Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface
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...
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Sciendo
2020-12-01
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| Series: | Proceedings of the Latvian Academy of Sciences. Section B, Natural Sciences |
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| Online Access: | https://doi.org/10.2478/prolas-2020-0058 |
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doaj-be1e35f96a74434b9927a7370d0d4eb92021-09-05T14:01:15ZengSciendoProceedings of the Latvian Academy of Sciences. Section B, Natural Sciences1407-009X2020-12-0174639640310.2478/prolas-2020-0058Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) SurfaceKaptagay Gulbanu A.0Sandibaeva Nazira A.1Inerbaev Talgat M.2Mastrikov Yuri A.3Kotomin Eugene A.4Kazakh National Women’s Teacher Training University,Almaty050000, KazakhstanKazakh National Women’s Teacher Training University,Almaty050000, KazakhstanSobolev Institute of Geology and Mineralogy, Siberian Branch of the Russian Academy of Sciences, Novosibirsk 630090, RussiaInstitute of Solid State Physics, University of Latvia, 8 Ķengaraga Str., Rīga, LV-1063, LatviaInstitute of Solid State Physics, University of Latvia, 8 Ķengaraga Str., Rīga, LV-1063, LatviaRecent 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.https://doi.org/10.2478/prolas-2020-0058cobalt oxideoerelectrocatalystfirst principles calculations |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Kaptagay Gulbanu A. Sandibaeva Nazira A. Inerbaev Talgat M. Mastrikov Yuri A. Kotomin Eugene A. |
| spellingShingle |
Kaptagay Gulbanu A. Sandibaeva Nazira A. Inerbaev Talgat M. Mastrikov Yuri A. Kotomin Eugene A. Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface Proceedings of the Latvian Academy of Sciences. Section B, Natural Sciences cobalt oxide oer electrocatalyst first principles calculations |
| author_facet |
Kaptagay Gulbanu A. Sandibaeva Nazira A. Inerbaev Talgat M. Mastrikov Yuri A. Kotomin Eugene A. |
| author_sort |
Kaptagay Gulbanu A. |
| title |
Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface |
| title_short |
Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface |
| title_full |
Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface |
| title_fullStr |
Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface |
| title_full_unstemmed |
Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface |
| title_sort |
oxygen evolution reaction on a n-doped co0.5-terminated co3o4 (001) surface |
| publisher |
Sciendo |
| series |
Proceedings of the Latvian Academy of Sciences. Section B, Natural Sciences |
| issn |
1407-009X |
| publishDate |
2020-12-01 |
| description |
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. |
| topic |
cobalt oxide oer electrocatalyst first principles calculations |
| url |
https://doi.org/10.2478/prolas-2020-0058 |
| work_keys_str_mv |
AT kaptagaygulbanua oxygenevolutionreactiononandopedco05terminatedco3o4001surface AT sandibaevanaziraa oxygenevolutionreactiononandopedco05terminatedco3o4001surface AT inerbaevtalgatm oxygenevolutionreactiononandopedco05terminatedco3o4001surface AT mastrikovyuria oxygenevolutionreactiononandopedco05terminatedco3o4001surface AT kotomineugenea oxygenevolutionreactiononandopedco05terminatedco3o4001surface |
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