-Ortiz Ricardo, Builes Santiago, Calle-Vallejo Federico

机构信息

Departamento de Ingeniería de Procesos, Universidad EAFIT, Carrera 49 No 7 sur 50, 050022 Medellín, Colombia.

Department of Materials Science and Chemical Physics & Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain.

出版信息

ACS Catal. 2022 Apr 15;12(8):4784-4791. doi: 10.1021/acscatal.1c05333. Epub 2022 Apr 6.

DOI:10.1021/acscatal.1c05333
PMID:35465243
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9017217/
Abstract
摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/228f7615b0ee/cs1c05333_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/d0b97607f90e/cs1c05333_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/364d03e800a1/cs1c05333_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/e6f5151bd970/cs1c05333_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/52e9bebb84bc/cs1c05333_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/83baccae8028/cs1c05333_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/228f7615b0ee/cs1c05333_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/d0b97607f90e/cs1c05333_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/364d03e800a1/cs1c05333_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/e6f5151bd970/cs1c05333_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/52e9bebb84bc/cs1c05333_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/83baccae8028/cs1c05333_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3e6d/9017217/228f7615b0ee/cs1c05333_0006.jpg

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Disruption of the global nitrogen cycle: A grand challenge for the twenty-first century : This article belongs to Ambio's 50th Anniversary Collection. Theme: Eutrophication.
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