Quantification of nonstoichiometry in ceramic grain boundary

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Atomic and electronic structures of crystal interfaces are usually different from that in a single crystal. Thus, the polycrystalline materials can often bring about different properties from that of the single crystals. In this study, atomic structure, electronic structure, and nonstoichiometry in the vicinity of the interface were investigated by combining electron microscopy, spectroscopy, and theoretical calculation. Through this project, the site-by-site defect formation behaviors and relationships between the distortion, chemical bonding, and defect formation at the interface were revealed. I believe that the way for the materials design by controlling the interface nonstoichiometry is paved by this project.