6533b827fe1ef96bd1285b18

RESEARCH PRODUCT

DFT modelling of oxygen adsorption on the Ag-doped LaMnO3 (001) surface

Eugene A. KotominSergei PiskunovYu. A. MastrikovA.u. AbuovaTalgat M. InerbaevAbdirash Akilbekov

subject

inorganic chemicalsMaterials scienceAg catalystchemistry.chemical_element02 engineering and technologySolid oxide fuel cells01 natural sciences7. Clean energyElectric chargeOxygenlaw.inventionoxygen adsorptionAdsorptionAb initio quantum chemistry methodslaw0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Materials ChemistryRedistribution (chemistry)Electrical and Electronic EngineeringLaMnO3010302 applied physicsab initio calculationsDoping021001 nanoscience & nanotechnologyCondensed Matter PhysicsCathodeElectronic Optical and Magnetic MaterialschemistryPhysical chemistryDensity functional theory0210 nano-technology

description

This study was partly financed by the State Education Development Agency of the Republic of Latvia via the Latvian State Scholarship (A.A.) and Latvia-Ukraine Project (Grant LV-UA/2018/2 to E.K.). The work of T.I. is performed under the state assignment of IGM SB RAS. Also, this research was partly supported by the Ministry of Education and Science of the Republic of Kazakhstan in the framework of the scientific and technology Program BR05236795 ‘‘Development of Hydrogen Energy Technologies in the Republic of Kazakhstan’’. The authors thank M. Sokolov for technical assistance and valuable suggestions.

yearjournalcountryeditionlanguage
2019-11-26Journal of Electronic Materials
https://doi.org/10.1007/s11664-019-07814-2