| dc.contributor.author | Kaptagay, G.A. | |
| dc.contributor.author | Mastrikov, Yuri A. | |
| dc.contributor.author | Kotomin, Eugene A. | |
| dc.date.accessioned | 2020-08-19T17:29:21Z | |
| dc.date.available | 2020-08-19T17:29:21Z | |
| dc.date.issued | 2018 | |
| dc.identifier.issn | 0868-8257 | |
| dc.identifier.uri | https://dspace.lu.lv/dspace/handle/7/52420 | |
| dc.description | The project Nr. AP05131211 “First Principles Investigation on Catalytic Properties of N-doped Co3O4” is supported by the Ministry of Education and Science of the Republic of Kazakhstan within the framework of the grant funding for scientific and (or) scientific and technical research for 2018-2020. The authors thank T. Inerbaev and A. Popov for fruitful discussions and valuable suggestions. Yu.M. thanks M.Putnina for the technical assistance in preparation of the manuscript. | en_US |
| dc.description.abstract | N-doped Co3O4 is a promising electrocatalyst. By means of first-principles calculations, various concentrations and spatial arrangements of NO atoms were modelled. Mutual interaction of the dopant atoms was analysed with respect to single NO atom. Charge redistribution, caused by doping, was calculated. | en_US |
| dc.description.sponsorship | Ministry of Education and Science of the Republic of Kazakhstan No. AP05131211; 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 | Sciendo | 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 | Latvian Journal of Physics and Technical Sciences;55 (5) | |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.subject | Research Subject Categories::NATURAL SCIENCES:Physics | en_US |
| dc.subject | Co3O4 | en_US |
| dc.subject | electrocatalyst | en_US |
| dc.subject | OER | en_US |
| dc.title | First-Principles Modelling of N-Doped Co3O4 | en_US |
| dc.type | info:eu-repo/semantics/article | en_US |
| dc.identifier.doi | 10.2478/lpts-2018-0034 | |
