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

dc.contributor.author
Urrego-Ortiz, Ricardo
dc.contributor.author
Builes, Santiago
dc.contributor.author
Calle Vallejo, Federico
dc.date.issued
2024-11-11T07:03:35Z
dc.date.issued
2024-11-11T07:03:35Z
dc.date.issued
2022-04-15
dc.date.issued
2024-11-11T07:03:35Z
dc.identifier
2155-5435
dc.identifier
https://hdl.handle.net/2445/216334
dc.identifier
751540
dc.description.abstract
Oxidized nitrogen species can pollute both the atmosphere (1−3) and water bodies. (4−6) Their concentrations are worryingly increasing because of anthropogenic activities such as the combustion of fossil fuels and intensive agriculture. (7−11) An alternative to remediate their negative impact is to reduce them into unharmful molecular nitrogen (N2) or valuable ammonia (NH3), (12−14) thereby dynamizing the nitrogen cycle
dc.format
8 p.
dc.format
application/pdf
dc.language
eng
dc.publisher
American Chemical Society
dc.relation
Reproducció del document publicat a: https://doi.org/10.1021/acscatal.1c05333
dc.relation
ACS Catalysis, 2022, vol. 12, num.8, p. 4784-4791
dc.relation
https://doi.org/10.1021/acscatal.1c05333
dc.rights
cc-by (c) Urrego-Ortiz, Ricardo, et al., 2022
dc.rights
http://creativecommons.org/licenses/by/3.0/es/
dc.rights
info:eu-repo/semantics/openAccess
dc.source
Articles publicats en revistes (Ciència dels Materials i Química Física)
dc.subject
Nitrogen
dc.subject
Adsorció
dc.subject
Electrocatàlisi
dc.subject
Nitrogen
dc.subject
Adsorption
dc.subject
Electrocatalysis
dc.title
Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
dc.type
info:eu-repo/semantics/article
dc.type
info:eu-repo/semantics/publishedVersion


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