Search results for "surface energies"

showing 1 items of 1 documents

Systematic trends in YAlO3, SrTiO3, BaTiO3, BaZrO3 (001) and (111) surface ab initio calculations

2019

We greatly acknowledge the financial support via Latvian-Ukrainian Joint Research Project No. LV-UA/2018/2, Latvian Council of Science Grant No. 2018/2-0083 “Theoretical prediction of hybrid nanostructured photocatalytic materials for efficient water splitting”, Latvian Council of Science Grant No. 2018/1-0214 as well as ERAF Project No. 1.1.1.1/18/A/073.

Surface (mathematics)Ab initio calculationB3LYPMaterials scienceStatistical and Nonlinear Physics02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter PhysicsYAlO301 natural sciencesMolecular physics0104 chemical sciencesAb initio quantum chemistry methods(111) surfaces:NATURAL SCIENCES:Physics [Research Subject Categories]surface energies0210 nano-technology
researchProduct