6533b7dcfe1ef96bd1272a21

RESEARCH PRODUCT

Ab initio calculations of CaZrO3 (011) surfaces: systematic trends in polar (011) surface calculations of ABO3 perovskites

Janis KleperisJuris PuransRoberts I. EglitisRan JiaRan JiaAnatoli I. Popov

subject

education.field_of_studyMaterials science020502 materialsMechanical EngineeringPopulationRelaxation (NMR)Ab initio02 engineering and technologyMolecular physicsCrystal0205 materials engineeringChemical bondMechanics of MaterialsAb initio quantum chemistry methods:NATURAL SCIENCES:Physics [Research Subject Categories]PolarGeneral Materials ScienceeducationPerovskite (structure)

description

Financial support via Latvian-Ukrainian Joint Research Project No. LV-UA/2018/2 for A. I. Popov, Latvian Council of Science Project No. 2018/2-0083 “Theoretical prediction of hybrid nanostructured photocatalytic materials for efficient water splitting” for R. I. Eglitis and J. Kleperis as well as ERAF project No. 1.1.1.1/18/A/073 for R. I. Eglitis and J. Purans is greatly acknowledged.

10.1007/s10853-019-04016-3http://dx.doi.org/10.1007/s10853-019-04016-3