Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space–charge theory

Jonathan M. Polfus, Kazuaki Toyoura, Fumiyasu Oba, Isao Tanaka, Reidar Haugsrud
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp41101f