Please use this identifier to cite or link to this item:
https://hdl.handle.net/2445/216334| Title: | Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models |
| Author: | Urrego-Ortiz, Ricardo Builes, Santiago Calle Vallejo, Federico |
| Keywords: | Nitrogen Adsorció Electrocatàlisi Nitrogen Adsorption Electrocatalysis |
| Issue Date: | 15-Apr-2022 |
| Publisher: | American Chemical Society |
| 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 |
| Note: | Reproducció del document publicat a: https://doi.org/10.1021/acscatal.1c05333 |
| It is part of: | ACS Catalysis, 2022, vol. 12, num.8, p. 4784-4791 |
| URI: | https://hdl.handle.net/2445/216334 |
| Related resource: | https://doi.org/10.1021/acscatal.1c05333 |
| ISSN: | 2155-5435 |
| Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 870026.pdf | 1.56 MB | Adobe PDF | View/Open |
This item is licensed under a
Creative Commons License
