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Oxygen evolution reaction on a N-doped Co0.5-terminated Co3O4 (001) surface
| dc.contributor.author | Kaptagay, Gulbanu A. | |
| dc.contributor.author | Sandibaeva, Nazira A. | |
| dc.contributor.author | Inerbaev, Talgat M. | |
| dc.contributor.author | Mastrikov, Yuri A. | |
| dc.contributor.author | Kotomin, Eugene A. | |
| dc.date.accessioned | 2021-05-11T11:13:10Z | |
| dc.date.available | 2021-05-11T11:13:10Z | |
| dc.date.issued | 2020 | |
| dc.identifier.issn | 1407-009X | |
| dc.identifier.uri | https://www.sciendo.com/article/10.2478/prolas-2020-0058 | |
| dc.identifier.uri | https://dspace.lu.lv/dspace/handle/7/54371 | |
| dc.description | The project AP05131211 “First principles investigation on catalytic properties of N-doped Co3O4.” was funded by the Ministry of Education and Science of the Republic of Kazakhstan. The work was partly supported by COST (European Cooperation in science and Technology) Action 18234 (YM and EK). The work of T. Inerbaev was performed under the state assignment of Sobolev Institute of Geology and Mineralogy Siberian Branch of the Russian Academy of Sciences. YM and EK thank Sun-to-Chem project of ERA Net. | en_US |
| dc.description.abstract | Recent experimental findings suggest that the catalytic activity of Co3O4 for oxygen evolution reaction (OER) could be improved by nitrogen doping. We present preliminary OER modelling on a N-doped Co3O4 surface, with varying concentration of the dopant and its spatial distribution around Cooct and Cotet adsorption sites. The overpotential was calculated for two adsorption sites on seven types of N-doped Co3O4 surface. The largest calculated overpotential value for a N-doped surface was ~1V. This work is licensed under a CC BY 4.0 license. | en_US |
| dc.description.sponsorship | Ministry of Education and Science of the Republic of Kazakhstan, project AP0513121; COST Action 18234; Sobolev Institute of Geology and Mineralogy Siberian Branch of the Russian Academy of Sciences; Sun-to-Chem project of ERA Net; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART². | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | De Gruyter, Latvian Academy of Sciences | en_US |
| dc.relation | info:eu-repo/grantAgreement/EC/H2020/739508/EU/Centre of Advanced Material Research and Technology Transfer/CAMART² | en_US |
| dc.relation.ispartofseries | Proceedings of the Latvian Academy of Sciences. Section B: Natural, Exact and Applied Sciences;74 (6) | |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.subject | Research Subject Categories::NATURAL SCIENCES:Physics | en_US |
| dc.subject | Cobalt oxide | en_US |
| dc.subject | OER | en_US |
| dc.subject | electrocatalyst | en_US |
| dc.subject | first principles calculations | en_US |
| dc.title | Oxygen evolution reaction on a N-doped Co0.5-terminated Co3O4 (001) surface | en_US |
| dc.type | info:eu-repo/semantics/article | en_US |
| dc.identifier.doi | 10.2478/prolas-2020-0058 |
